USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 878 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 77 GLN : amide:sc= -1.18! C(o=-0.82!,f=-5.4!) USER MOD Set 1.2: A 78 HIS : no HE2:sc= 0.36 K(o=-0.82,f=-4) USER MOD Set 2.1: A 40 ASN : amide:sc= 1.03 K(o=2.3,f=-0.17) USER MOD Set 2.2: A 41 SER OG : rot 88:sc= 1.24 USER MOD Single : A 17 GLN : amide:sc= 1.17 K(o=1.2,f=-1) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0296 USER MOD Single : A 23 GLN : amide:sc= 0.466 K(o=0.47,f=-0.5) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.459 K(o=0.46,f=-6.1!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.298 USER MOD Single : A 32 GLN : amide:sc= -0.0171 K(o=-0.017,f=-8.3!) USER MOD Single : A 34 THR OG1 : rot -18:sc= 0.237 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.253 K(o=0.25,f=-4.6!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -79:sc= 0.302 USER MOD Single : A 72 SER OG : rot -55:sc= 1.32 USER MOD Single : A 83 MET CE :methyl -149:sc=-0.000273 (180deg=-0.731) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.17) USER MOD Single : A 98 ASN : amide:sc= 0.617 K(o=0.62,f=-7.9!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -162:sc= 1.23 (180deg=0.671) USER MOD Single : A 112 HIS : no HE2:sc= -2.84! C(o=-2.8!,f=-4.5!) USER MOD Single : A 113 CYS SG : rot 56:sc= 0.86 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -4.562 8.175 8.316 1.00 34.25 N ATOM 281 CA GLN A 17 -3.804 7.104 7.659 1.00 11.52 C ATOM 282 C GLN A 17 -2.315 7.427 7.576 1.00 23.24 C ATOM 283 O GLN A 17 -1.471 6.546 7.718 1.00 5.33 O ATOM 284 CB GLN A 17 -4.345 6.854 6.248 1.00 11.31 C ATOM 285 CG GLN A 17 -5.658 6.088 6.215 1.00 4.43 C ATOM 286 CD GLN A 17 -6.226 5.959 4.812 1.00 14.14 C ATOM 287 OE1 GLN A 17 -6.064 6.851 3.977 1.00 15.31 O ATOM 288 NE2 GLN A 17 -6.873 4.838 4.532 1.00 75.32 N ATOM 0 HA GLN A 17 -3.926 6.208 8.267 1.00 11.52 H new ATOM 0 HB2 GLN A 17 -4.483 7.813 5.748 1.00 11.31 H new ATOM 0 HB3 GLN A 17 -3.599 6.301 5.677 1.00 11.31 H new ATOM 0 HG2 GLN A 17 -5.504 5.093 6.633 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -6.385 6.593 6.852 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -6.987 4.122 5.250 1.00 75.32 H new ATOM 0 HE22 GLN A 17 -7.257 4.690 3.599 1.00 75.32 H new ATOM 297 N PHE A 18 -2.003 8.698 7.379 1.00 71.25 N ATOM 298 CA PHE A 18 -0.631 9.127 7.134 1.00 32.22 C ATOM 299 C PHE A 18 0.188 9.222 8.423 1.00 31.54 C ATOM 300 O PHE A 18 1.336 9.660 8.394 1.00 74.34 O ATOM 301 CB PHE A 18 -0.625 10.487 6.431 1.00 32.44 C ATOM 302 CG PHE A 18 -1.436 10.524 5.168 1.00 42.45 C ATOM 303 CD1 PHE A 18 -0.935 9.997 3.990 1.00 23.25 C ATOM 304 CD2 PHE A 18 -2.702 11.087 5.161 1.00 41.21 C ATOM 305 CE1 PHE A 18 -1.680 10.033 2.828 1.00 21.45 C ATOM 306 CE2 PHE A 18 -3.453 11.125 4.001 1.00 43.21 C ATOM 307 CZ PHE A 18 -2.942 10.598 2.833 1.00 14.00 C ATOM 0 H PHE A 18 -2.685 9.457 7.384 1.00 71.25 H new ATOM 0 HA PHE A 18 -0.168 8.371 6.499 1.00 32.22 H new ATOM 0 HB2 PHE A 18 -1.007 11.242 7.118 1.00 32.44 H new ATOM 0 HB3 PHE A 18 0.404 10.760 6.198 1.00 32.44 H new ATOM 0 HD1 PHE A 18 0.049 9.553 3.980 1.00 23.25 H new ATOM 0 HD2 PHE A 18 -3.107 11.501 6.073 1.00 41.21 H new ATOM 0 HE1 PHE A 18 -1.277 9.620 1.915 1.00 21.45 H new ATOM 0 HE2 PHE A 18 -4.439 11.567 4.009 1.00 43.21 H new ATOM 0 HZ PHE A 18 -3.526 10.627 1.925 1.00 14.00 H new ATOM 317 N THR A 19 -0.391 8.841 9.557 1.00 33.14 N ATOM 318 CA THR A 19 0.335 8.926 10.822 1.00 61.04 C ATOM 319 C THR A 19 0.008 7.762 11.761 1.00 22.54 C ATOM 320 O THR A 19 0.855 7.340 12.549 1.00 23.12 O ATOM 321 CB THR A 19 0.053 10.268 11.533 1.00 12.14 C ATOM 322 OG1 THR A 19 0.228 11.342 10.598 1.00 32.02 O ATOM 323 CG2 THR A 19 0.994 10.476 12.714 1.00 30.15 C ATOM 0 H THR A 19 -1.341 8.477 9.629 1.00 33.14 H new ATOM 0 HA THR A 19 1.395 8.866 10.575 1.00 61.04 H new ATOM 0 HB THR A 19 -0.971 10.250 11.907 1.00 12.14 H new ATOM 0 HG1 THR A 19 0.049 12.196 11.044 1.00 32.02 H new ATOM 0 HG21 THR A 19 0.771 11.429 13.194 1.00 30.15 H new ATOM 0 HG22 THR A 19 0.860 9.668 13.433 1.00 30.15 H new ATOM 0 HG23 THR A 19 2.025 10.480 12.361 1.00 30.15 H new ATOM 331 N PHE A 20 -1.207 7.234 11.662 1.00 53.32 N ATOM 332 CA PHE A 20 -1.652 6.146 12.532 1.00 71.24 C ATOM 333 C PHE A 20 -0.718 4.939 12.424 1.00 75.14 C ATOM 334 O PHE A 20 -0.288 4.377 13.432 1.00 4.31 O ATOM 335 CB PHE A 20 -3.084 5.745 12.162 1.00 61.31 C ATOM 336 CG PHE A 20 -3.772 4.906 13.197 1.00 11.44 C ATOM 337 CD1 PHE A 20 -3.815 5.314 14.520 1.00 3.41 C ATOM 338 CD2 PHE A 20 -4.386 3.716 12.846 1.00 31.25 C ATOM 339 CE1 PHE A 20 -4.454 4.550 15.474 1.00 10.33 C ATOM 340 CE2 PHE A 20 -5.028 2.948 13.796 1.00 20.31 C ATOM 341 CZ PHE A 20 -5.063 3.367 15.112 1.00 41.13 C ATOM 0 H PHE A 20 -1.906 7.542 10.986 1.00 53.32 H new ATOM 0 HA PHE A 20 -1.630 6.495 13.564 1.00 71.24 H new ATOM 0 HB2 PHE A 20 -3.671 6.648 11.993 1.00 61.31 H new ATOM 0 HB3 PHE A 20 -3.064 5.197 11.220 1.00 61.31 H new ATOM 0 HD1 PHE A 20 -3.342 6.241 14.808 1.00 3.41 H new ATOM 0 HD2 PHE A 20 -4.362 3.385 11.818 1.00 31.25 H new ATOM 0 HE1 PHE A 20 -4.477 4.878 16.503 1.00 10.33 H new ATOM 0 HE2 PHE A 20 -5.502 2.021 13.511 1.00 20.31 H new ATOM 0 HZ PHE A 20 -5.567 2.769 15.857 1.00 41.13 H new ATOM 351 N VAL A 21 -0.389 4.567 11.193 1.00 11.32 N ATOM 352 CA VAL A 21 0.476 3.418 10.935 1.00 42.22 C ATOM 353 C VAL A 21 1.926 3.870 10.729 1.00 44.11 C ATOM 354 O VAL A 21 2.810 3.072 10.418 1.00 53.13 O ATOM 355 CB VAL A 21 -0.017 2.640 9.690 1.00 40.14 C ATOM 356 CG1 VAL A 21 0.166 3.467 8.424 1.00 54.41 C ATOM 357 CG2 VAL A 21 0.686 1.294 9.569 1.00 50.01 C ATOM 0 H VAL A 21 -0.710 5.046 10.352 1.00 11.32 H new ATOM 0 HA VAL A 21 0.435 2.759 11.802 1.00 42.22 H new ATOM 0 HB VAL A 21 -1.083 2.449 9.816 1.00 40.14 H new ATOM 0 HG11 VAL A 21 -0.188 2.899 7.564 1.00 54.41 H new ATOM 0 HG12 VAL A 21 -0.405 4.392 8.508 1.00 54.41 H new ATOM 0 HG13 VAL A 21 1.222 3.703 8.293 1.00 54.41 H new ATOM 0 HG21 VAL A 21 0.320 0.770 8.686 1.00 50.01 H new ATOM 0 HG22 VAL A 21 1.761 1.452 9.478 1.00 50.01 H new ATOM 0 HG23 VAL A 21 0.481 0.696 10.457 1.00 50.01 H new ATOM 367 N PHE A 22 2.176 5.151 10.957 1.00 42.14 N ATOM 368 CA PHE A 22 3.471 5.747 10.653 1.00 71.42 C ATOM 369 C PHE A 22 4.454 5.551 11.812 1.00 72.12 C ATOM 370 O PHE A 22 5.492 6.208 11.878 1.00 21.02 O ATOM 371 CB PHE A 22 3.290 7.238 10.342 1.00 1.11 C ATOM 372 CG PHE A 22 4.427 7.856 9.578 1.00 20.24 C ATOM 373 CD1 PHE A 22 4.735 7.422 8.297 1.00 51.10 C ATOM 374 CD2 PHE A 22 5.189 8.867 10.140 1.00 64.51 C ATOM 375 CE1 PHE A 22 5.776 7.992 7.590 1.00 40.42 C ATOM 376 CE2 PHE A 22 6.231 9.440 9.436 1.00 65.44 C ATOM 377 CZ PHE A 22 6.528 9.000 8.162 1.00 65.41 C ATOM 0 H PHE A 22 1.497 5.801 11.353 1.00 42.14 H new ATOM 0 HA PHE A 22 3.889 5.248 9.779 1.00 71.42 H new ATOM 0 HB2 PHE A 22 2.371 7.368 9.770 1.00 1.11 H new ATOM 0 HB3 PHE A 22 3.162 7.779 11.279 1.00 1.11 H new ATOM 0 HD1 PHE A 22 4.155 6.630 7.847 1.00 51.10 H new ATOM 0 HD2 PHE A 22 4.966 9.211 11.139 1.00 64.51 H new ATOM 0 HE1 PHE A 22 6.002 7.650 6.591 1.00 40.42 H new ATOM 0 HE2 PHE A 22 6.813 10.232 9.883 1.00 65.44 H new ATOM 0 HZ PHE A 22 7.346 9.443 7.614 1.00 65.41 H new ATOM 387 N GLN A 23 4.127 4.631 12.717 1.00 12.31 N ATOM 388 CA GLN A 23 5.014 4.306 13.833 1.00 74.55 C ATOM 389 C GLN A 23 6.239 3.566 13.301 1.00 51.10 C ATOM 390 O GLN A 23 7.344 4.107 13.258 1.00 61.22 O ATOM 391 CB GLN A 23 4.292 3.432 14.870 1.00 64.42 C ATOM 392 CG GLN A 23 2.851 3.839 15.143 1.00 62.03 C ATOM 393 CD GLN A 23 2.714 5.279 15.590 1.00 23.33 C ATOM 394 OE1 GLN A 23 3.618 5.841 16.207 1.00 74.34 O ATOM 395 NE2 GLN A 23 1.578 5.882 15.279 1.00 43.03 N ATOM 0 H GLN A 23 3.257 4.099 12.700 1.00 12.31 H new ATOM 0 HA GLN A 23 5.320 5.232 14.320 1.00 74.55 H new ATOM 0 HB2 GLN A 23 4.306 2.397 14.527 1.00 64.42 H new ATOM 0 HB3 GLN A 23 4.849 3.465 15.806 1.00 64.42 H new ATOM 0 HG2 GLN A 23 2.260 3.688 14.240 1.00 62.03 H new ATOM 0 HG3 GLN A 23 2.434 3.186 15.910 1.00 62.03 H new ATOM 0 HE21 GLN A 23 0.856 5.376 14.766 1.00 43.03 H new ATOM 0 HE22 GLN A 23 1.424 6.853 15.552 1.00 43.03 H new ATOM 404 N GLN A 24 6.012 2.323 12.892 1.00 70.35 N ATOM 405 CA GLN A 24 7.010 1.516 12.201 1.00 41.33 C ATOM 406 C GLN A 24 6.302 0.615 11.194 1.00 75.12 C ATOM 407 O GLN A 24 6.122 -0.579 11.430 1.00 12.04 O ATOM 408 CB GLN A 24 7.833 0.664 13.177 1.00 52.14 C ATOM 409 CG GLN A 24 8.870 1.449 13.963 1.00 14.13 C ATOM 410 CD GLN A 24 9.732 0.560 14.837 1.00 14.23 C ATOM 411 OE1 GLN A 24 9.418 0.322 16.003 1.00 73.04 O ATOM 412 NE2 GLN A 24 10.812 0.044 14.272 1.00 62.52 N ATOM 0 H GLN A 24 5.123 1.843 13.032 1.00 70.35 H new ATOM 0 HA GLN A 24 7.703 2.186 11.692 1.00 41.33 H new ATOM 0 HB2 GLN A 24 7.155 0.176 13.877 1.00 52.14 H new ATOM 0 HB3 GLN A 24 8.337 -0.125 12.618 1.00 52.14 H new ATOM 0 HG2 GLN A 24 9.507 1.999 13.270 1.00 14.13 H new ATOM 0 HG3 GLN A 24 8.366 2.187 14.587 1.00 14.13 H new ATOM 0 HE21 GLN A 24 11.036 0.267 13.302 1.00 62.52 H new ATOM 0 HE22 GLN A 24 11.420 -0.577 14.806 1.00 62.52 H new ATOM 421 N PRO A 25 5.847 1.189 10.075 1.00 43.44 N ATOM 422 CA PRO A 25 5.074 0.453 9.077 1.00 11.22 C ATOM 423 C PRO A 25 5.929 -0.548 8.318 1.00 64.30 C ATOM 424 O PRO A 25 7.082 -0.268 7.986 1.00 62.42 O ATOM 425 CB PRO A 25 4.566 1.548 8.140 1.00 40.30 C ATOM 426 CG PRO A 25 5.565 2.645 8.262 1.00 35.21 C ATOM 427 CD PRO A 25 6.064 2.595 9.681 1.00 15.02 C ATOM 0 HA PRO A 25 4.276 -0.137 9.528 1.00 11.22 H new ATOM 0 HB2 PRO A 25 4.496 1.189 7.113 1.00 40.30 H new ATOM 0 HB3 PRO A 25 3.570 1.885 8.429 1.00 40.30 H new ATOM 0 HG2 PRO A 25 6.384 2.508 7.555 1.00 35.21 H new ATOM 0 HG3 PRO A 25 5.112 3.612 8.041 1.00 35.21 H new ATOM 0 HD2 PRO A 25 7.116 2.872 9.746 1.00 15.02 H new ATOM 0 HD3 PRO A 25 5.513 3.281 10.324 1.00 15.02 H new ATOM 435 N GLN A 26 5.373 -1.725 8.065 1.00 0.50 N ATOM 436 CA GLN A 26 6.063 -2.729 7.275 1.00 11.31 C ATOM 437 C GLN A 26 6.193 -2.254 5.838 1.00 63.05 C ATOM 438 O GLN A 26 5.205 -2.186 5.107 1.00 43.41 O ATOM 439 CB GLN A 26 5.336 -4.078 7.332 1.00 11.41 C ATOM 440 CG GLN A 26 5.739 -4.948 8.515 1.00 22.33 C ATOM 441 CD GLN A 26 5.529 -4.272 9.854 1.00 12.22 C ATOM 442 OE1 GLN A 26 6.415 -3.579 10.358 1.00 2.23 O ATOM 443 NE2 GLN A 26 4.361 -4.462 10.439 1.00 5.12 N ATOM 0 H GLN A 26 4.449 -2.005 8.395 1.00 0.50 H new ATOM 0 HA GLN A 26 7.058 -2.872 7.695 1.00 11.31 H new ATOM 0 HB2 GLN A 26 4.262 -3.899 7.375 1.00 11.41 H new ATOM 0 HB3 GLN A 26 5.531 -4.624 6.409 1.00 11.41 H new ATOM 0 HG2 GLN A 26 5.164 -5.874 8.489 1.00 22.33 H new ATOM 0 HG3 GLN A 26 6.789 -5.222 8.415 1.00 22.33 H new ATOM 0 HE21 GLN A 26 3.654 -5.043 9.989 1.00 5.12 H new ATOM 0 HE22 GLN A 26 4.166 -4.028 11.341 1.00 5.12 H new ATOM 452 N ARG A 27 7.407 -1.886 5.459 1.00 30.30 N ATOM 453 CA ARG A 27 7.680 -1.428 4.107 1.00 71.20 C ATOM 454 C ARG A 27 7.596 -2.611 3.151 1.00 4.34 C ATOM 455 O ARG A 27 8.528 -3.406 3.049 1.00 62.15 O ATOM 456 CB ARG A 27 9.068 -0.768 4.051 1.00 15.42 C ATOM 457 CG ARG A 27 9.282 0.178 2.869 1.00 42.13 C ATOM 458 CD ARG A 27 9.405 -0.567 1.546 1.00 25.11 C ATOM 459 NE ARG A 27 10.532 -1.495 1.534 1.00 34.33 N ATOM 460 CZ ARG A 27 10.725 -2.420 0.598 1.00 42.23 C ATOM 461 NH1 ARG A 27 9.884 -2.524 -0.427 1.00 75.40 N ATOM 462 NH2 ARG A 27 11.757 -3.247 0.691 1.00 63.34 N ATOM 0 H ARG A 27 8.222 -1.896 6.072 1.00 30.30 H new ATOM 0 HA ARG A 27 6.940 -0.685 3.808 1.00 71.20 H new ATOM 0 HB2 ARG A 27 9.228 -0.213 4.976 1.00 15.42 H new ATOM 0 HB3 ARG A 27 9.826 -1.551 4.013 1.00 15.42 H new ATOM 0 HG2 ARG A 27 8.449 0.879 2.812 1.00 42.13 H new ATOM 0 HG3 ARG A 27 10.184 0.767 3.037 1.00 42.13 H new ATOM 0 HD2 ARG A 27 8.483 -1.116 1.354 1.00 25.11 H new ATOM 0 HD3 ARG A 27 9.522 0.153 0.736 1.00 25.11 H new ATOM 0 HE ARG A 27 11.213 -1.430 2.290 1.00 34.33 H new ATOM 0 HH11 ARG A 27 9.086 -1.893 -0.498 1.00 75.40 H new ATOM 0 HH12 ARG A 27 10.037 -3.235 -1.142 1.00 75.40 H new ATOM 0 HH21 ARG A 27 12.401 -3.173 1.479 1.00 63.34 H new ATOM 0 HH22 ARG A 27 11.907 -3.957 -0.025 1.00 63.34 H new ATOM 476 N ALA A 28 6.466 -2.743 2.483 1.00 42.41 N ATOM 477 CA ALA A 28 6.253 -3.841 1.561 1.00 43.13 C ATOM 478 C ALA A 28 6.058 -3.319 0.146 1.00 1.52 C ATOM 479 O ALA A 28 6.164 -2.116 -0.106 1.00 40.23 O ATOM 480 CB ALA A 28 5.050 -4.668 1.996 1.00 11.44 C ATOM 0 H ALA A 28 5.678 -2.100 2.563 1.00 42.41 H new ATOM 0 HA ALA A 28 7.136 -4.480 1.571 1.00 43.13 H new ATOM 0 HB1 ALA A 28 4.901 -5.489 1.295 1.00 11.44 H new ATOM 0 HB2 ALA A 28 5.226 -5.070 2.994 1.00 11.44 H new ATOM 0 HB3 ALA A 28 4.161 -4.037 2.011 1.00 11.44 H new ATOM 486 N GLY A 29 5.778 -4.224 -0.774 1.00 63.45 N ATOM 487 CA GLY A 29 5.562 -3.840 -2.148 1.00 2.42 C ATOM 488 C GLY A 29 6.845 -3.840 -2.945 1.00 31.01 C ATOM 489 O GLY A 29 7.606 -4.809 -2.903 1.00 10.40 O ATOM 0 H GLY A 29 5.696 -5.224 -0.592 1.00 63.45 H new ATOM 0 HA2 GLY A 29 4.850 -4.525 -2.608 1.00 2.42 H new ATOM 0 HA3 GLY A 29 5.115 -2.846 -2.181 1.00 2.42 H new ATOM 493 N THR A 30 7.087 -2.752 -3.657 1.00 53.15 N ATOM 494 CA THR A 30 8.262 -2.626 -4.505 1.00 62.13 C ATOM 495 C THR A 30 8.935 -1.272 -4.281 1.00 4.12 C ATOM 496 O THR A 30 8.383 -0.411 -3.589 1.00 64.44 O ATOM 497 CB THR A 30 7.885 -2.760 -5.995 1.00 15.13 C ATOM 498 OG1 THR A 30 6.846 -1.829 -6.318 1.00 55.23 O ATOM 499 CG2 THR A 30 7.428 -4.174 -6.320 1.00 50.44 C ATOM 0 H THR A 30 6.478 -1.934 -3.664 1.00 53.15 H new ATOM 0 HA THR A 30 8.951 -3.428 -4.239 1.00 62.13 H new ATOM 0 HB THR A 30 8.771 -2.542 -6.592 1.00 15.13 H new ATOM 0 HG1 THR A 30 6.611 -1.917 -7.265 1.00 55.23 H new ATOM 0 HG21 THR A 30 7.169 -4.239 -7.377 1.00 50.44 H new ATOM 0 HG22 THR A 30 8.232 -4.876 -6.100 1.00 50.44 H new ATOM 0 HG23 THR A 30 6.555 -4.422 -5.716 1.00 50.44 H new ATOM 507 N PRO A 31 10.142 -1.068 -4.839 1.00 43.33 N ATOM 508 CA PRO A 31 10.824 0.228 -4.787 1.00 44.43 C ATOM 509 C PRO A 31 10.045 1.326 -5.513 1.00 54.11 C ATOM 510 O PRO A 31 10.186 2.508 -5.198 1.00 23.33 O ATOM 511 CB PRO A 31 12.160 -0.028 -5.494 1.00 73.41 C ATOM 512 CG PRO A 31 12.335 -1.507 -5.478 1.00 30.44 C ATOM 513 CD PRO A 31 10.952 -2.084 -5.535 1.00 12.31 C ATOM 0 HA PRO A 31 10.933 0.580 -3.761 1.00 44.43 H new ATOM 0 HB2 PRO A 31 12.145 0.355 -6.514 1.00 73.41 H new ATOM 0 HB3 PRO A 31 12.980 0.471 -4.978 1.00 73.41 H new ATOM 0 HG2 PRO A 31 12.932 -1.839 -6.327 1.00 30.44 H new ATOM 0 HG3 PRO A 31 12.856 -1.829 -4.576 1.00 30.44 H new ATOM 0 HD2 PRO A 31 10.618 -2.233 -6.562 1.00 12.31 H new ATOM 0 HD3 PRO A 31 10.898 -3.053 -5.039 1.00 12.31 H new ATOM 521 N GLN A 32 9.238 0.931 -6.496 1.00 11.22 N ATOM 522 CA GLN A 32 8.411 1.876 -7.242 1.00 15.14 C ATOM 523 C GLN A 32 7.156 2.230 -6.453 1.00 74.04 C ATOM 524 O GLN A 32 6.880 3.401 -6.191 1.00 50.32 O ATOM 525 CB GLN A 32 8.011 1.308 -8.612 1.00 54.53 C ATOM 526 CG GLN A 32 9.178 1.076 -9.564 1.00 40.24 C ATOM 527 CD GLN A 32 9.797 -0.307 -9.442 1.00 61.23 C ATOM 528 OE1 GLN A 32 9.782 -0.927 -8.378 1.00 14.23 O ATOM 529 NE2 GLN A 32 10.344 -0.802 -10.541 1.00 40.14 N ATOM 0 H GLN A 32 9.140 -0.039 -6.794 1.00 11.22 H new ATOM 0 HA GLN A 32 9.005 2.776 -7.399 1.00 15.14 H new ATOM 0 HB2 GLN A 32 7.488 0.364 -8.461 1.00 54.53 H new ATOM 0 HB3 GLN A 32 7.305 1.992 -9.083 1.00 54.53 H new ATOM 0 HG2 GLN A 32 8.835 1.222 -10.588 1.00 40.24 H new ATOM 0 HG3 GLN A 32 9.945 1.826 -9.374 1.00 40.24 H new ATOM 0 HE21 GLN A 32 10.337 -0.258 -11.404 1.00 40.14 H new ATOM 0 HE22 GLN A 32 10.773 -1.727 -10.525 1.00 40.14 H new ATOM 538 N ILE A 33 6.400 1.212 -6.074 1.00 43.22 N ATOM 539 CA ILE A 33 5.173 1.414 -5.318 1.00 53.23 C ATOM 540 C ILE A 33 5.248 0.674 -3.982 1.00 1.43 C ATOM 541 O ILE A 33 5.347 -0.556 -3.929 1.00 42.03 O ATOM 542 CB ILE A 33 3.928 0.980 -6.135 1.00 5.15 C ATOM 543 CG1 ILE A 33 2.655 1.115 -5.297 1.00 14.14 C ATOM 544 CG2 ILE A 33 4.080 -0.441 -6.664 1.00 73.13 C ATOM 545 CD1 ILE A 33 1.392 0.767 -6.056 1.00 4.13 C ATOM 0 H ILE A 33 6.614 0.236 -6.278 1.00 43.22 H new ATOM 0 HA ILE A 33 5.067 2.480 -5.114 1.00 53.23 H new ATOM 0 HB ILE A 33 3.845 1.646 -6.994 1.00 5.15 H new ATOM 0 HG12 ILE A 33 2.734 0.468 -4.423 1.00 14.14 H new ATOM 0 HG13 ILE A 33 2.578 2.138 -4.930 1.00 14.14 H new ATOM 0 HG21 ILE A 33 3.191 -0.715 -7.232 1.00 73.13 H new ATOM 0 HG22 ILE A 33 4.955 -0.497 -7.311 1.00 73.13 H new ATOM 0 HG23 ILE A 33 4.203 -1.129 -5.828 1.00 73.13 H new ATOM 0 HD11 ILE A 33 0.529 0.885 -5.400 1.00 4.13 H new ATOM 0 HD12 ILE A 33 1.289 1.431 -6.914 1.00 4.13 H new ATOM 0 HD13 ILE A 33 1.447 -0.266 -6.400 1.00 4.13 H new ATOM 557 N THR A 34 5.228 1.439 -2.903 1.00 62.21 N ATOM 558 CA THR A 34 5.455 0.902 -1.576 1.00 62.23 C ATOM 559 C THR A 34 4.158 0.805 -0.771 1.00 34.11 C ATOM 560 O THR A 34 3.409 1.772 -0.659 1.00 54.22 O ATOM 561 CB THR A 34 6.468 1.783 -0.824 1.00 75.31 C ATOM 562 OG1 THR A 34 7.716 1.788 -1.532 1.00 53.51 O ATOM 563 CG2 THR A 34 6.686 1.288 0.597 1.00 51.33 C ATOM 0 H THR A 34 5.055 2.444 -2.924 1.00 62.21 H new ATOM 0 HA THR A 34 5.852 -0.107 -1.690 1.00 62.23 H new ATOM 0 HB THR A 34 6.067 2.795 -0.770 1.00 75.31 H new ATOM 0 HG1 THR A 34 7.745 1.027 -2.149 1.00 53.51 H new ATOM 0 HG21 THR A 34 7.407 1.932 1.100 1.00 51.33 H new ATOM 0 HG22 THR A 34 5.740 1.309 1.139 1.00 51.33 H new ATOM 0 HG23 THR A 34 7.067 0.267 0.572 1.00 51.33 H new ATOM 571 N ILE A 35 3.904 -0.370 -0.215 1.00 71.02 N ATOM 572 CA ILE A 35 2.736 -0.580 0.624 1.00 75.55 C ATOM 573 C ILE A 35 3.164 -0.609 2.089 1.00 72.30 C ATOM 574 O ILE A 35 4.077 -1.347 2.458 1.00 43.50 O ATOM 575 CB ILE A 35 1.986 -1.898 0.278 1.00 61.14 C ATOM 576 CG1 ILE A 35 1.360 -1.840 -1.126 1.00 75.43 C ATOM 577 CG2 ILE A 35 0.908 -2.193 1.314 1.00 62.24 C ATOM 578 CD1 ILE A 35 2.354 -1.976 -2.260 1.00 23.45 C ATOM 0 H ILE A 35 4.494 -1.194 -0.331 1.00 71.02 H new ATOM 0 HA ILE A 35 2.048 0.245 0.441 1.00 75.55 H new ATOM 0 HB ILE A 35 2.721 -2.702 0.290 1.00 61.14 H new ATOM 0 HG12 ILE A 35 0.618 -2.633 -1.213 1.00 75.43 H new ATOM 0 HG13 ILE A 35 0.830 -0.894 -1.235 1.00 75.43 H new ATOM 0 HG21 ILE A 35 0.396 -3.119 1.053 1.00 62.24 H new ATOM 0 HG22 ILE A 35 1.367 -2.297 2.297 1.00 62.24 H new ATOM 0 HG23 ILE A 35 0.189 -1.374 1.334 1.00 62.24 H new ATOM 0 HD11 ILE A 35 1.828 -1.924 -3.213 1.00 23.45 H new ATOM 0 HD12 ILE A 35 3.083 -1.168 -2.204 1.00 23.45 H new ATOM 0 HD13 ILE A 35 2.868 -2.934 -2.181 1.00 23.45 H new ATOM 590 N LEU A 36 2.528 0.209 2.909 1.00 12.45 N ATOM 591 CA LEU A 36 2.833 0.251 4.332 1.00 2.20 C ATOM 592 C LEU A 36 1.704 -0.391 5.123 1.00 75.11 C ATOM 593 O LEU A 36 0.545 0.007 4.994 1.00 35.24 O ATOM 594 CB LEU A 36 3.040 1.696 4.790 1.00 3.31 C ATOM 595 CG LEU A 36 4.174 2.448 4.091 1.00 61.03 C ATOM 596 CD1 LEU A 36 4.235 3.887 4.574 1.00 1.32 C ATOM 597 CD2 LEU A 36 5.505 1.753 4.331 1.00 31.52 C ATOM 0 H LEU A 36 1.795 0.855 2.615 1.00 12.45 H new ATOM 0 HA LEU A 36 3.753 -0.305 4.510 1.00 2.20 H new ATOM 0 HB2 LEU A 36 2.112 2.246 4.634 1.00 3.31 H new ATOM 0 HB3 LEU A 36 3.234 1.695 5.863 1.00 3.31 H new ATOM 0 HG LEU A 36 3.974 2.450 3.020 1.00 61.03 H new ATOM 0 HD11 LEU A 36 5.047 4.407 4.066 1.00 1.32 H new ATOM 0 HD12 LEU A 36 3.291 4.385 4.353 1.00 1.32 H new ATOM 0 HD13 LEU A 36 4.410 3.903 5.650 1.00 1.32 H new ATOM 0 HD21 LEU A 36 6.299 2.303 3.826 1.00 31.52 H new ATOM 0 HD22 LEU A 36 5.711 1.720 5.401 1.00 31.52 H new ATOM 0 HD23 LEU A 36 5.461 0.737 3.939 1.00 31.52 H new ATOM 609 N GLY A 37 2.032 -1.392 5.928 1.00 61.40 N ATOM 610 CA GLY A 37 1.004 -2.091 6.669 1.00 71.34 C ATOM 611 C GLY A 37 1.383 -2.390 8.107 1.00 13.21 C ATOM 612 O GLY A 37 2.498 -2.838 8.385 1.00 42.20 O ATOM 0 H GLY A 37 2.982 -1.730 6.080 1.00 61.40 H new ATOM 0 HA2 GLY A 37 0.092 -1.493 6.660 1.00 71.34 H new ATOM 0 HA3 GLY A 37 0.776 -3.028 6.161 1.00 71.34 H new ATOM 616 N ARG A 38 0.450 -2.103 9.013 1.00 64.13 N ATOM 617 CA ARG A 38 0.539 -2.490 10.421 1.00 1.21 C ATOM 618 C ARG A 38 -0.706 -2.004 11.158 1.00 34.33 C ATOM 619 O ARG A 38 -0.662 -1.017 11.894 1.00 21.43 O ATOM 620 CB ARG A 38 1.797 -1.934 11.116 1.00 41.02 C ATOM 621 CG ARG A 38 1.899 -2.356 12.578 1.00 44.44 C ATOM 622 CD ARG A 38 3.057 -1.687 13.299 1.00 40.01 C ATOM 623 NE ARG A 38 4.351 -2.178 12.843 1.00 64.33 N ATOM 624 CZ ARG A 38 5.218 -2.822 13.624 1.00 42.45 C ATOM 625 NH1 ARG A 38 4.939 -3.050 14.902 1.00 24.34 N ATOM 626 NH2 ARG A 38 6.373 -3.236 13.129 1.00 21.05 N ATOM 0 H ARG A 38 -0.401 -1.588 8.787 1.00 64.13 H new ATOM 0 HA ARG A 38 0.608 -3.577 10.454 1.00 1.21 H new ATOM 0 HB2 ARG A 38 2.683 -2.276 10.581 1.00 41.02 H new ATOM 0 HB3 ARG A 38 1.789 -0.846 11.056 1.00 41.02 H new ATOM 0 HG2 ARG A 38 0.968 -2.112 13.089 1.00 44.44 H new ATOM 0 HG3 ARG A 38 2.018 -3.438 12.633 1.00 44.44 H new ATOM 0 HD2 ARG A 38 3.005 -0.609 13.144 1.00 40.01 H new ATOM 0 HD3 ARG A 38 2.963 -1.860 14.371 1.00 40.01 H new ATOM 0 HE ARG A 38 4.608 -2.020 11.869 1.00 64.33 H new ATOM 0 HH11 ARG A 38 4.054 -2.731 15.295 1.00 24.34 H new ATOM 0 HH12 ARG A 38 5.610 -3.544 15.490 1.00 24.34 H new ATOM 0 HH21 ARG A 38 6.600 -3.062 12.150 1.00 21.05 H new ATOM 0 HH22 ARG A 38 7.037 -3.729 13.727 1.00 21.05 H new ATOM 640 N LEU A 39 -1.829 -2.661 10.912 1.00 44.31 N ATOM 641 CA LEU A 39 -3.074 -2.308 11.576 1.00 55.14 C ATOM 642 C LEU A 39 -3.824 -3.566 11.984 1.00 42.41 C ATOM 643 O LEU A 39 -3.570 -4.644 11.453 1.00 65.44 O ATOM 644 CB LEU A 39 -3.971 -1.441 10.675 1.00 72.32 C ATOM 645 CG LEU A 39 -3.433 -0.051 10.317 1.00 43.43 C ATOM 646 CD1 LEU A 39 -2.580 -0.103 9.057 1.00 74.42 C ATOM 647 CD2 LEU A 39 -4.580 0.935 10.150 1.00 53.15 C ATOM 0 H LEU A 39 -1.904 -3.440 10.258 1.00 44.31 H new ATOM 0 HA LEU A 39 -2.822 -1.727 12.463 1.00 55.14 H new ATOM 0 HB2 LEU A 39 -4.154 -1.986 9.749 1.00 72.32 H new ATOM 0 HB3 LEU A 39 -4.935 -1.318 11.169 1.00 72.32 H new ATOM 0 HG LEU A 39 -2.800 0.290 11.136 1.00 43.43 H new ATOM 0 HD11 LEU A 39 -2.211 0.896 8.826 1.00 74.42 H new ATOM 0 HD12 LEU A 39 -1.736 -0.774 9.217 1.00 74.42 H new ATOM 0 HD13 LEU A 39 -3.182 -0.469 8.225 1.00 74.42 H new ATOM 0 HD21 LEU A 39 -4.181 1.917 9.896 1.00 53.15 H new ATOM 0 HD22 LEU A 39 -5.240 0.594 9.352 1.00 53.15 H new ATOM 0 HD23 LEU A 39 -5.141 1.001 11.082 1.00 53.15 H new ATOM 659 N ASN A 40 -4.733 -3.426 12.935 1.00 24.54 N ATOM 660 CA ASN A 40 -5.574 -4.534 13.365 1.00 74.30 C ATOM 661 C ASN A 40 -6.802 -3.992 14.080 1.00 61.43 C ATOM 662 O ASN A 40 -6.848 -2.809 14.419 1.00 20.12 O ATOM 663 CB ASN A 40 -4.802 -5.500 14.279 1.00 42.22 C ATOM 664 CG ASN A 40 -4.538 -4.940 15.667 1.00 22.34 C ATOM 665 OD1 ASN A 40 -5.342 -5.121 16.584 1.00 53.43 O ATOM 666 ND2 ASN A 40 -3.405 -4.276 15.837 1.00 4.12 N ATOM 0 H ASN A 40 -4.909 -2.550 13.427 1.00 24.54 H new ATOM 0 HA ASN A 40 -5.886 -5.094 12.484 1.00 74.30 H new ATOM 0 HB2 ASN A 40 -5.365 -6.429 14.372 1.00 42.22 H new ATOM 0 HB3 ASN A 40 -3.851 -5.750 13.810 1.00 42.22 H new ATOM 0 HD21 ASN A 40 -3.171 -3.893 16.753 1.00 4.12 H new ATOM 0 HD22 ASN A 40 -2.766 -4.148 15.052 1.00 4.12 H new ATOM 673 N SER A 41 -7.802 -4.852 14.267 1.00 54.12 N ATOM 674 CA SER A 41 -9.048 -4.493 14.950 1.00 62.40 C ATOM 675 C SER A 41 -9.840 -3.446 14.156 1.00 43.22 C ATOM 676 O SER A 41 -10.771 -2.828 14.678 1.00 13.45 O ATOM 677 CB SER A 41 -8.758 -3.977 16.366 1.00 63.42 C ATOM 678 OG SER A 41 -7.975 -4.906 17.101 1.00 52.43 O ATOM 0 H SER A 41 -7.773 -5.821 13.949 1.00 54.12 H new ATOM 0 HA SER A 41 -9.657 -5.394 15.021 1.00 62.40 H new ATOM 0 HB2 SER A 41 -8.235 -3.022 16.308 1.00 63.42 H new ATOM 0 HB3 SER A 41 -9.697 -3.795 16.889 1.00 63.42 H new ATOM 0 HG SER A 41 -7.024 -4.735 16.937 1.00 52.43 H new ATOM 684 N LEU A 42 -9.486 -3.273 12.887 1.00 13.51 N ATOM 685 CA LEU A 42 -10.125 -2.268 12.049 1.00 63.33 C ATOM 686 C LEU A 42 -11.345 -2.868 11.351 1.00 50.01 C ATOM 687 O LEU A 42 -12.482 -2.483 11.625 1.00 25.13 O ATOM 688 CB LEU A 42 -9.123 -1.725 11.018 1.00 52.33 C ATOM 689 CG LEU A 42 -9.276 -0.239 10.656 1.00 42.13 C ATOM 690 CD1 LEU A 42 -10.642 0.047 10.056 1.00 63.21 C ATOM 691 CD2 LEU A 42 -9.043 0.635 11.879 1.00 72.31 C ATOM 0 H LEU A 42 -8.761 -3.816 12.418 1.00 13.51 H new ATOM 0 HA LEU A 42 -10.457 -1.440 12.676 1.00 63.33 H new ATOM 0 HB2 LEU A 42 -8.115 -1.885 11.400 1.00 52.33 H new ATOM 0 HB3 LEU A 42 -9.215 -2.313 10.105 1.00 52.33 H new ATOM 0 HG LEU A 42 -8.523 -0.001 9.905 1.00 42.13 H new ATOM 0 HD11 LEU A 42 -10.717 1.107 9.811 1.00 63.21 H new ATOM 0 HD12 LEU A 42 -10.773 -0.545 9.150 1.00 63.21 H new ATOM 0 HD13 LEU A 42 -11.418 -0.215 10.776 1.00 63.21 H new ATOM 0 HD21 LEU A 42 -9.155 1.684 11.604 1.00 72.31 H new ATOM 0 HD22 LEU A 42 -9.770 0.382 12.651 1.00 72.31 H new ATOM 0 HD23 LEU A 42 -8.036 0.466 12.260 1.00 72.31 H new ATOM 703 N GLY A 43 -11.105 -3.813 10.450 1.00 12.41 N ATOM 704 CA GLY A 43 -12.197 -4.483 9.771 1.00 34.44 C ATOM 705 C GLY A 43 -12.587 -3.819 8.462 1.00 74.41 C ATOM 706 O GLY A 43 -13.330 -4.396 7.670 1.00 73.40 O ATOM 0 H GLY A 43 -10.174 -4.127 10.178 1.00 12.41 H new ATOM 0 HA2 GLY A 43 -11.914 -5.517 9.576 1.00 34.44 H new ATOM 0 HA3 GLY A 43 -13.065 -4.509 10.430 1.00 34.44 H new ATOM 710 N HIS A 44 -12.096 -2.609 8.232 1.00 50.12 N ATOM 711 CA HIS A 44 -12.428 -1.873 7.015 1.00 43.12 C ATOM 712 C HIS A 44 -11.167 -1.390 6.310 1.00 40.24 C ATOM 713 O HIS A 44 -10.582 -0.382 6.700 1.00 24.33 O ATOM 714 CB HIS A 44 -13.337 -0.676 7.326 1.00 21.14 C ATOM 715 CG HIS A 44 -14.735 -1.053 7.707 1.00 62.22 C ATOM 716 ND1 HIS A 44 -15.250 -0.880 8.976 1.00 33.45 N ATOM 717 CD2 HIS A 44 -15.740 -1.577 6.968 1.00 64.14 C ATOM 718 CE1 HIS A 44 -16.507 -1.280 8.996 1.00 60.14 C ATOM 719 NE2 HIS A 44 -16.829 -1.711 7.793 1.00 61.11 N ATOM 0 H HIS A 44 -11.469 -2.116 8.868 1.00 50.12 H new ATOM 0 HA HIS A 44 -12.962 -2.556 6.354 1.00 43.12 H new ATOM 0 HB2 HIS A 44 -12.894 -0.098 8.137 1.00 21.14 H new ATOM 0 HB3 HIS A 44 -13.373 -0.024 6.453 1.00 21.14 H new ATOM 0 HD2 HIS A 44 -15.694 -1.841 5.922 1.00 64.14 H new ATOM 0 HE1 HIS A 44 -17.162 -1.258 9.854 1.00 60.14 H new ATOM 0 HE2 HIS A 44 -17.738 -2.083 7.520 1.00 61.11 H new ATOM 728 N PRO A 45 -10.717 -2.126 5.285 1.00 4.41 N ATOM 729 CA PRO A 45 -9.565 -1.743 4.473 1.00 50.44 C ATOM 730 C PRO A 45 -9.920 -0.681 3.434 1.00 50.44 C ATOM 731 O PRO A 45 -10.984 -0.736 2.805 1.00 15.53 O ATOM 732 CB PRO A 45 -9.158 -3.047 3.765 1.00 52.41 C ATOM 733 CG PRO A 45 -10.072 -4.111 4.292 1.00 73.12 C ATOM 734 CD PRO A 45 -11.277 -3.402 4.839 1.00 52.31 C ATOM 0 HA PRO A 45 -8.774 -1.309 5.084 1.00 50.44 H new ATOM 0 HB2 PRO A 45 -9.256 -2.950 2.684 1.00 52.41 H new ATOM 0 HB3 PRO A 45 -8.116 -3.292 3.970 1.00 52.41 H new ATOM 0 HG2 PRO A 45 -10.356 -4.806 3.501 1.00 73.12 H new ATOM 0 HG3 PRO A 45 -9.580 -4.696 5.069 1.00 73.12 H new ATOM 0 HD2 PRO A 45 -12.047 -3.264 4.079 1.00 52.31 H new ATOM 0 HD3 PRO A 45 -11.735 -3.954 5.660 1.00 52.31 H new ATOM 742 N ARG A 46 -9.044 0.295 3.274 1.00 40.23 N ATOM 743 CA ARG A 46 -9.190 1.296 2.232 1.00 1.22 C ATOM 744 C ARG A 46 -8.003 1.228 1.286 1.00 14.44 C ATOM 745 O ARG A 46 -7.185 0.312 1.373 1.00 11.00 O ATOM 746 CB ARG A 46 -9.291 2.696 2.839 1.00 62.44 C ATOM 747 CG ARG A 46 -10.502 2.882 3.734 1.00 50.31 C ATOM 748 CD ARG A 46 -11.782 2.527 2.997 1.00 13.13 C ATOM 749 NE ARG A 46 -12.977 2.783 3.798 1.00 74.34 N ATOM 750 CZ ARG A 46 -13.988 1.928 3.918 1.00 23.15 C ATOM 751 NH1 ARG A 46 -13.902 0.712 3.385 1.00 41.13 N ATOM 752 NH2 ARG A 46 -15.076 2.279 4.596 1.00 21.42 N ATOM 0 H ARG A 46 -8.217 0.416 3.858 1.00 40.23 H new ATOM 0 HA ARG A 46 -10.107 1.092 1.679 1.00 1.22 H new ATOM 0 HB2 ARG A 46 -8.389 2.899 3.415 1.00 62.44 H new ATOM 0 HB3 ARG A 46 -9.328 3.430 2.034 1.00 62.44 H new ATOM 0 HG2 ARG A 46 -10.403 2.256 4.621 1.00 50.31 H new ATOM 0 HG3 ARG A 46 -10.550 3.915 4.077 1.00 50.31 H new ATOM 0 HD2 ARG A 46 -11.837 3.103 2.073 1.00 13.13 H new ATOM 0 HD3 ARG A 46 -11.756 1.474 2.715 1.00 13.13 H new ATOM 0 HE ARG A 46 -13.039 3.671 4.295 1.00 74.34 H new ATOM 0 HH11 ARG A 46 -13.059 0.434 2.883 1.00 41.13 H new ATOM 0 HH12 ARG A 46 -14.679 0.058 3.479 1.00 41.13 H new ATOM 0 HH21 ARG A 46 -15.135 3.203 5.023 1.00 21.42 H new ATOM 0 HH22 ARG A 46 -15.852 1.624 4.689 1.00 21.42 H new ATOM 766 N ILE A 47 -7.909 2.186 0.378 1.00 1.10 N ATOM 767 CA ILE A 47 -6.773 2.256 -0.520 1.00 24.20 C ATOM 768 C ILE A 47 -6.105 3.630 -0.415 1.00 54.13 C ATOM 769 O ILE A 47 -6.419 4.566 -1.154 1.00 22.33 O ATOM 770 CB ILE A 47 -7.167 1.919 -1.985 1.00 74.03 C ATOM 771 CG1 ILE A 47 -5.921 1.914 -2.880 1.00 42.22 C ATOM 772 CG2 ILE A 47 -8.241 2.867 -2.526 1.00 30.24 C ATOM 773 CD1 ILE A 47 -6.222 1.749 -4.350 1.00 75.44 C ATOM 0 H ILE A 47 -8.603 2.922 0.245 1.00 1.10 H new ATOM 0 HA ILE A 47 -6.052 1.498 -0.214 1.00 24.20 H new ATOM 0 HB ILE A 47 -7.604 0.920 -1.992 1.00 74.03 H new ATOM 0 HG12 ILE A 47 -5.377 2.847 -2.733 1.00 42.22 H new ATOM 0 HG13 ILE A 47 -5.261 1.107 -2.562 1.00 42.22 H new ATOM 0 HG21 ILE A 47 -8.484 2.593 -3.553 1.00 30.24 H new ATOM 0 HG22 ILE A 47 -9.136 2.793 -1.909 1.00 30.24 H new ATOM 0 HG23 ILE A 47 -7.868 3.891 -2.502 1.00 30.24 H new ATOM 0 HD11 ILE A 47 -5.290 1.756 -4.915 1.00 75.44 H new ATOM 0 HD12 ILE A 47 -6.738 0.803 -4.512 1.00 75.44 H new ATOM 0 HD13 ILE A 47 -6.856 2.570 -4.686 1.00 75.44 H new ATOM 785 N GLY A 48 -5.200 3.757 0.544 1.00 74.35 N ATOM 786 CA GLY A 48 -4.547 5.027 0.779 1.00 10.40 C ATOM 787 C GLY A 48 -3.412 5.286 -0.192 1.00 0.51 C ATOM 788 O GLY A 48 -2.254 5.398 0.216 1.00 22.40 O ATOM 0 H GLY A 48 -4.906 3.002 1.164 1.00 74.35 H new ATOM 0 HA2 GLY A 48 -5.280 5.829 0.698 1.00 10.40 H new ATOM 0 HA3 GLY A 48 -4.161 5.050 1.798 1.00 10.40 H new ATOM 792 N LEU A 49 -3.738 5.376 -1.475 1.00 3.54 N ATOM 793 CA LEU A 49 -2.734 5.616 -2.502 1.00 60.51 C ATOM 794 C LEU A 49 -2.227 7.051 -2.424 1.00 34.14 C ATOM 795 O LEU A 49 -2.946 8.001 -2.740 1.00 50.33 O ATOM 796 CB LEU A 49 -3.297 5.329 -3.897 1.00 60.24 C ATOM 797 CG LEU A 49 -2.281 5.453 -5.038 1.00 53.42 C ATOM 798 CD1 LEU A 49 -1.149 4.453 -4.863 1.00 64.04 C ATOM 799 CD2 LEU A 49 -2.960 5.259 -6.385 1.00 21.42 C ATOM 0 H LEU A 49 -4.690 5.286 -1.829 1.00 3.54 H new ATOM 0 HA LEU A 49 -1.900 4.937 -2.324 1.00 60.51 H new ATOM 0 HB2 LEU A 49 -3.711 4.321 -3.906 1.00 60.24 H new ATOM 0 HB3 LEU A 49 -4.123 6.014 -4.088 1.00 60.24 H new ATOM 0 HG LEU A 49 -1.858 6.457 -5.008 1.00 53.42 H new ATOM 0 HD11 LEU A 49 -0.440 4.559 -5.684 1.00 64.04 H new ATOM 0 HD12 LEU A 49 -0.640 4.641 -3.918 1.00 64.04 H new ATOM 0 HD13 LEU A 49 -1.554 3.441 -4.862 1.00 64.04 H new ATOM 0 HD21 LEU A 49 -2.221 5.351 -7.181 1.00 21.42 H new ATOM 0 HD22 LEU A 49 -3.415 4.269 -6.424 1.00 21.42 H new ATOM 0 HD23 LEU A 49 -3.731 6.018 -6.516 1.00 21.42 H new ATOM 811 N THR A 50 -0.989 7.194 -1.996 1.00 1.34 N ATOM 812 CA THR A 50 -0.371 8.492 -1.847 1.00 34.01 C ATOM 813 C THR A 50 0.534 8.788 -3.035 1.00 74.02 C ATOM 814 O THR A 50 1.632 8.237 -3.150 1.00 61.02 O ATOM 815 CB THR A 50 0.442 8.561 -0.541 1.00 10.32 C ATOM 816 OG1 THR A 50 -0.363 8.097 0.553 1.00 24.54 O ATOM 817 CG2 THR A 50 0.910 9.984 -0.264 1.00 40.00 C ATOM 0 H THR A 50 -0.385 6.412 -1.742 1.00 1.34 H new ATOM 0 HA THR A 50 -1.161 9.242 -1.807 1.00 34.01 H new ATOM 0 HB THR A 50 1.320 7.925 -0.649 1.00 10.32 H new ATOM 0 HG1 THR A 50 0.157 8.140 1.383 1.00 24.54 H new ATOM 0 HG21 THR A 50 1.482 10.005 0.664 1.00 40.00 H new ATOM 0 HG22 THR A 50 1.539 10.327 -1.086 1.00 40.00 H new ATOM 0 HG23 THR A 50 0.045 10.640 -0.172 1.00 40.00 H new ATOM 825 N VAL A 51 0.050 9.632 -3.933 1.00 23.23 N ATOM 826 CA VAL A 51 0.818 10.039 -5.098 1.00 35.14 C ATOM 827 C VAL A 51 0.614 11.528 -5.373 1.00 1.13 C ATOM 828 O VAL A 51 -0.500 11.982 -5.662 1.00 52.30 O ATOM 829 CB VAL A 51 0.457 9.190 -6.346 1.00 32.15 C ATOM 830 CG1 VAL A 51 -1.044 9.190 -6.612 1.00 2.55 C ATOM 831 CG2 VAL A 51 1.220 9.674 -7.570 1.00 2.43 C ATOM 0 H VAL A 51 -0.878 10.051 -3.876 1.00 23.23 H new ATOM 0 HA VAL A 51 1.872 9.865 -4.883 1.00 35.14 H new ATOM 0 HB VAL A 51 0.755 8.162 -6.138 1.00 32.15 H new ATOM 0 HG11 VAL A 51 -1.257 8.585 -7.493 1.00 2.55 H new ATOM 0 HG12 VAL A 51 -1.566 8.773 -5.751 1.00 2.55 H new ATOM 0 HG13 VAL A 51 -1.383 10.212 -6.782 1.00 2.55 H new ATOM 0 HG21 VAL A 51 0.950 9.064 -8.432 1.00 2.43 H new ATOM 0 HG22 VAL A 51 0.966 10.715 -7.769 1.00 2.43 H new ATOM 0 HG23 VAL A 51 2.291 9.591 -7.387 1.00 2.43 H new ATOM 841 N ALA A 52 1.692 12.290 -5.252 1.00 22.32 N ATOM 842 CA ALA A 52 1.634 13.731 -5.410 1.00 21.54 C ATOM 843 C ALA A 52 2.229 14.165 -6.742 1.00 41.13 C ATOM 844 O ALA A 52 2.734 13.341 -7.508 1.00 45.40 O ATOM 845 CB ALA A 52 2.364 14.408 -4.260 1.00 2.25 C ATOM 0 H ALA A 52 2.622 11.928 -5.043 1.00 22.32 H new ATOM 0 HA ALA A 52 0.587 14.033 -5.398 1.00 21.54 H new ATOM 0 HB1 ALA A 52 2.316 15.490 -4.385 1.00 2.25 H new ATOM 0 HB2 ALA A 52 1.893 14.131 -3.317 1.00 2.25 H new ATOM 0 HB3 ALA A 52 3.406 14.089 -4.253 1.00 2.25 H new ATOM 851 N LYS A 53 2.189 15.469 -6.997 1.00 31.33 N ATOM 852 CA LYS A 53 2.686 16.042 -8.249 1.00 40.43 C ATOM 853 C LYS A 53 4.214 15.994 -8.318 1.00 64.50 C ATOM 854 O LYS A 53 4.822 16.466 -9.280 1.00 25.14 O ATOM 855 CB LYS A 53 2.202 17.489 -8.380 1.00 42.12 C ATOM 856 CG LYS A 53 0.687 17.626 -8.416 1.00 4.33 C ATOM 857 CD LYS A 53 0.254 19.078 -8.265 1.00 3.41 C ATOM 858 CE LYS A 53 0.564 19.612 -6.872 1.00 0.11 C ATOM 859 NZ LYS A 53 0.112 21.018 -6.698 1.00 42.23 N ATOM 0 H LYS A 53 1.813 16.158 -6.346 1.00 31.33 H new ATOM 0 HA LYS A 53 2.295 15.447 -9.075 1.00 40.43 H new ATOM 0 HB2 LYS A 53 2.591 18.070 -7.544 1.00 42.12 H new ATOM 0 HB3 LYS A 53 2.619 17.921 -9.290 1.00 42.12 H new ATOM 0 HG2 LYS A 53 0.307 17.228 -9.357 1.00 4.33 H new ATOM 0 HG3 LYS A 53 0.248 17.029 -7.617 1.00 4.33 H new ATOM 0 HD2 LYS A 53 0.761 19.689 -9.011 1.00 3.41 H new ATOM 0 HD3 LYS A 53 -0.816 19.162 -8.458 1.00 3.41 H new ATOM 0 HE2 LYS A 53 0.080 18.981 -6.126 1.00 0.11 H new ATOM 0 HE3 LYS A 53 1.637 19.552 -6.692 1.00 0.11 H new ATOM 0 HZ1 LYS A 53 0.343 21.340 -5.737 1.00 42.23 H new ATOM 0 HZ2 LYS A 53 0.593 21.626 -7.392 1.00 42.23 H new ATOM 0 HZ3 LYS A 53 -0.916 21.073 -6.844 1.00 42.23 H new ATOM 873 N LYS A 54 4.824 15.430 -7.289 1.00 35.51 N ATOM 874 CA LYS A 54 6.268 15.275 -7.241 1.00 11.15 C ATOM 875 C LYS A 54 6.641 13.797 -7.306 1.00 53.41 C ATOM 876 O LYS A 54 7.813 13.431 -7.244 1.00 72.14 O ATOM 877 CB LYS A 54 6.816 15.934 -5.972 1.00 64.23 C ATOM 878 CG LYS A 54 6.134 15.472 -4.693 1.00 73.30 C ATOM 879 CD LYS A 54 6.287 16.500 -3.584 1.00 20.15 C ATOM 880 CE LYS A 54 7.745 16.723 -3.213 1.00 32.13 C ATOM 881 NZ LYS A 54 7.908 17.870 -2.283 1.00 45.03 N ATOM 0 H LYS A 54 4.336 15.069 -6.469 1.00 35.51 H new ATOM 0 HA LYS A 54 6.716 15.769 -8.103 1.00 11.15 H new ATOM 0 HB2 LYS A 54 7.883 15.726 -5.898 1.00 64.23 H new ATOM 0 HB3 LYS A 54 6.707 17.015 -6.060 1.00 64.23 H new ATOM 0 HG2 LYS A 54 5.076 15.296 -4.886 1.00 73.30 H new ATOM 0 HG3 LYS A 54 6.562 14.522 -4.373 1.00 73.30 H new ATOM 0 HD2 LYS A 54 5.845 17.444 -3.901 1.00 20.15 H new ATOM 0 HD3 LYS A 54 5.735 16.169 -2.704 1.00 20.15 H new ATOM 0 HE2 LYS A 54 8.145 15.820 -2.751 1.00 32.13 H new ATOM 0 HE3 LYS A 54 8.327 16.902 -4.117 1.00 32.13 H new ATOM 0 HZ1 LYS A 54 8.915 17.990 -2.053 1.00 45.03 H new ATOM 0 HZ2 LYS A 54 7.550 18.736 -2.734 1.00 45.03 H new ATOM 0 HZ3 LYS A 54 7.373 17.688 -1.410 1.00 45.03 H new ATOM 895 N ASN A 55 5.630 12.949 -7.432 1.00 60.53 N ATOM 896 CA ASN A 55 5.848 11.519 -7.610 1.00 61.43 C ATOM 897 C ASN A 55 5.460 11.138 -9.030 1.00 65.14 C ATOM 898 O ASN A 55 5.999 10.195 -9.619 1.00 15.24 O ATOM 899 CB ASN A 55 5.017 10.710 -6.604 1.00 35.02 C ATOM 900 CG ASN A 55 5.255 11.134 -5.165 1.00 14.13 C ATOM 901 OD1 ASN A 55 4.574 12.017 -4.647 1.00 24.25 O ATOM 902 ND2 ASN A 55 6.213 10.501 -4.506 1.00 34.13 N ATOM 0 H ASN A 55 4.649 13.226 -7.414 1.00 60.53 H new ATOM 0 HA ASN A 55 6.900 11.293 -7.436 1.00 61.43 H new ATOM 0 HB2 ASN A 55 3.959 10.823 -6.840 1.00 35.02 H new ATOM 0 HB3 ASN A 55 5.256 9.652 -6.710 1.00 35.02 H new ATOM 0 HD21 ASN A 55 6.407 10.741 -3.534 1.00 34.13 H new ATOM 0 HD22 ASN A 55 6.757 9.774 -4.970 1.00 34.13 H new ATOM 909 N VAL A 56 4.528 11.911 -9.572 1.00 40.14 N ATOM 910 CA VAL A 56 4.030 11.723 -10.924 1.00 42.43 C ATOM 911 C VAL A 56 4.114 13.055 -11.669 1.00 34.04 C ATOM 912 O VAL A 56 4.086 14.113 -11.040 1.00 54.12 O ATOM 913 CB VAL A 56 2.568 11.215 -10.895 1.00 12.04 C ATOM 914 CG1 VAL A 56 1.618 12.291 -10.388 1.00 3.24 C ATOM 915 CG2 VAL A 56 2.135 10.707 -12.256 1.00 63.13 C ATOM 0 H VAL A 56 4.094 12.692 -9.080 1.00 40.14 H new ATOM 0 HA VAL A 56 4.637 10.976 -11.437 1.00 42.43 H new ATOM 0 HB VAL A 56 2.526 10.378 -10.198 1.00 12.04 H new ATOM 0 HG11 VAL A 56 0.600 11.903 -10.380 1.00 3.24 H new ATOM 0 HG12 VAL A 56 1.904 12.582 -9.377 1.00 3.24 H new ATOM 0 HG13 VAL A 56 1.670 13.160 -11.044 1.00 3.24 H new ATOM 0 HG21 VAL A 56 1.104 10.357 -12.203 1.00 63.13 H new ATOM 0 HG22 VAL A 56 2.207 11.514 -12.985 1.00 63.13 H new ATOM 0 HG23 VAL A 56 2.782 9.884 -12.560 1.00 63.13 H new ATOM 925 N ARG A 57 4.232 13.020 -12.991 1.00 14.01 N ATOM 926 CA ARG A 57 4.385 14.250 -13.756 1.00 30.53 C ATOM 927 C ARG A 57 3.060 14.695 -14.367 1.00 61.50 C ATOM 928 O ARG A 57 2.676 15.860 -14.258 1.00 11.25 O ATOM 929 CB ARG A 57 5.433 14.081 -14.857 1.00 73.02 C ATOM 930 CG ARG A 57 5.676 15.354 -15.650 1.00 54.01 C ATOM 931 CD ARG A 57 6.679 15.143 -16.770 1.00 13.41 C ATOM 932 NE ARG A 57 6.921 16.377 -17.516 1.00 31.40 N ATOM 933 CZ ARG A 57 7.652 16.452 -18.626 1.00 55.13 C ATOM 934 NH1 ARG A 57 8.205 15.363 -19.143 1.00 63.11 N ATOM 935 NH2 ARG A 57 7.822 17.623 -19.225 1.00 34.14 N ATOM 0 H ARG A 57 4.225 12.166 -13.549 1.00 14.01 H new ATOM 0 HA ARG A 57 4.721 15.022 -13.063 1.00 30.53 H new ATOM 0 HB2 ARG A 57 6.372 13.754 -14.410 1.00 73.02 H new ATOM 0 HB3 ARG A 57 5.112 13.292 -15.537 1.00 73.02 H new ATOM 0 HG2 ARG A 57 4.733 15.706 -16.069 1.00 54.01 H new ATOM 0 HG3 ARG A 57 6.038 16.134 -14.981 1.00 54.01 H new ATOM 0 HD2 ARG A 57 7.618 14.779 -16.354 1.00 13.41 H new ATOM 0 HD3 ARG A 57 6.311 14.373 -17.448 1.00 13.41 H new ATOM 0 HE ARG A 57 6.502 17.237 -17.163 1.00 31.40 H new ATOM 0 HH11 ARG A 57 8.072 14.459 -18.690 1.00 63.11 H new ATOM 0 HH12 ARG A 57 8.764 15.429 -19.994 1.00 63.11 H new ATOM 0 HH21 ARG A 57 7.393 18.462 -18.835 1.00 34.14 H new ATOM 0 HH22 ARG A 57 8.381 17.684 -20.076 1.00 34.14 H new ATOM 949 N ARG A 58 2.372 13.773 -15.024 1.00 70.13 N ATOM 950 CA ARG A 58 1.108 14.088 -15.674 1.00 74.31 C ATOM 951 C ARG A 58 -0.071 13.658 -14.813 1.00 14.43 C ATOM 952 O ARG A 58 0.006 12.668 -14.085 1.00 4.41 O ATOM 953 CB ARG A 58 1.016 13.389 -17.029 1.00 4.42 C ATOM 954 CG ARG A 58 2.102 13.784 -18.014 1.00 14.05 C ATOM 955 CD ARG A 58 2.071 12.880 -19.234 1.00 52.05 C ATOM 956 NE ARG A 58 3.073 13.250 -20.226 1.00 33.15 N ATOM 957 CZ ARG A 58 3.745 12.377 -20.970 1.00 72.43 C ATOM 958 NH1 ARG A 58 3.587 11.069 -20.785 1.00 45.02 N ATOM 959 NH2 ARG A 58 4.599 12.810 -21.882 1.00 45.12 N ATOM 0 H ARG A 58 2.667 12.801 -15.121 1.00 70.13 H new ATOM 0 HA ARG A 58 1.070 15.168 -15.815 1.00 74.31 H new ATOM 0 HB2 ARG A 58 1.060 12.311 -16.872 1.00 4.42 H new ATOM 0 HB3 ARG A 58 0.044 13.608 -17.472 1.00 4.42 H new ATOM 0 HG2 ARG A 58 1.964 14.821 -18.319 1.00 14.05 H new ATOM 0 HG3 ARG A 58 3.078 13.721 -17.532 1.00 14.05 H new ATOM 0 HD2 ARG A 58 2.236 11.848 -18.923 1.00 52.05 H new ATOM 0 HD3 ARG A 58 1.081 12.922 -19.689 1.00 52.05 H new ATOM 0 HE ARG A 58 3.271 14.242 -20.358 1.00 33.15 H new ATOM 0 HH11 ARG A 58 2.946 10.729 -20.068 1.00 45.02 H new ATOM 0 HH12 ARG A 58 4.107 10.406 -21.360 1.00 45.02 H new ATOM 0 HH21 ARG A 58 4.741 13.812 -22.013 1.00 45.12 H new ATOM 0 HH22 ARG A 58 5.116 12.142 -22.454 1.00 45.12 H new ATOM 973 N ALA A 59 -1.169 14.396 -14.914 1.00 2.02 N ATOM 974 CA ALA A 59 -2.394 14.038 -14.217 1.00 72.03 C ATOM 975 C ALA A 59 -2.931 12.708 -14.735 1.00 13.04 C ATOM 976 O ALA A 59 -3.452 11.894 -13.972 1.00 13.53 O ATOM 977 CB ALA A 59 -3.434 15.133 -14.385 1.00 0.01 C ATOM 0 H ALA A 59 -1.235 15.247 -15.473 1.00 2.02 H new ATOM 0 HA ALA A 59 -2.172 13.930 -13.155 1.00 72.03 H new ATOM 0 HB1 ALA A 59 -4.346 14.852 -13.858 1.00 0.01 H new ATOM 0 HB2 ALA A 59 -3.050 16.066 -13.973 1.00 0.01 H new ATOM 0 HB3 ALA A 59 -3.653 15.267 -15.444 1.00 0.01 H new ATOM 983 N HIS A 60 -2.784 12.491 -16.038 1.00 51.23 N ATOM 984 CA HIS A 60 -3.198 11.238 -16.660 1.00 42.02 C ATOM 985 C HIS A 60 -2.434 10.054 -16.078 1.00 73.32 C ATOM 986 O HIS A 60 -3.014 9.000 -15.828 1.00 42.33 O ATOM 987 CB HIS A 60 -2.997 11.288 -18.173 1.00 23.32 C ATOM 988 CG HIS A 60 -4.234 11.661 -18.931 1.00 1.05 C ATOM 989 ND1 HIS A 60 -4.446 12.911 -19.472 1.00 64.34 N ATOM 990 CD2 HIS A 60 -5.327 10.927 -19.250 1.00 71.24 C ATOM 991 CE1 HIS A 60 -5.614 12.929 -20.086 1.00 35.51 C ATOM 992 NE2 HIS A 60 -6.167 11.739 -19.968 1.00 41.41 N ATOM 0 H HIS A 60 -2.380 13.168 -16.685 1.00 51.23 H new ATOM 0 HA HIS A 60 -4.259 11.105 -16.449 1.00 42.02 H new ATOM 0 HB2 HIS A 60 -2.210 12.006 -18.403 1.00 23.32 H new ATOM 0 HB3 HIS A 60 -2.650 10.314 -18.517 1.00 23.32 H new ATOM 0 HD2 HIS A 60 -5.504 9.894 -18.988 1.00 71.24 H new ATOM 0 HE1 HIS A 60 -6.044 13.777 -20.599 1.00 35.51 H new ATOM 0 HE2 HIS A 60 -7.073 11.466 -20.349 1.00 41.41 H new ATOM 1001 N GLU A 61 -1.136 10.237 -15.856 1.00 50.15 N ATOM 1002 CA GLU A 61 -0.301 9.186 -15.281 1.00 24.42 C ATOM 1003 C GLU A 61 -0.735 8.893 -13.847 1.00 50.51 C ATOM 1004 O GLU A 61 -0.725 7.744 -13.403 1.00 75.25 O ATOM 1005 CB GLU A 61 1.172 9.599 -15.296 1.00 4.14 C ATOM 1006 CG GLU A 61 1.700 9.979 -16.670 1.00 21.45 C ATOM 1007 CD GLU A 61 3.095 10.572 -16.604 1.00 15.15 C ATOM 1008 OE1 GLU A 61 3.366 11.355 -15.672 1.00 75.10 O ATOM 1009 OE2 GLU A 61 3.922 10.265 -17.488 1.00 31.31 O ATOM 0 H GLU A 61 -0.639 11.103 -16.065 1.00 50.15 H new ATOM 0 HA GLU A 61 -0.421 8.287 -15.885 1.00 24.42 H new ATOM 0 HB2 GLU A 61 1.307 10.444 -14.621 1.00 4.14 H new ATOM 0 HB3 GLU A 61 1.772 8.778 -14.903 1.00 4.14 H new ATOM 0 HG2 GLU A 61 1.712 9.096 -17.310 1.00 21.45 H new ATOM 0 HG3 GLU A 61 1.023 10.698 -17.132 1.00 21.45 H new ATOM 1016 N ARG A 62 -1.124 9.942 -13.134 1.00 30.21 N ATOM 1017 CA ARG A 62 -1.581 9.814 -11.755 1.00 72.03 C ATOM 1018 C ARG A 62 -2.865 8.990 -11.689 1.00 45.44 C ATOM 1019 O ARG A 62 -2.965 8.034 -10.917 1.00 52.34 O ATOM 1020 CB ARG A 62 -1.818 11.201 -11.154 1.00 70.42 C ATOM 1021 CG ARG A 62 -2.157 11.186 -9.672 1.00 50.01 C ATOM 1022 CD ARG A 62 -2.472 12.586 -9.175 1.00 51.34 C ATOM 1023 NE ARG A 62 -2.727 12.628 -7.735 1.00 35.53 N ATOM 1024 CZ ARG A 62 -3.846 13.122 -7.194 1.00 53.14 C ATOM 1025 NH1 ARG A 62 -4.854 13.500 -7.973 1.00 52.32 N ATOM 1026 NH2 ARG A 62 -3.964 13.212 -5.874 1.00 62.42 N ATOM 0 H ARG A 62 -1.132 10.898 -13.490 1.00 30.21 H new ATOM 0 HA ARG A 62 -0.811 9.301 -11.180 1.00 72.03 H new ATOM 0 HB2 ARG A 62 -0.925 11.808 -11.305 1.00 70.42 H new ATOM 0 HB3 ARG A 62 -2.629 11.686 -11.696 1.00 70.42 H new ATOM 0 HG2 ARG A 62 -3.012 10.533 -9.497 1.00 50.01 H new ATOM 0 HG3 ARG A 62 -1.320 10.775 -9.107 1.00 50.01 H new ATOM 0 HD2 ARG A 62 -1.639 13.248 -9.412 1.00 51.34 H new ATOM 0 HD3 ARG A 62 -3.344 12.968 -9.706 1.00 51.34 H new ATOM 0 HE ARG A 62 -2.011 12.260 -7.108 1.00 35.53 H new ATOM 0 HH11 ARG A 62 -4.776 13.414 -8.986 1.00 52.32 H new ATOM 0 HH12 ARG A 62 -5.706 13.876 -7.558 1.00 52.32 H new ATOM 0 HH21 ARG A 62 -3.201 12.904 -5.272 1.00 62.42 H new ATOM 0 HH22 ARG A 62 -4.818 13.589 -5.463 1.00 62.42 H new ATOM 1040 N ASN A 63 -3.838 9.361 -12.518 1.00 63.21 N ATOM 1041 CA ASN A 63 -5.121 8.660 -12.574 1.00 1.42 C ATOM 1042 C ASN A 63 -4.935 7.245 -13.111 1.00 63.12 C ATOM 1043 O ASN A 63 -5.697 6.335 -12.775 1.00 4.42 O ATOM 1044 CB ASN A 63 -6.116 9.435 -13.446 1.00 74.45 C ATOM 1045 CG ASN A 63 -6.470 10.785 -12.852 1.00 13.33 C ATOM 1046 OD1 ASN A 63 -6.506 10.950 -11.631 1.00 42.34 O ATOM 1047 ND2 ASN A 63 -6.722 11.764 -13.705 1.00 34.15 N ATOM 0 H ASN A 63 -3.763 10.147 -13.164 1.00 63.21 H new ATOM 0 HA ASN A 63 -5.522 8.595 -11.563 1.00 1.42 H new ATOM 0 HB2 ASN A 63 -5.691 9.578 -14.440 1.00 74.45 H new ATOM 0 HB3 ASN A 63 -7.024 8.845 -13.569 1.00 74.45 H new ATOM 0 HD21 ASN A 63 -6.956 12.694 -13.359 1.00 34.15 H new ATOM 0 HD22 ASN A 63 -6.682 11.588 -14.709 1.00 34.15 H new ATOM 1054 N ARG A 64 -3.911 7.075 -13.938 1.00 61.14 N ATOM 1055 CA ARG A 64 -3.532 5.769 -14.464 1.00 30.40 C ATOM 1056 C ARG A 64 -3.223 4.806 -13.318 1.00 4.14 C ATOM 1057 O ARG A 64 -3.701 3.672 -13.296 1.00 65.53 O ATOM 1058 CB ARG A 64 -2.308 5.928 -15.374 1.00 31.22 C ATOM 1059 CG ARG A 64 -1.806 4.642 -16.013 1.00 24.20 C ATOM 1060 CD ARG A 64 -2.739 4.142 -17.102 1.00 12.14 C ATOM 1061 NE ARG A 64 -2.115 3.077 -17.886 1.00 24.33 N ATOM 1062 CZ ARG A 64 -2.755 2.315 -18.772 1.00 23.34 C ATOM 1063 NH1 ARG A 64 -4.043 2.507 -19.029 1.00 2.34 N ATOM 1064 NH2 ARG A 64 -2.086 1.373 -19.421 1.00 34.23 N ATOM 0 H ARG A 64 -3.319 7.839 -14.263 1.00 61.14 H new ATOM 0 HA ARG A 64 -4.359 5.356 -15.042 1.00 30.40 H new ATOM 0 HB2 ARG A 64 -2.553 6.637 -16.165 1.00 31.22 H new ATOM 0 HB3 ARG A 64 -1.497 6.367 -14.793 1.00 31.22 H new ATOM 0 HG2 ARG A 64 -0.815 4.810 -16.435 1.00 24.20 H new ATOM 0 HG3 ARG A 64 -1.700 3.874 -15.246 1.00 24.20 H new ATOM 0 HD2 ARG A 64 -3.662 3.774 -16.653 1.00 12.14 H new ATOM 0 HD3 ARG A 64 -3.012 4.968 -17.758 1.00 12.14 H new ATOM 0 HE ARG A 64 -1.120 2.905 -17.745 1.00 24.33 H new ATOM 0 HH11 ARG A 64 -4.555 3.245 -18.546 1.00 2.34 H new ATOM 0 HH12 ARG A 64 -4.521 1.916 -19.710 1.00 2.34 H new ATOM 0 HH21 ARG A 64 -1.091 1.237 -19.240 1.00 34.23 H new ATOM 0 HH22 ARG A 64 -2.566 0.784 -20.101 1.00 34.23 H new ATOM 1078 N ILE A 65 -2.437 5.280 -12.354 1.00 4.05 N ATOM 1079 CA ILE A 65 -2.063 4.472 -11.197 1.00 60.41 C ATOM 1080 C ILE A 65 -3.249 4.322 -10.240 1.00 73.44 C ATOM 1081 O ILE A 65 -3.427 3.277 -9.604 1.00 34.01 O ATOM 1082 CB ILE A 65 -0.868 5.101 -10.440 1.00 45.41 C ATOM 1083 CG1 ILE A 65 0.310 5.342 -11.395 1.00 55.52 C ATOM 1084 CG2 ILE A 65 -0.434 4.220 -9.275 1.00 44.02 C ATOM 1085 CD1 ILE A 65 0.850 4.083 -12.047 1.00 62.21 C ATOM 0 H ILE A 65 -2.046 6.222 -12.352 1.00 4.05 H new ATOM 0 HA ILE A 65 -1.768 3.489 -11.564 1.00 60.41 H new ATOM 0 HB ILE A 65 -1.193 6.061 -10.038 1.00 45.41 H new ATOM 0 HG12 ILE A 65 -0.005 6.035 -12.175 1.00 55.52 H new ATOM 0 HG13 ILE A 65 1.116 5.827 -10.844 1.00 55.52 H new ATOM 0 HG21 ILE A 65 0.407 4.685 -8.761 1.00 44.02 H new ATOM 0 HG22 ILE A 65 -1.265 4.102 -8.579 1.00 44.02 H new ATOM 0 HG23 ILE A 65 -0.133 3.242 -9.651 1.00 44.02 H new ATOM 0 HD11 ILE A 65 1.679 4.341 -12.706 1.00 62.21 H new ATOM 0 HD12 ILE A 65 1.199 3.395 -11.277 1.00 62.21 H new ATOM 0 HD13 ILE A 65 0.060 3.607 -12.628 1.00 62.21 H new ATOM 1097 N LYS A 66 -4.061 5.371 -10.161 1.00 51.25 N ATOM 1098 CA LYS A 66 -5.228 5.398 -9.281 1.00 60.12 C ATOM 1099 C LYS A 66 -6.177 4.236 -9.552 1.00 14.22 C ATOM 1100 O LYS A 66 -6.557 3.510 -8.633 1.00 75.13 O ATOM 1101 CB LYS A 66 -5.981 6.723 -9.437 1.00 42.42 C ATOM 1102 CG LYS A 66 -5.344 7.883 -8.688 1.00 63.33 C ATOM 1103 CD LYS A 66 -5.477 7.708 -7.187 1.00 42.11 C ATOM 1104 CE LYS A 66 -6.937 7.704 -6.757 1.00 0.45 C ATOM 1105 NZ LYS A 66 -7.103 7.210 -5.367 1.00 23.42 N ATOM 0 H LYS A 66 -3.931 6.225 -10.703 1.00 51.25 H new ATOM 0 HA LYS A 66 -4.862 5.300 -8.259 1.00 60.12 H new ATOM 0 HB2 LYS A 66 -6.039 6.975 -10.496 1.00 42.42 H new ATOM 0 HB3 LYS A 66 -7.004 6.593 -9.084 1.00 42.42 H new ATOM 0 HG2 LYS A 66 -4.290 7.957 -8.956 1.00 63.33 H new ATOM 0 HG3 LYS A 66 -5.816 8.818 -8.991 1.00 63.33 H new ATOM 0 HD2 LYS A 66 -5.004 6.774 -6.885 1.00 42.11 H new ATOM 0 HD3 LYS A 66 -4.948 8.513 -6.677 1.00 42.11 H new ATOM 0 HE2 LYS A 66 -7.341 8.713 -6.834 1.00 0.45 H new ATOM 0 HE3 LYS A 66 -7.514 7.077 -7.437 1.00 0.45 H new ATOM 0 HZ1 LYS A 66 -8.111 7.223 -5.112 1.00 23.42 H new ATOM 0 HZ2 LYS A 66 -6.741 6.237 -5.299 1.00 23.42 H new ATOM 0 HZ3 LYS A 66 -6.573 7.823 -4.715 1.00 23.42 H new ATOM 1119 N ARG A 67 -6.555 4.057 -10.806 1.00 50.02 N ATOM 1120 CA ARG A 67 -7.531 3.030 -11.158 1.00 55.31 C ATOM 1121 C ARG A 67 -6.881 1.653 -11.243 1.00 41.21 C ATOM 1122 O ARG A 67 -7.534 0.635 -11.003 1.00 11.54 O ATOM 1123 CB ARG A 67 -8.229 3.382 -12.471 1.00 73.01 C ATOM 1124 CG ARG A 67 -8.953 4.718 -12.417 1.00 32.33 C ATOM 1125 CD ARG A 67 -9.745 4.993 -13.683 1.00 30.32 C ATOM 1126 NE ARG A 67 -10.936 4.148 -13.787 1.00 43.32 N ATOM 1127 CZ ARG A 67 -12.114 4.585 -14.232 1.00 42.44 C ATOM 1128 NH1 ARG A 67 -12.269 5.856 -14.578 1.00 31.43 N ATOM 1129 NH2 ARG A 67 -13.143 3.751 -14.325 1.00 41.50 N ATOM 0 H ARG A 67 -6.207 4.602 -11.594 1.00 50.02 H new ATOM 0 HA ARG A 67 -8.280 2.994 -10.367 1.00 55.31 H new ATOM 0 HB2 ARG A 67 -7.492 3.406 -13.273 1.00 73.01 H new ATOM 0 HB3 ARG A 67 -8.944 2.597 -12.718 1.00 73.01 H new ATOM 0 HG2 ARG A 67 -9.626 4.730 -11.560 1.00 32.33 H new ATOM 0 HG3 ARG A 67 -8.227 5.517 -12.264 1.00 32.33 H new ATOM 0 HD2 ARG A 67 -10.043 6.041 -13.702 1.00 30.32 H new ATOM 0 HD3 ARG A 67 -9.107 4.827 -14.551 1.00 30.32 H new ATOM 0 HE ARG A 67 -10.860 3.171 -13.503 1.00 43.32 H new ATOM 0 HH11 ARG A 67 -11.485 6.504 -14.504 1.00 31.43 H new ATOM 0 HH12 ARG A 67 -13.172 6.185 -14.918 1.00 31.43 H new ATOM 0 HH21 ARG A 67 -13.033 2.773 -14.056 1.00 41.50 H new ATOM 0 HH22 ARG A 67 -14.043 4.088 -14.666 1.00 41.50 H new ATOM 1143 N LEU A 68 -5.592 1.633 -11.564 1.00 10.31 N ATOM 1144 CA LEU A 68 -4.830 0.388 -11.638 1.00 51.23 C ATOM 1145 C LEU A 68 -4.807 -0.293 -10.270 1.00 52.51 C ATOM 1146 O LEU A 68 -5.160 -1.465 -10.138 1.00 52.33 O ATOM 1147 CB LEU A 68 -3.400 0.689 -12.134 1.00 61.13 C ATOM 1148 CG LEU A 68 -2.527 -0.521 -12.521 1.00 13.21 C ATOM 1149 CD1 LEU A 68 -1.984 -1.234 -11.290 1.00 11.10 C ATOM 1150 CD2 LEU A 68 -3.310 -1.493 -13.395 1.00 52.35 C ATOM 0 H LEU A 68 -5.049 2.469 -11.779 1.00 10.31 H new ATOM 0 HA LEU A 68 -5.306 -0.292 -12.344 1.00 51.23 H new ATOM 0 HB2 LEU A 68 -3.473 1.346 -13.001 1.00 61.13 H new ATOM 0 HB3 LEU A 68 -2.881 1.246 -11.354 1.00 61.13 H new ATOM 0 HG LEU A 68 -1.678 -0.144 -13.091 1.00 13.21 H new ATOM 0 HD11 LEU A 68 -1.373 -2.082 -11.600 1.00 11.10 H new ATOM 0 HD12 LEU A 68 -1.375 -0.542 -10.708 1.00 11.10 H new ATOM 0 HD13 LEU A 68 -2.814 -1.589 -10.680 1.00 11.10 H new ATOM 0 HD21 LEU A 68 -2.675 -2.340 -13.657 1.00 52.35 H new ATOM 0 HD22 LEU A 68 -4.184 -1.850 -12.850 1.00 52.35 H new ATOM 0 HD23 LEU A 68 -3.632 -0.986 -14.305 1.00 52.35 H new ATOM 1162 N THR A 69 -4.409 0.460 -9.253 1.00 13.14 N ATOM 1163 CA THR A 69 -4.317 -0.072 -7.903 1.00 45.35 C ATOM 1164 C THR A 69 -5.695 -0.411 -7.342 1.00 21.34 C ATOM 1165 O THR A 69 -5.895 -1.481 -6.767 1.00 42.21 O ATOM 1166 CB THR A 69 -3.610 0.925 -6.965 1.00 51.13 C ATOM 1167 OG1 THR A 69 -4.150 2.242 -7.152 1.00 73.25 O ATOM 1168 CG2 THR A 69 -2.110 0.947 -7.224 1.00 4.13 C ATOM 0 H THR A 69 -4.145 1.441 -9.339 1.00 13.14 H new ATOM 0 HA THR A 69 -3.729 -0.988 -7.959 1.00 45.35 H new ATOM 0 HB THR A 69 -3.780 0.603 -5.938 1.00 51.13 H new ATOM 0 HG1 THR A 69 -3.764 2.643 -7.959 1.00 73.25 H new ATOM 0 HG21 THR A 69 -1.635 1.659 -6.549 1.00 4.13 H new ATOM 0 HG22 THR A 69 -1.697 -0.047 -7.053 1.00 4.13 H new ATOM 0 HG23 THR A 69 -1.923 1.245 -8.256 1.00 4.13 H new ATOM 1176 N ARG A 70 -6.647 0.492 -7.544 1.00 72.32 N ATOM 1177 CA ARG A 70 -7.990 0.350 -6.987 1.00 4.43 C ATOM 1178 C ARG A 70 -8.683 -0.912 -7.503 1.00 41.24 C ATOM 1179 O ARG A 70 -9.516 -1.502 -6.815 1.00 41.13 O ATOM 1180 CB ARG A 70 -8.810 1.599 -7.321 1.00 33.32 C ATOM 1181 CG ARG A 70 -10.219 1.595 -6.754 1.00 21.41 C ATOM 1182 CD ARG A 70 -10.880 2.954 -6.923 1.00 62.45 C ATOM 1183 NE ARG A 70 -12.299 2.926 -6.568 1.00 4.23 N ATOM 1184 CZ ARG A 70 -12.905 3.848 -5.819 1.00 44.53 C ATOM 1185 NH1 ARG A 70 -12.204 4.839 -5.277 1.00 23.54 N ATOM 1186 NH2 ARG A 70 -14.214 3.774 -5.613 1.00 11.24 N ATOM 0 H ARG A 70 -6.513 1.340 -8.095 1.00 72.32 H new ATOM 0 HA ARG A 70 -7.910 0.248 -5.905 1.00 4.43 H new ATOM 0 HB2 ARG A 70 -8.283 2.476 -6.945 1.00 33.32 H new ATOM 0 HB3 ARG A 70 -8.868 1.702 -8.405 1.00 33.32 H new ATOM 0 HG2 ARG A 70 -10.814 0.832 -7.256 1.00 21.41 H new ATOM 0 HG3 ARG A 70 -10.188 1.331 -5.697 1.00 21.41 H new ATOM 0 HD2 ARG A 70 -10.366 3.686 -6.300 1.00 62.45 H new ATOM 0 HD3 ARG A 70 -10.772 3.283 -7.957 1.00 62.45 H new ATOM 0 HE ARG A 70 -12.862 2.150 -6.916 1.00 4.23 H new ATOM 0 HH11 ARG A 70 -11.198 4.897 -5.433 1.00 23.54 H new ATOM 0 HH12 ARG A 70 -12.672 5.542 -4.705 1.00 23.54 H new ATOM 0 HH21 ARG A 70 -14.753 3.014 -6.027 1.00 11.24 H new ATOM 0 HH22 ARG A 70 -14.681 4.477 -5.041 1.00 11.24 H new ATOM 1200 N GLU A 71 -8.311 -1.331 -8.705 1.00 31.33 N ATOM 1201 CA GLU A 71 -8.873 -2.532 -9.309 1.00 2.32 C ATOM 1202 C GLU A 71 -8.466 -3.783 -8.532 1.00 54.21 C ATOM 1203 O GLU A 71 -9.299 -4.645 -8.245 1.00 53.21 O ATOM 1204 CB GLU A 71 -8.405 -2.647 -10.759 1.00 22.51 C ATOM 1205 CG GLU A 71 -8.897 -3.897 -11.466 1.00 4.55 C ATOM 1206 CD GLU A 71 -8.337 -4.028 -12.863 1.00 35.22 C ATOM 1207 OE1 GLU A 71 -8.899 -3.411 -13.790 1.00 72.14 O ATOM 1208 OE2 GLU A 71 -7.327 -4.743 -13.040 1.00 71.12 O ATOM 0 H GLU A 71 -7.619 -0.855 -9.284 1.00 31.33 H new ATOM 0 HA GLU A 71 -9.960 -2.453 -9.280 1.00 2.32 H new ATOM 0 HB2 GLU A 71 -8.746 -1.771 -11.311 1.00 22.51 H new ATOM 0 HB3 GLU A 71 -7.315 -2.634 -10.781 1.00 22.51 H new ATOM 0 HG2 GLU A 71 -8.618 -4.774 -10.882 1.00 4.55 H new ATOM 0 HG3 GLU A 71 -9.986 -3.879 -11.514 1.00 4.55 H new ATOM 1215 N SER A 72 -7.189 -3.866 -8.177 1.00 23.21 N ATOM 1216 CA SER A 72 -6.641 -5.066 -7.557 1.00 11.31 C ATOM 1217 C SER A 72 -7.282 -5.347 -6.196 1.00 1.13 C ATOM 1218 O SER A 72 -7.466 -6.510 -5.820 1.00 40.14 O ATOM 1219 CB SER A 72 -5.120 -4.947 -7.418 1.00 71.03 C ATOM 1220 OG SER A 72 -4.754 -3.878 -6.563 1.00 13.33 O ATOM 0 H SER A 72 -6.512 -3.114 -8.308 1.00 23.21 H new ATOM 0 HA SER A 72 -6.874 -5.908 -8.208 1.00 11.31 H new ATOM 0 HB2 SER A 72 -4.716 -5.881 -7.027 1.00 71.03 H new ATOM 0 HB3 SER A 72 -4.675 -4.795 -8.402 1.00 71.03 H new ATOM 0 HG SER A 72 -5.157 -3.046 -6.889 1.00 13.33 H new ATOM 1226 N PHE A 73 -7.642 -4.287 -5.477 1.00 13.25 N ATOM 1227 CA PHE A 73 -8.231 -4.418 -4.146 1.00 2.34 C ATOM 1228 C PHE A 73 -9.592 -5.112 -4.199 1.00 25.30 C ATOM 1229 O PHE A 73 -10.008 -5.756 -3.238 1.00 61.20 O ATOM 1230 CB PHE A 73 -8.366 -3.045 -3.479 1.00 21.24 C ATOM 1231 CG PHE A 73 -7.080 -2.531 -2.894 1.00 65.35 C ATOM 1232 CD1 PHE A 73 -6.090 -2.003 -3.707 1.00 72.53 C ATOM 1233 CD2 PHE A 73 -6.862 -2.579 -1.527 1.00 71.00 C ATOM 1234 CE1 PHE A 73 -4.908 -1.533 -3.167 1.00 2.25 C ATOM 1235 CE2 PHE A 73 -5.682 -2.112 -0.982 1.00 22.34 C ATOM 1236 CZ PHE A 73 -4.704 -1.587 -1.802 1.00 21.10 C ATOM 0 H PHE A 73 -7.536 -3.324 -5.795 1.00 13.25 H new ATOM 0 HA PHE A 73 -7.560 -5.038 -3.551 1.00 2.34 H new ATOM 0 HB2 PHE A 73 -8.733 -2.328 -4.213 1.00 21.24 H new ATOM 0 HB3 PHE A 73 -9.116 -3.106 -2.690 1.00 21.24 H new ATOM 0 HD1 PHE A 73 -6.244 -1.958 -4.775 1.00 72.53 H new ATOM 0 HD2 PHE A 73 -7.624 -2.987 -0.879 1.00 71.00 H new ATOM 0 HE1 PHE A 73 -4.144 -1.124 -3.812 1.00 2.25 H new ATOM 0 HE2 PHE A 73 -5.525 -2.158 0.086 1.00 22.34 H new ATOM 0 HZ PHE A 73 -3.782 -1.219 -1.377 1.00 21.10 H new ATOM 1246 N ARG A 74 -10.272 -4.997 -5.334 1.00 15.15 N ATOM 1247 CA ARG A 74 -11.602 -5.583 -5.489 1.00 43.51 C ATOM 1248 C ARG A 74 -11.512 -7.035 -5.964 1.00 74.43 C ATOM 1249 O ARG A 74 -12.504 -7.761 -5.981 1.00 11.12 O ATOM 1250 CB ARG A 74 -12.425 -4.750 -6.475 1.00 43.33 C ATOM 1251 CG ARG A 74 -13.879 -5.179 -6.584 1.00 3.15 C ATOM 1252 CD ARG A 74 -14.627 -4.344 -7.607 1.00 31.15 C ATOM 1253 NE ARG A 74 -16.002 -4.800 -7.784 1.00 23.52 N ATOM 1254 CZ ARG A 74 -16.703 -4.629 -8.903 1.00 52.24 C ATOM 1255 NH1 ARG A 74 -16.159 -4.030 -9.956 1.00 52.33 N ATOM 1256 NH2 ARG A 74 -17.949 -5.069 -8.973 1.00 1.50 N ATOM 0 H ARG A 74 -9.928 -4.506 -6.159 1.00 15.15 H new ATOM 0 HA ARG A 74 -12.096 -5.579 -4.517 1.00 43.51 H new ATOM 0 HB2 ARG A 74 -12.387 -3.704 -6.171 1.00 43.33 H new ATOM 0 HB3 ARG A 74 -11.964 -4.812 -7.461 1.00 43.33 H new ATOM 0 HG2 ARG A 74 -13.930 -6.231 -6.864 1.00 3.15 H new ATOM 0 HG3 ARG A 74 -14.362 -5.084 -5.611 1.00 3.15 H new ATOM 0 HD2 ARG A 74 -14.629 -3.301 -7.292 1.00 31.15 H new ATOM 0 HD3 ARG A 74 -14.105 -4.388 -8.563 1.00 31.15 H new ATOM 0 HE ARG A 74 -16.453 -5.278 -7.004 1.00 23.52 H new ATOM 0 HH11 ARG A 74 -15.196 -3.696 -9.912 1.00 52.33 H new ATOM 0 HH12 ARG A 74 -16.704 -3.904 -10.809 1.00 52.33 H new ATOM 0 HH21 ARG A 74 -18.370 -5.538 -8.171 1.00 1.50 H new ATOM 0 HH22 ARG A 74 -18.488 -4.939 -9.829 1.00 1.50 H new ATOM 1270 N LEU A 75 -10.316 -7.458 -6.338 1.00 70.45 N ATOM 1271 CA LEU A 75 -10.120 -8.803 -6.861 1.00 55.14 C ATOM 1272 C LEU A 75 -9.385 -9.691 -5.859 1.00 0.13 C ATOM 1273 O LEU A 75 -9.805 -10.817 -5.578 1.00 23.31 O ATOM 1274 CB LEU A 75 -9.336 -8.744 -8.176 1.00 1.23 C ATOM 1275 CG LEU A 75 -8.974 -10.101 -8.788 1.00 41.21 C ATOM 1276 CD1 LEU A 75 -10.224 -10.906 -9.098 1.00 14.41 C ATOM 1277 CD2 LEU A 75 -8.132 -9.912 -10.042 1.00 60.35 C ATOM 0 H LEU A 75 -9.468 -6.893 -6.290 1.00 70.45 H new ATOM 0 HA LEU A 75 -11.103 -9.239 -7.041 1.00 55.14 H new ATOM 0 HB2 LEU A 75 -9.921 -8.181 -8.903 1.00 1.23 H new ATOM 0 HB3 LEU A 75 -8.416 -8.184 -8.006 1.00 1.23 H new ATOM 0 HG LEU A 75 -8.386 -10.658 -8.058 1.00 41.21 H new ATOM 0 HD11 LEU A 75 -9.941 -11.865 -9.532 1.00 14.41 H new ATOM 0 HD12 LEU A 75 -10.785 -11.075 -8.179 1.00 14.41 H new ATOM 0 HD13 LEU A 75 -10.844 -10.357 -9.806 1.00 14.41 H new ATOM 0 HD21 LEU A 75 -7.884 -10.886 -10.464 1.00 60.35 H new ATOM 0 HD22 LEU A 75 -8.694 -9.332 -10.774 1.00 60.35 H new ATOM 0 HD23 LEU A 75 -7.214 -9.382 -9.787 1.00 60.35 H new ATOM 1289 N ARG A 76 -8.299 -9.176 -5.310 1.00 72.05 N ATOM 1290 CA ARG A 76 -7.411 -9.969 -4.471 1.00 71.14 C ATOM 1291 C ARG A 76 -7.578 -9.596 -3.000 1.00 43.11 C ATOM 1292 O ARG A 76 -6.601 -9.361 -2.285 1.00 13.11 O ATOM 1293 CB ARG A 76 -5.969 -9.760 -4.939 1.00 43.14 C ATOM 1294 CG ARG A 76 -5.771 -10.138 -6.399 1.00 43.35 C ATOM 1295 CD ARG A 76 -4.459 -9.613 -6.960 1.00 4.03 C ATOM 1296 NE ARG A 76 -4.318 -9.937 -8.380 1.00 54.32 N ATOM 1297 CZ ARG A 76 -4.387 -9.038 -9.368 1.00 23.41 C ATOM 1298 NH1 ARG A 76 -4.586 -7.753 -9.095 1.00 11.20 N ATOM 1299 NH2 ARG A 76 -4.263 -9.426 -10.630 1.00 3.14 N ATOM 0 H ARG A 76 -8.008 -8.206 -5.430 1.00 72.05 H new ATOM 0 HA ARG A 76 -7.666 -11.025 -4.564 1.00 71.14 H new ATOM 0 HB2 ARG A 76 -5.692 -8.716 -4.796 1.00 43.14 H new ATOM 0 HB3 ARG A 76 -5.299 -10.355 -4.319 1.00 43.14 H new ATOM 0 HG2 ARG A 76 -5.797 -11.223 -6.497 1.00 43.35 H new ATOM 0 HG3 ARG A 76 -6.599 -9.745 -6.989 1.00 43.35 H new ATOM 0 HD2 ARG A 76 -4.410 -8.532 -6.825 1.00 4.03 H new ATOM 0 HD3 ARG A 76 -3.626 -10.042 -6.403 1.00 4.03 H new ATOM 0 HE ARG A 76 -4.157 -10.912 -8.633 1.00 54.32 H new ATOM 0 HH11 ARG A 76 -4.687 -7.447 -8.127 1.00 11.20 H new ATOM 0 HH12 ARG A 76 -4.638 -7.073 -9.853 1.00 11.20 H new ATOM 0 HH21 ARG A 76 -4.115 -10.411 -10.848 1.00 3.14 H new ATOM 0 HH22 ARG A 76 -4.316 -8.739 -11.382 1.00 3.14 H new ATOM 1313 N GLN A 77 -8.830 -9.583 -2.554 1.00 71.34 N ATOM 1314 CA GLN A 77 -9.164 -9.144 -1.203 1.00 11.04 C ATOM 1315 C GLN A 77 -9.129 -10.300 -0.201 1.00 32.25 C ATOM 1316 O GLN A 77 -9.120 -10.080 1.007 1.00 62.44 O ATOM 1317 CB GLN A 77 -10.546 -8.468 -1.179 1.00 73.01 C ATOM 1318 CG GLN A 77 -11.734 -9.421 -1.313 1.00 40.24 C ATOM 1319 CD GLN A 77 -11.796 -10.136 -2.651 1.00 54.51 C ATOM 1320 OE1 GLN A 77 -11.242 -11.222 -2.812 1.00 75.32 O ATOM 1321 NE2 GLN A 77 -12.464 -9.533 -3.617 1.00 73.44 N ATOM 0 H GLN A 77 -9.634 -9.873 -3.111 1.00 71.34 H new ATOM 0 HA GLN A 77 -8.406 -8.420 -0.903 1.00 11.04 H new ATOM 0 HB2 GLN A 77 -10.647 -7.915 -0.245 1.00 73.01 H new ATOM 0 HB3 GLN A 77 -10.591 -7.739 -1.988 1.00 73.01 H new ATOM 0 HG2 GLN A 77 -11.684 -10.163 -0.516 1.00 40.24 H new ATOM 0 HG3 GLN A 77 -12.657 -8.859 -1.168 1.00 40.24 H new ATOM 0 HE21 GLN A 77 -12.910 -8.632 -3.443 1.00 73.44 H new ATOM 0 HE22 GLN A 77 -12.534 -9.968 -4.537 1.00 73.44 H new ATOM 1330 N HIS A 78 -9.108 -11.530 -0.697 1.00 4.23 N ATOM 1331 CA HIS A 78 -9.095 -12.697 0.185 1.00 73.10 C ATOM 1332 C HIS A 78 -7.702 -12.955 0.741 1.00 4.24 C ATOM 1333 O HIS A 78 -7.548 -13.636 1.754 1.00 40.34 O ATOM 1334 CB HIS A 78 -9.599 -13.943 -0.545 1.00 24.21 C ATOM 1335 CG HIS A 78 -11.089 -14.112 -0.486 1.00 33.24 C ATOM 1336 ND1 HIS A 78 -11.945 -13.673 -1.475 1.00 54.55 N ATOM 1337 CD2 HIS A 78 -11.875 -14.683 0.458 1.00 1.44 C ATOM 1338 CE1 HIS A 78 -13.188 -13.968 -1.139 1.00 10.42 C ATOM 1339 NE2 HIS A 78 -13.173 -14.582 0.028 1.00 31.25 N ATOM 0 H HIS A 78 -9.100 -11.748 -1.693 1.00 4.23 H new ATOM 0 HA HIS A 78 -9.766 -12.480 1.016 1.00 73.10 H new ATOM 0 HB2 HIS A 78 -9.288 -13.893 -1.589 1.00 24.21 H new ATOM 0 HB3 HIS A 78 -9.124 -14.824 -0.113 1.00 24.21 H new ATOM 0 HD1 HIS A 78 -11.662 -13.196 -2.331 1.00 54.55 H new ATOM 0 HD2 HIS A 78 -11.541 -15.135 1.380 1.00 1.44 H new ATOM 0 HE1 HIS A 78 -14.069 -13.744 -1.722 1.00 10.42 H new ATOM 1348 N GLU A 79 -6.697 -12.390 0.091 1.00 65.30 N ATOM 1349 CA GLU A 79 -5.310 -12.617 0.480 1.00 74.31 C ATOM 1350 C GLU A 79 -4.789 -11.492 1.368 1.00 12.14 C ATOM 1351 O GLU A 79 -3.583 -11.249 1.435 1.00 31.14 O ATOM 1352 CB GLU A 79 -4.434 -12.753 -0.766 1.00 41.20 C ATOM 1353 CG GLU A 79 -4.719 -14.010 -1.572 1.00 52.51 C ATOM 1354 CD GLU A 79 -4.377 -15.277 -0.812 1.00 1.20 C ATOM 1355 OE1 GLU A 79 -3.207 -15.709 -0.865 1.00 1.04 O ATOM 1356 OE2 GLU A 79 -5.275 -15.850 -0.164 1.00 13.03 O ATOM 0 H GLU A 79 -6.814 -11.769 -0.710 1.00 65.30 H new ATOM 0 HA GLU A 79 -5.268 -13.542 1.054 1.00 74.31 H new ATOM 0 HB2 GLU A 79 -4.583 -11.881 -1.403 1.00 41.20 H new ATOM 0 HB3 GLU A 79 -3.386 -12.753 -0.466 1.00 41.20 H new ATOM 0 HG2 GLU A 79 -5.773 -14.029 -1.848 1.00 52.51 H new ATOM 0 HG3 GLU A 79 -4.147 -13.981 -2.499 1.00 52.51 H new ATOM 1363 N LEU A 80 -5.698 -10.806 2.047 1.00 31.42 N ATOM 1364 CA LEU A 80 -5.320 -9.737 2.960 1.00 11.15 C ATOM 1365 C LEU A 80 -6.141 -9.803 4.242 1.00 43.11 C ATOM 1366 O LEU A 80 -7.277 -10.281 4.237 1.00 21.02 O ATOM 1367 CB LEU A 80 -5.459 -8.361 2.280 1.00 5.05 C ATOM 1368 CG LEU A 80 -6.818 -8.041 1.640 1.00 71.22 C ATOM 1369 CD1 LEU A 80 -7.823 -7.556 2.676 1.00 31.11 C ATOM 1370 CD2 LEU A 80 -6.652 -7.004 0.539 1.00 71.25 C ATOM 0 H LEU A 80 -6.703 -10.971 1.983 1.00 31.42 H new ATOM 0 HA LEU A 80 -4.272 -9.873 3.228 1.00 11.15 H new ATOM 0 HB2 LEU A 80 -5.243 -7.592 3.021 1.00 5.05 H new ATOM 0 HB3 LEU A 80 -4.693 -8.284 1.508 1.00 5.05 H new ATOM 0 HG LEU A 80 -7.206 -8.962 1.205 1.00 71.22 H new ATOM 0 HD11 LEU A 80 -8.773 -7.339 2.188 1.00 31.11 H new ATOM 0 HD12 LEU A 80 -7.971 -8.330 3.430 1.00 31.11 H new ATOM 0 HD13 LEU A 80 -7.446 -6.652 3.153 1.00 31.11 H new ATOM 0 HD21 LEU A 80 -7.623 -6.787 0.094 1.00 71.25 H new ATOM 0 HD22 LEU A 80 -6.233 -6.090 0.960 1.00 71.25 H new ATOM 0 HD23 LEU A 80 -5.980 -7.391 -0.227 1.00 71.25 H new ATOM 1382 N PRO A 81 -5.559 -9.357 5.365 1.00 74.21 N ATOM 1383 CA PRO A 81 -6.265 -9.279 6.641 1.00 51.42 C ATOM 1384 C PRO A 81 -7.204 -8.077 6.690 1.00 53.15 C ATOM 1385 O PRO A 81 -7.100 -7.161 5.870 1.00 23.23 O ATOM 1386 CB PRO A 81 -5.136 -9.123 7.659 1.00 44.44 C ATOM 1387 CG PRO A 81 -4.046 -8.440 6.908 1.00 12.33 C ATOM 1388 CD PRO A 81 -4.160 -8.903 5.479 1.00 52.05 C ATOM 0 HA PRO A 81 -6.896 -10.149 6.823 1.00 51.42 H new ATOM 0 HB2 PRO A 81 -5.455 -8.533 8.518 1.00 44.44 H new ATOM 0 HB3 PRO A 81 -4.809 -10.090 8.040 1.00 44.44 H new ATOM 0 HG2 PRO A 81 -4.148 -7.357 6.975 1.00 12.33 H new ATOM 0 HG3 PRO A 81 -3.070 -8.694 7.322 1.00 12.33 H new ATOM 0 HD2 PRO A 81 -3.943 -8.096 4.779 1.00 52.05 H new ATOM 0 HD3 PRO A 81 -3.459 -9.709 5.263 1.00 52.05 H new ATOM 1396 N ALA A 82 -8.110 -8.079 7.656 1.00 33.43 N ATOM 1397 CA ALA A 82 -9.087 -7.006 7.796 1.00 64.23 C ATOM 1398 C ALA A 82 -8.466 -5.762 8.428 1.00 5.23 C ATOM 1399 O ALA A 82 -8.873 -5.317 9.506 1.00 75.24 O ATOM 1400 CB ALA A 82 -10.283 -7.486 8.604 1.00 20.44 C ATOM 0 H ALA A 82 -8.190 -8.814 8.358 1.00 33.43 H new ATOM 0 HA ALA A 82 -9.428 -6.728 6.799 1.00 64.23 H new ATOM 0 HB1 ALA A 82 -11.005 -6.675 8.701 1.00 20.44 H new ATOM 0 HB2 ALA A 82 -10.750 -8.329 8.096 1.00 20.44 H new ATOM 0 HB3 ALA A 82 -9.952 -7.798 9.595 1.00 20.44 H new ATOM 1406 N MET A 83 -7.481 -5.202 7.746 1.00 62.22 N ATOM 1407 CA MET A 83 -6.823 -3.989 8.197 1.00 15.34 C ATOM 1408 C MET A 83 -6.715 -3.013 7.037 1.00 63.40 C ATOM 1409 O MET A 83 -6.933 -3.389 5.891 1.00 61.14 O ATOM 1410 CB MET A 83 -5.433 -4.290 8.770 1.00 11.11 C ATOM 1411 CG MET A 83 -4.415 -4.746 7.736 1.00 23.15 C ATOM 1412 SD MET A 83 -2.748 -4.868 8.417 1.00 32.20 S ATOM 1413 CE MET A 83 -1.815 -5.348 6.968 1.00 13.33 C ATOM 0 H MET A 83 -7.117 -5.574 6.869 1.00 62.22 H new ATOM 0 HA MET A 83 -7.420 -3.546 8.994 1.00 15.34 H new ATOM 0 HB2 MET A 83 -5.055 -3.395 9.265 1.00 11.11 H new ATOM 0 HB3 MET A 83 -5.527 -5.061 9.535 1.00 11.11 H new ATOM 0 HG2 MET A 83 -4.714 -5.716 7.339 1.00 23.15 H new ATOM 0 HG3 MET A 83 -4.412 -4.047 6.900 1.00 23.15 H new ATOM 0 HE1 MET A 83 -0.971 -5.969 7.268 1.00 13.33 H new ATOM 0 HE2 MET A 83 -2.458 -5.911 6.291 1.00 13.33 H new ATOM 0 HE3 MET A 83 -1.447 -4.456 6.461 1.00 13.33 H new ATOM 1423 N ASP A 84 -6.378 -1.772 7.338 1.00 72.30 N ATOM 1424 CA ASP A 84 -6.315 -0.731 6.320 1.00 70.43 C ATOM 1425 C ASP A 84 -4.947 -0.735 5.638 1.00 24.30 C ATOM 1426 O ASP A 84 -3.967 -1.229 6.202 1.00 72.22 O ATOM 1427 CB ASP A 84 -6.606 0.631 6.954 1.00 11.42 C ATOM 1428 CG ASP A 84 -6.796 1.726 5.926 1.00 73.54 C ATOM 1429 OD1 ASP A 84 -7.090 1.404 4.756 1.00 3.21 O ATOM 1430 OD2 ASP A 84 -6.671 2.910 6.290 1.00 62.40 O ATOM 0 H ASP A 84 -6.143 -1.457 8.279 1.00 72.30 H new ATOM 0 HA ASP A 84 -7.070 -0.929 5.559 1.00 70.43 H new ATOM 0 HB2 ASP A 84 -7.503 0.557 7.569 1.00 11.42 H new ATOM 0 HB3 ASP A 84 -5.785 0.901 7.618 1.00 11.42 H new ATOM 1435 N PHE A 85 -4.884 -0.189 4.429 1.00 62.34 N ATOM 1436 CA PHE A 85 -3.665 -0.223 3.632 1.00 41.00 C ATOM 1437 C PHE A 85 -3.340 1.147 3.043 1.00 12.10 C ATOM 1438 O PHE A 85 -4.114 1.703 2.256 1.00 4.03 O ATOM 1439 CB PHE A 85 -3.791 -1.245 2.494 1.00 43.34 C ATOM 1440 CG PHE A 85 -3.849 -2.675 2.948 1.00 40.40 C ATOM 1441 CD1 PHE A 85 -2.687 -3.363 3.260 1.00 74.42 C ATOM 1442 CD2 PHE A 85 -5.061 -3.334 3.053 1.00 72.41 C ATOM 1443 CE1 PHE A 85 -2.736 -4.681 3.669 1.00 72.43 C ATOM 1444 CE2 PHE A 85 -5.117 -4.652 3.463 1.00 74.25 C ATOM 1445 CZ PHE A 85 -3.952 -5.326 3.772 1.00 12.05 C ATOM 0 H PHE A 85 -5.667 0.284 3.978 1.00 62.34 H new ATOM 0 HA PHE A 85 -2.854 -0.516 4.299 1.00 41.00 H new ATOM 0 HB2 PHE A 85 -4.690 -1.022 1.920 1.00 43.34 H new ATOM 0 HB3 PHE A 85 -2.944 -1.125 1.819 1.00 43.34 H new ATOM 0 HD1 PHE A 85 -1.733 -2.863 3.182 1.00 74.42 H new ATOM 0 HD2 PHE A 85 -5.975 -2.811 2.811 1.00 72.41 H new ATOM 0 HE1 PHE A 85 -1.823 -5.207 3.908 1.00 72.43 H new ATOM 0 HE2 PHE A 85 -6.070 -5.154 3.542 1.00 74.25 H new ATOM 0 HZ PHE A 85 -3.992 -6.356 4.094 1.00 12.05 H new ATOM 1455 N VAL A 86 -2.187 1.680 3.415 1.00 30.43 N ATOM 1456 CA VAL A 86 -1.696 2.914 2.824 1.00 50.25 C ATOM 1457 C VAL A 86 -0.592 2.595 1.814 1.00 11.34 C ATOM 1458 O VAL A 86 0.387 1.920 2.133 1.00 13.44 O ATOM 1459 CB VAL A 86 -1.194 3.916 3.898 1.00 24.14 C ATOM 1460 CG1 VAL A 86 -0.127 3.296 4.784 1.00 64.13 C ATOM 1461 CG2 VAL A 86 -0.683 5.197 3.252 1.00 31.12 C ATOM 0 H VAL A 86 -1.574 1.277 4.124 1.00 30.43 H new ATOM 0 HA VAL A 86 -2.526 3.398 2.309 1.00 50.25 H new ATOM 0 HB VAL A 86 -2.044 4.169 4.532 1.00 24.14 H new ATOM 0 HG11 VAL A 86 0.201 4.026 5.524 1.00 64.13 H new ATOM 0 HG12 VAL A 86 -0.538 2.424 5.292 1.00 64.13 H new ATOM 0 HG13 VAL A 86 0.723 2.993 4.172 1.00 64.13 H new ATOM 0 HG21 VAL A 86 -0.337 5.882 4.026 1.00 31.12 H new ATOM 0 HG22 VAL A 86 0.143 4.962 2.581 1.00 31.12 H new ATOM 0 HG23 VAL A 86 -1.488 5.666 2.686 1.00 31.12 H new ATOM 1471 N VAL A 87 -0.774 3.055 0.588 1.00 71.13 N ATOM 1472 CA VAL A 87 0.139 2.730 -0.495 1.00 71.45 C ATOM 1473 C VAL A 87 0.799 3.995 -1.028 1.00 33.21 C ATOM 1474 O VAL A 87 0.139 4.846 -1.614 1.00 44.35 O ATOM 1475 CB VAL A 87 -0.597 2.013 -1.649 1.00 51.44 C ATOM 1476 CG1 VAL A 87 0.382 1.554 -2.715 1.00 62.25 C ATOM 1477 CG2 VAL A 87 -1.412 0.839 -1.123 1.00 33.21 C ATOM 0 H VAL A 87 -1.550 3.658 0.317 1.00 71.13 H new ATOM 0 HA VAL A 87 0.901 2.060 -0.096 1.00 71.45 H new ATOM 0 HB VAL A 87 -1.283 2.726 -2.106 1.00 51.44 H new ATOM 0 HG11 VAL A 87 -0.161 1.052 -3.516 1.00 62.25 H new ATOM 0 HG12 VAL A 87 0.910 2.417 -3.120 1.00 62.25 H new ATOM 0 HG13 VAL A 87 1.101 0.862 -2.275 1.00 62.25 H new ATOM 0 HG21 VAL A 87 -1.922 0.349 -1.953 1.00 33.21 H new ATOM 0 HG22 VAL A 87 -0.749 0.126 -0.633 1.00 33.21 H new ATOM 0 HG23 VAL A 87 -2.150 1.200 -0.407 1.00 33.21 H new ATOM 1487 N VAL A 88 2.097 4.117 -0.828 1.00 21.43 N ATOM 1488 CA VAL A 88 2.815 5.315 -1.232 1.00 52.44 C ATOM 1489 C VAL A 88 3.609 5.061 -2.510 1.00 72.30 C ATOM 1490 O VAL A 88 4.436 4.148 -2.570 1.00 2.43 O ATOM 1491 CB VAL A 88 3.769 5.807 -0.121 1.00 52.53 C ATOM 1492 CG1 VAL A 88 4.432 7.116 -0.523 1.00 22.13 C ATOM 1493 CG2 VAL A 88 3.019 5.966 1.195 1.00 24.42 C ATOM 0 H VAL A 88 2.678 3.403 -0.389 1.00 21.43 H new ATOM 0 HA VAL A 88 2.072 6.091 -1.416 1.00 52.44 H new ATOM 0 HB VAL A 88 4.550 5.059 0.017 1.00 52.53 H new ATOM 0 HG11 VAL A 88 5.100 7.445 0.273 1.00 22.13 H new ATOM 0 HG12 VAL A 88 5.004 6.968 -1.439 1.00 22.13 H new ATOM 0 HG13 VAL A 88 3.667 7.874 -0.692 1.00 22.13 H new ATOM 0 HG21 VAL A 88 3.707 6.313 1.966 1.00 24.42 H new ATOM 0 HG22 VAL A 88 2.216 6.693 1.071 1.00 24.42 H new ATOM 0 HG23 VAL A 88 2.597 5.006 1.491 1.00 24.42 H new ATOM 1503 N ALA A 89 3.349 5.865 -3.529 1.00 43.43 N ATOM 1504 CA ALA A 89 4.057 5.745 -4.793 1.00 22.42 C ATOM 1505 C ALA A 89 5.303 6.620 -4.780 1.00 64.22 C ATOM 1506 O ALA A 89 5.271 7.749 -4.294 1.00 33.45 O ATOM 1507 CB ALA A 89 3.144 6.128 -5.950 1.00 21.55 C ATOM 0 H ALA A 89 2.652 6.609 -3.505 1.00 43.43 H new ATOM 0 HA ALA A 89 4.363 4.708 -4.928 1.00 22.42 H new ATOM 0 HB1 ALA A 89 3.688 6.033 -6.890 1.00 21.55 H new ATOM 0 HB2 ALA A 89 2.278 5.467 -5.964 1.00 21.55 H new ATOM 0 HB3 ALA A 89 2.812 7.159 -5.826 1.00 21.55 H new ATOM 1513 N LYS A 90 6.406 6.095 -5.290 1.00 4.34 N ATOM 1514 CA LYS A 90 7.656 6.840 -5.322 1.00 62.33 C ATOM 1515 C LYS A 90 7.796 7.606 -6.632 1.00 43.21 C ATOM 1516 O LYS A 90 6.997 7.431 -7.553 1.00 4.52 O ATOM 1517 CB LYS A 90 8.846 5.895 -5.135 1.00 40.31 C ATOM 1518 CG LYS A 90 8.880 5.181 -3.786 1.00 65.01 C ATOM 1519 CD LYS A 90 9.182 6.130 -2.630 1.00 13.34 C ATOM 1520 CE LYS A 90 7.921 6.747 -2.042 1.00 60.34 C ATOM 1521 NZ LYS A 90 8.236 7.720 -0.963 1.00 42.01 N ATOM 0 H LYS A 90 6.462 5.157 -5.687 1.00 4.34 H new ATOM 0 HA LYS A 90 7.644 7.558 -4.502 1.00 62.33 H new ATOM 0 HB2 LYS A 90 8.828 5.147 -5.928 1.00 40.31 H new ATOM 0 HB3 LYS A 90 9.768 6.464 -5.254 1.00 40.31 H new ATOM 0 HG2 LYS A 90 7.920 4.695 -3.612 1.00 65.01 H new ATOM 0 HG3 LYS A 90 9.635 4.395 -3.813 1.00 65.01 H new ATOM 0 HD2 LYS A 90 9.717 5.589 -1.849 1.00 13.34 H new ATOM 0 HD3 LYS A 90 9.843 6.923 -2.978 1.00 13.34 H new ATOM 0 HE2 LYS A 90 7.359 7.248 -2.831 1.00 60.34 H new ATOM 0 HE3 LYS A 90 7.281 5.959 -1.646 1.00 60.34 H new ATOM 0 HZ1 LYS A 90 7.352 8.119 -0.587 1.00 42.01 H new ATOM 0 HZ2 LYS A 90 8.750 7.237 -0.199 1.00 42.01 H new ATOM 0 HZ3 LYS A 90 8.826 8.486 -1.347 1.00 42.01 H new ATOM 1535 N LYS A 91 8.809 8.459 -6.701 1.00 2.12 N ATOM 1536 CA LYS A 91 9.055 9.263 -7.889 1.00 13.32 C ATOM 1537 C LYS A 91 9.479 8.369 -9.050 1.00 53.51 C ATOM 1538 O LYS A 91 10.494 7.680 -8.971 1.00 72.44 O ATOM 1539 CB LYS A 91 10.143 10.304 -7.609 1.00 60.43 C ATOM 1540 CG LYS A 91 10.306 11.340 -8.711 1.00 3.34 C ATOM 1541 CD LYS A 91 11.543 12.200 -8.492 1.00 44.21 C ATOM 1542 CE LYS A 91 11.532 12.874 -7.127 1.00 4.41 C ATOM 1543 NZ LYS A 91 10.412 13.841 -6.984 1.00 75.54 N ATOM 0 H LYS A 91 9.476 8.612 -5.945 1.00 2.12 H new ATOM 0 HA LYS A 91 8.133 9.779 -8.157 1.00 13.32 H new ATOM 0 HB2 LYS A 91 9.910 10.816 -6.675 1.00 60.43 H new ATOM 0 HB3 LYS A 91 11.094 9.791 -7.463 1.00 60.43 H new ATOM 0 HG2 LYS A 91 10.377 10.838 -9.676 1.00 3.34 H new ATOM 0 HG3 LYS A 91 9.422 11.976 -8.747 1.00 3.34 H new ATOM 0 HD2 LYS A 91 12.436 11.582 -8.584 1.00 44.21 H new ATOM 0 HD3 LYS A 91 11.599 12.960 -9.272 1.00 44.21 H new ATOM 0 HE2 LYS A 91 11.454 12.114 -6.350 1.00 4.41 H new ATOM 0 HE3 LYS A 91 12.478 13.392 -6.973 1.00 4.41 H new ATOM 0 HZ1 LYS A 91 10.416 14.237 -6.022 1.00 75.54 H new ATOM 0 HZ2 LYS A 91 10.527 14.610 -7.675 1.00 75.54 H new ATOM 0 HZ3 LYS A 91 9.509 13.354 -7.155 1.00 75.54 H new ATOM 1557 N GLY A 92 8.692 8.374 -10.114 1.00 4.45 N ATOM 1558 CA GLY A 92 9.016 7.561 -11.272 1.00 13.02 C ATOM 1559 C GLY A 92 7.983 6.485 -11.531 1.00 25.44 C ATOM 1560 O GLY A 92 8.101 5.724 -12.493 1.00 51.33 O ATOM 0 H GLY A 92 7.837 8.924 -10.199 1.00 4.45 H new ATOM 0 HA2 GLY A 92 9.097 8.201 -12.150 1.00 13.02 H new ATOM 0 HA3 GLY A 92 9.991 7.096 -11.125 1.00 13.02 H new ATOM 1564 N VAL A 93 6.959 6.433 -10.682 1.00 20.53 N ATOM 1565 CA VAL A 93 5.881 5.455 -10.824 1.00 32.45 C ATOM 1566 C VAL A 93 5.102 5.684 -12.124 1.00 35.12 C ATOM 1567 O VAL A 93 4.413 4.795 -12.621 1.00 63.01 O ATOM 1568 CB VAL A 93 4.914 5.518 -9.616 1.00 32.10 C ATOM 1569 CG1 VAL A 93 4.151 6.838 -9.588 1.00 64.14 C ATOM 1570 CG2 VAL A 93 3.955 4.333 -9.624 1.00 22.23 C ATOM 0 H VAL A 93 6.852 7.060 -9.884 1.00 20.53 H new ATOM 0 HA VAL A 93 6.337 4.465 -10.857 1.00 32.45 H new ATOM 0 HB VAL A 93 5.513 5.462 -8.707 1.00 32.10 H new ATOM 0 HG11 VAL A 93 3.480 6.852 -8.729 1.00 64.14 H new ATOM 0 HG12 VAL A 93 4.857 7.665 -9.511 1.00 64.14 H new ATOM 0 HG13 VAL A 93 3.569 6.942 -10.504 1.00 64.14 H new ATOM 0 HG21 VAL A 93 3.286 4.400 -8.766 1.00 22.23 H new ATOM 0 HG22 VAL A 93 3.369 4.346 -10.543 1.00 22.23 H new ATOM 0 HG23 VAL A 93 4.523 3.405 -9.569 1.00 22.23 H new ATOM 1580 N ALA A 94 5.242 6.883 -12.674 1.00 53.42 N ATOM 1581 CA ALA A 94 4.562 7.256 -13.905 1.00 14.31 C ATOM 1582 C ALA A 94 5.176 6.563 -15.117 1.00 52.14 C ATOM 1583 O ALA A 94 4.525 6.396 -16.149 1.00 20.41 O ATOM 1584 CB ALA A 94 4.621 8.763 -14.085 1.00 20.00 C ATOM 0 H ALA A 94 5.827 7.620 -12.281 1.00 53.42 H new ATOM 0 HA ALA A 94 3.523 6.934 -13.828 1.00 14.31 H new ATOM 0 HB1 ALA A 94 4.111 9.039 -15.008 1.00 20.00 H new ATOM 0 HB2 ALA A 94 4.133 9.250 -13.241 1.00 20.00 H new ATOM 0 HB3 ALA A 94 5.662 9.083 -14.136 1.00 20.00 H new ATOM 1590 N ASP A 95 6.426 6.147 -14.981 1.00 3.31 N ATOM 1591 CA ASP A 95 7.153 5.561 -16.094 1.00 23.41 C ATOM 1592 C ASP A 95 6.965 4.047 -16.121 1.00 32.43 C ATOM 1593 O ASP A 95 7.864 3.286 -15.761 1.00 11.05 O ATOM 1594 CB ASP A 95 8.638 5.927 -16.002 1.00 32.34 C ATOM 1595 CG ASP A 95 9.421 5.501 -17.224 1.00 24.44 C ATOM 1596 OD1 ASP A 95 9.196 6.075 -18.311 1.00 3.24 O ATOM 1597 OD2 ASP A 95 10.271 4.599 -17.106 1.00 55.24 O ATOM 0 H ASP A 95 6.956 6.205 -14.112 1.00 3.31 H new ATOM 0 HA ASP A 95 6.755 5.964 -17.025 1.00 23.41 H new ATOM 0 HB2 ASP A 95 8.735 7.005 -15.871 1.00 32.34 H new ATOM 0 HB3 ASP A 95 9.069 5.458 -15.118 1.00 32.34 H new ATOM 1602 N LEU A 96 5.771 3.623 -16.514 1.00 11.35 N ATOM 1603 CA LEU A 96 5.442 2.205 -16.617 1.00 42.54 C ATOM 1604 C LEU A 96 4.600 1.939 -17.862 1.00 33.04 C ATOM 1605 O LEU A 96 3.524 2.518 -18.035 1.00 73.04 O ATOM 1606 CB LEU A 96 4.684 1.731 -15.371 1.00 35.22 C ATOM 1607 CG LEU A 96 5.503 1.684 -14.077 1.00 33.31 C ATOM 1608 CD1 LEU A 96 4.606 1.346 -12.897 1.00 44.12 C ATOM 1609 CD2 LEU A 96 6.635 0.670 -14.200 1.00 1.30 C ATOM 0 H LEU A 96 5.006 4.248 -16.769 1.00 11.35 H new ATOM 0 HA LEU A 96 6.376 1.649 -16.694 1.00 42.54 H new ATOM 0 HB2 LEU A 96 3.829 2.389 -15.215 1.00 35.22 H new ATOM 0 HB3 LEU A 96 4.288 0.734 -15.566 1.00 35.22 H new ATOM 0 HG LEU A 96 5.942 2.667 -13.906 1.00 33.31 H new ATOM 0 HD11 LEU A 96 5.201 1.316 -11.984 1.00 44.12 H new ATOM 0 HD12 LEU A 96 3.831 2.106 -12.800 1.00 44.12 H new ATOM 0 HD13 LEU A 96 4.142 0.373 -13.060 1.00 44.12 H new ATOM 0 HD21 LEU A 96 7.207 0.649 -13.272 1.00 1.30 H new ATOM 0 HD22 LEU A 96 6.218 -0.319 -14.392 1.00 1.30 H new ATOM 0 HD23 LEU A 96 7.290 0.954 -15.024 1.00 1.30 H new ATOM 1621 N ASP A 97 5.096 1.064 -18.724 1.00 34.34 N ATOM 1622 CA ASP A 97 4.401 0.724 -19.962 1.00 4.40 C ATOM 1623 C ASP A 97 3.196 -0.174 -19.682 1.00 33.04 C ATOM 1624 O ASP A 97 3.186 -0.919 -18.702 1.00 15.10 O ATOM 1625 CB ASP A 97 5.361 0.036 -20.937 1.00 21.24 C ATOM 1626 CG ASP A 97 4.703 -0.301 -22.260 1.00 73.14 C ATOM 1627 OD1 ASP A 97 4.565 0.607 -23.105 1.00 60.43 O ATOM 1628 OD2 ASP A 97 4.314 -1.473 -22.455 1.00 34.41 O ATOM 0 H ASP A 97 5.980 0.574 -18.590 1.00 34.34 H new ATOM 0 HA ASP A 97 4.040 1.647 -20.415 1.00 4.40 H new ATOM 0 HB2 ASP A 97 6.218 0.685 -21.116 1.00 21.24 H new ATOM 0 HB3 ASP A 97 5.743 -0.878 -20.482 1.00 21.24 H new ATOM 1633 N ASN A 98 2.189 -0.093 -20.553 1.00 30.22 N ATOM 1634 CA ASN A 98 0.950 -0.861 -20.412 1.00 73.31 C ATOM 1635 C ASN A 98 1.223 -2.359 -20.271 1.00 12.51 C ATOM 1636 O ASN A 98 0.536 -3.059 -19.524 1.00 55.24 O ATOM 1637 CB ASN A 98 0.039 -0.603 -21.621 1.00 71.50 C ATOM 1638 CG ASN A 98 -1.283 -1.347 -21.544 1.00 32.42 C ATOM 1639 OD1 ASN A 98 -2.250 -0.859 -20.959 1.00 4.23 O ATOM 1640 ND2 ASN A 98 -1.345 -2.516 -22.161 1.00 35.32 N ATOM 0 H ASN A 98 2.209 0.508 -21.377 1.00 30.22 H new ATOM 0 HA ASN A 98 0.453 -0.530 -19.500 1.00 73.31 H new ATOM 0 HB2 ASN A 98 -0.157 0.466 -21.698 1.00 71.50 H new ATOM 0 HB3 ASN A 98 0.562 -0.898 -22.531 1.00 71.50 H new ATOM 0 HD21 ASN A 98 -2.216 -3.046 -22.163 1.00 35.32 H new ATOM 0 HD22 ASN A 98 -0.521 -2.887 -22.635 1.00 35.32 H new ATOM 1647 N ARG A 99 2.232 -2.847 -20.981 1.00 32.45 N ATOM 1648 CA ARG A 99 2.585 -4.259 -20.926 1.00 22.45 C ATOM 1649 C ARG A 99 3.285 -4.579 -19.609 1.00 22.20 C ATOM 1650 O ARG A 99 2.974 -5.573 -18.949 1.00 60.10 O ATOM 1651 CB ARG A 99 3.498 -4.624 -22.096 1.00 5.33 C ATOM 1652 CG ARG A 99 3.803 -6.110 -22.198 1.00 51.11 C ATOM 1653 CD ARG A 99 5.252 -6.361 -22.588 1.00 72.13 C ATOM 1654 NE ARG A 99 5.644 -5.630 -23.792 1.00 31.05 N ATOM 1655 CZ ARG A 99 6.612 -6.025 -24.615 1.00 45.44 C ATOM 1656 NH1 ARG A 99 7.251 -7.171 -24.395 1.00 55.11 N ATOM 1657 NH2 ARG A 99 6.936 -5.280 -25.663 1.00 30.21 N ATOM 0 H ARG A 99 2.819 -2.288 -21.600 1.00 32.45 H new ATOM 0 HA ARG A 99 1.669 -4.845 -20.994 1.00 22.45 H new ATOM 0 HB2 ARG A 99 3.032 -4.294 -23.025 1.00 5.33 H new ATOM 0 HB3 ARG A 99 4.435 -4.076 -21.997 1.00 5.33 H new ATOM 0 HG2 ARG A 99 3.595 -6.591 -21.242 1.00 51.11 H new ATOM 0 HG3 ARG A 99 3.143 -6.567 -22.935 1.00 51.11 H new ATOM 0 HD2 ARG A 99 5.902 -6.070 -21.763 1.00 72.13 H new ATOM 0 HD3 ARG A 99 5.401 -7.428 -22.751 1.00 72.13 H new ATOM 0 HE ARG A 99 5.147 -4.767 -24.014 1.00 31.05 H new ATOM 0 HH11 ARG A 99 6.999 -7.750 -23.594 1.00 55.11 H new ATOM 0 HH12 ARG A 99 7.993 -7.471 -25.028 1.00 55.11 H new ATOM 0 HH21 ARG A 99 6.443 -4.404 -25.838 1.00 30.21 H new ATOM 0 HH22 ARG A 99 7.678 -5.583 -26.294 1.00 30.21 H new ATOM 1671 N ALA A 100 4.213 -3.711 -19.222 1.00 53.24 N ATOM 1672 CA ALA A 100 5.015 -3.913 -18.021 1.00 42.45 C ATOM 1673 C ALA A 100 4.177 -3.786 -16.753 1.00 30.11 C ATOM 1674 O ALA A 100 4.600 -4.218 -15.681 1.00 1.25 O ATOM 1675 CB ALA A 100 6.174 -2.927 -17.994 1.00 62.14 C ATOM 0 H ALA A 100 4.430 -2.853 -19.728 1.00 53.24 H new ATOM 0 HA ALA A 100 5.410 -4.929 -18.051 1.00 42.45 H new ATOM 0 HB1 ALA A 100 6.766 -3.086 -17.093 1.00 62.14 H new ATOM 0 HB2 ALA A 100 6.801 -3.079 -18.872 1.00 62.14 H new ATOM 0 HB3 ALA A 100 5.785 -1.909 -17.997 1.00 62.14 H new ATOM 1681 N LEU A 101 2.989 -3.198 -16.878 1.00 35.32 N ATOM 1682 CA LEU A 101 2.083 -3.048 -15.743 1.00 75.34 C ATOM 1683 C LEU A 101 1.784 -4.397 -15.100 1.00 61.24 C ATOM 1684 O LEU A 101 1.885 -4.548 -13.887 1.00 11.11 O ATOM 1685 CB LEU A 101 0.772 -2.381 -16.172 1.00 11.10 C ATOM 1686 CG LEU A 101 0.878 -0.910 -16.575 1.00 52.12 C ATOM 1687 CD1 LEU A 101 -0.488 -0.370 -16.973 1.00 71.34 C ATOM 1688 CD2 LEU A 101 1.466 -0.088 -15.439 1.00 65.53 C ATOM 0 H LEU A 101 2.632 -2.818 -17.755 1.00 35.32 H new ATOM 0 HA LEU A 101 2.580 -2.411 -15.011 1.00 75.34 H new ATOM 0 HB2 LEU A 101 0.359 -2.940 -17.012 1.00 11.10 H new ATOM 0 HB3 LEU A 101 0.058 -2.464 -15.352 1.00 11.10 H new ATOM 0 HG LEU A 101 1.544 -0.833 -17.435 1.00 52.12 H new ATOM 0 HD11 LEU A 101 -0.396 0.678 -17.257 1.00 71.34 H new ATOM 0 HD12 LEU A 101 -0.874 -0.942 -17.817 1.00 71.34 H new ATOM 0 HD13 LEU A 101 -1.174 -0.459 -16.130 1.00 71.34 H new ATOM 0 HD21 LEU A 101 1.534 0.956 -15.743 1.00 65.53 H new ATOM 0 HD22 LEU A 101 0.825 -0.169 -14.561 1.00 65.53 H new ATOM 0 HD23 LEU A 101 2.461 -0.461 -15.197 1.00 65.53 H new ATOM 1700 N SER A 102 1.446 -5.381 -15.922 1.00 41.42 N ATOM 1701 CA SER A 102 1.083 -6.703 -15.425 1.00 40.02 C ATOM 1702 C SER A 102 2.319 -7.441 -14.909 1.00 3.14 C ATOM 1703 O SER A 102 2.226 -8.288 -14.018 1.00 63.13 O ATOM 1704 CB SER A 102 0.392 -7.510 -16.530 1.00 33.24 C ATOM 1705 OG SER A 102 -0.200 -8.694 -16.019 1.00 40.52 O ATOM 0 H SER A 102 1.415 -5.290 -16.937 1.00 41.42 H new ATOM 0 HA SER A 102 0.387 -6.585 -14.594 1.00 40.02 H new ATOM 0 HB2 SER A 102 -0.373 -6.896 -17.006 1.00 33.24 H new ATOM 0 HB3 SER A 102 1.118 -7.769 -17.301 1.00 33.24 H new ATOM 0 HG SER A 102 -0.633 -9.184 -16.749 1.00 40.52 H new ATOM 1711 N GLU A 103 3.478 -7.098 -15.462 1.00 13.15 N ATOM 1712 CA GLU A 103 4.739 -7.694 -15.035 1.00 4.32 C ATOM 1713 C GLU A 103 5.110 -7.190 -13.643 1.00 62.40 C ATOM 1714 O GLU A 103 5.474 -7.965 -12.762 1.00 75.12 O ATOM 1715 CB GLU A 103 5.847 -7.352 -16.037 1.00 13.15 C ATOM 1716 CG GLU A 103 7.208 -7.945 -15.696 1.00 2.43 C ATOM 1717 CD GLU A 103 7.232 -9.457 -15.789 1.00 13.23 C ATOM 1718 OE1 GLU A 103 7.522 -9.983 -16.885 1.00 4.54 O ATOM 1719 OE2 GLU A 103 6.978 -10.126 -14.768 1.00 5.34 O ATOM 0 H GLU A 103 3.570 -6.409 -16.208 1.00 13.15 H new ATOM 0 HA GLU A 103 4.625 -8.777 -14.996 1.00 4.32 H new ATOM 0 HB2 GLU A 103 5.548 -7.703 -17.025 1.00 13.15 H new ATOM 0 HB3 GLU A 103 5.942 -6.268 -16.100 1.00 13.15 H new ATOM 0 HG2 GLU A 103 7.958 -7.533 -16.371 1.00 2.43 H new ATOM 0 HG3 GLU A 103 7.488 -7.644 -14.686 1.00 2.43 H new ATOM 1726 N ALA A 104 4.996 -5.883 -13.452 1.00 54.41 N ATOM 1727 CA ALA A 104 5.317 -5.272 -12.171 1.00 45.13 C ATOM 1728 C ALA A 104 4.241 -5.571 -11.134 1.00 61.43 C ATOM 1729 O ALA A 104 4.528 -5.674 -9.943 1.00 35.53 O ATOM 1730 CB ALA A 104 5.503 -3.769 -12.333 1.00 13.13 C ATOM 0 H ALA A 104 4.684 -5.226 -14.167 1.00 54.41 H new ATOM 0 HA ALA A 104 6.253 -5.703 -11.815 1.00 45.13 H new ATOM 0 HB1 ALA A 104 5.743 -3.326 -11.366 1.00 13.13 H new ATOM 0 HB2 ALA A 104 6.317 -3.576 -13.032 1.00 13.13 H new ATOM 0 HB3 ALA A 104 4.583 -3.328 -12.716 1.00 13.13 H new ATOM 1736 N LEU A 105 3.008 -5.730 -11.595 1.00 42.51 N ATOM 1737 CA LEU A 105 1.875 -5.963 -10.705 1.00 13.21 C ATOM 1738 C LEU A 105 2.039 -7.280 -9.947 1.00 12.24 C ATOM 1739 O LEU A 105 1.709 -7.368 -8.762 1.00 65.41 O ATOM 1740 CB LEU A 105 0.567 -5.955 -11.515 1.00 73.52 C ATOM 1741 CG LEU A 105 -0.736 -5.785 -10.712 1.00 3.41 C ATOM 1742 CD1 LEU A 105 -1.144 -7.080 -10.021 1.00 42.41 C ATOM 1743 CD2 LEU A 105 -0.597 -4.663 -9.691 1.00 14.53 C ATOM 0 H LEU A 105 2.764 -5.702 -12.585 1.00 42.51 H new ATOM 0 HA LEU A 105 1.837 -5.161 -9.968 1.00 13.21 H new ATOM 0 HB2 LEU A 105 0.624 -5.150 -12.248 1.00 73.52 H new ATOM 0 HB3 LEU A 105 0.505 -6.890 -12.073 1.00 73.52 H new ATOM 0 HG LEU A 105 -1.522 -5.522 -11.419 1.00 3.41 H new ATOM 0 HD11 LEU A 105 -2.068 -6.920 -9.465 1.00 42.41 H new ATOM 0 HD12 LEU A 105 -1.301 -7.858 -10.769 1.00 42.41 H new ATOM 0 HD13 LEU A 105 -0.356 -7.390 -9.335 1.00 42.41 H new ATOM 0 HD21 LEU A 105 -1.529 -4.560 -9.135 1.00 14.53 H new ATOM 0 HD22 LEU A 105 0.214 -4.897 -9.001 1.00 14.53 H new ATOM 0 HD23 LEU A 105 -0.376 -3.728 -10.206 1.00 14.53 H new ATOM 1755 N GLU A 106 2.582 -8.296 -10.613 1.00 34.50 N ATOM 1756 CA GLU A 106 2.718 -9.609 -9.994 1.00 33.34 C ATOM 1757 C GLU A 106 3.735 -9.566 -8.856 1.00 53.14 C ATOM 1758 O GLU A 106 3.715 -10.420 -7.969 1.00 51.04 O ATOM 1759 CB GLU A 106 3.086 -10.680 -11.033 1.00 43.04 C ATOM 1760 CG GLU A 106 4.524 -10.640 -11.532 1.00 51.25 C ATOM 1761 CD GLU A 106 5.404 -11.676 -10.857 1.00 2.22 C ATOM 1762 OE1 GLU A 106 5.010 -12.858 -10.808 1.00 34.41 O ATOM 1763 OE2 GLU A 106 6.496 -11.317 -10.369 1.00 71.24 O ATOM 0 H GLU A 106 2.931 -8.236 -11.570 1.00 34.50 H new ATOM 0 HA GLU A 106 1.752 -9.885 -9.571 1.00 33.34 H new ATOM 0 HB2 GLU A 106 2.897 -11.662 -10.600 1.00 43.04 H new ATOM 0 HB3 GLU A 106 2.419 -10.576 -11.889 1.00 43.04 H new ATOM 0 HG2 GLU A 106 4.536 -10.805 -12.609 1.00 51.25 H new ATOM 0 HG3 GLU A 106 4.938 -9.647 -11.357 1.00 51.25 H new ATOM 1770 N LYS A 107 4.608 -8.558 -8.866 1.00 30.12 N ATOM 1771 CA LYS A 107 5.572 -8.389 -7.785 1.00 33.34 C ATOM 1772 C LYS A 107 4.828 -8.055 -6.496 1.00 53.51 C ATOM 1773 O LYS A 107 5.171 -8.544 -5.418 1.00 2.10 O ATOM 1774 CB LYS A 107 6.585 -7.270 -8.088 1.00 13.43 C ATOM 1775 CG LYS A 107 7.150 -7.266 -9.505 1.00 60.45 C ATOM 1776 CD LYS A 107 7.630 -8.636 -9.950 1.00 23.20 C ATOM 1777 CE LYS A 107 8.646 -9.235 -8.993 1.00 52.02 C ATOM 1778 NZ LYS A 107 8.986 -10.629 -9.375 1.00 2.15 N ATOM 0 H LYS A 107 4.666 -7.855 -9.603 1.00 30.12 H new ATOM 0 HA LYS A 107 6.124 -9.323 -7.680 1.00 33.34 H new ATOM 0 HB2 LYS A 107 6.105 -6.309 -7.903 1.00 13.43 H new ATOM 0 HB3 LYS A 107 7.414 -7.353 -7.385 1.00 13.43 H new ATOM 0 HG2 LYS A 107 6.385 -6.912 -10.196 1.00 60.45 H new ATOM 0 HG3 LYS A 107 7.979 -6.560 -9.559 1.00 60.45 H new ATOM 0 HD2 LYS A 107 6.775 -9.307 -10.034 1.00 23.20 H new ATOM 0 HD3 LYS A 107 8.073 -8.558 -10.943 1.00 23.20 H new ATOM 0 HE2 LYS A 107 9.550 -8.625 -8.989 1.00 52.02 H new ATOM 0 HE3 LYS A 107 8.247 -9.220 -7.979 1.00 52.02 H new ATOM 0 HZ1 LYS A 107 9.426 -11.113 -8.567 1.00 2.15 H new ATOM 0 HZ2 LYS A 107 8.120 -11.134 -9.651 1.00 2.15 H new ATOM 0 HZ3 LYS A 107 9.650 -10.618 -10.175 1.00 2.15 H new ATOM 1792 N LEU A 108 3.796 -7.225 -6.630 1.00 61.24 N ATOM 1793 CA LEU A 108 2.963 -6.843 -5.500 1.00 21.15 C ATOM 1794 C LEU A 108 2.153 -8.038 -5.019 1.00 60.14 C ATOM 1795 O LEU A 108 2.002 -8.249 -3.818 1.00 40.24 O ATOM 1796 CB LEU A 108 2.011 -5.690 -5.864 1.00 63.32 C ATOM 1797 CG LEU A 108 2.663 -4.320 -6.105 1.00 70.24 C ATOM 1798 CD1 LEU A 108 3.638 -3.984 -4.992 1.00 34.14 C ATOM 1799 CD2 LEU A 108 3.352 -4.263 -7.459 1.00 74.34 C ATOM 0 H LEU A 108 3.518 -6.804 -7.517 1.00 61.24 H new ATOM 0 HA LEU A 108 3.624 -6.502 -4.703 1.00 21.15 H new ATOM 0 HB2 LEU A 108 1.462 -5.970 -6.763 1.00 63.32 H new ATOM 0 HB3 LEU A 108 1.279 -5.585 -5.063 1.00 63.32 H new ATOM 0 HG LEU A 108 1.870 -3.572 -6.105 1.00 70.24 H new ATOM 0 HD11 LEU A 108 4.087 -3.010 -5.184 1.00 34.14 H new ATOM 0 HD12 LEU A 108 3.108 -3.958 -4.040 1.00 34.14 H new ATOM 0 HD13 LEU A 108 4.420 -4.743 -4.952 1.00 34.14 H new ATOM 0 HD21 LEU A 108 3.803 -3.280 -7.597 1.00 74.34 H new ATOM 0 HD22 LEU A 108 4.128 -5.027 -7.505 1.00 74.34 H new ATOM 0 HD23 LEU A 108 2.620 -4.441 -8.247 1.00 74.34 H new ATOM 1811 N TRP A 109 1.645 -8.818 -5.968 1.00 54.23 N ATOM 1812 CA TRP A 109 0.874 -10.020 -5.659 1.00 62.11 C ATOM 1813 C TRP A 109 1.685 -10.988 -4.799 1.00 73.20 C ATOM 1814 O TRP A 109 1.232 -11.418 -3.736 1.00 54.31 O ATOM 1815 CB TRP A 109 0.430 -10.704 -6.961 1.00 53.40 C ATOM 1816 CG TRP A 109 -0.125 -12.087 -6.772 1.00 23.34 C ATOM 1817 CD1 TRP A 109 0.386 -13.246 -7.280 1.00 64.13 C ATOM 1818 CD2 TRP A 109 -1.287 -12.458 -6.021 1.00 2.11 C ATOM 1819 NE1 TRP A 109 -0.395 -14.314 -6.905 1.00 52.42 N ATOM 1820 CE2 TRP A 109 -1.424 -13.857 -6.128 1.00 3.53 C ATOM 1821 CE3 TRP A 109 -2.227 -11.744 -5.270 1.00 13.31 C ATOM 1822 CZ2 TRP A 109 -2.464 -14.552 -5.513 1.00 12.42 C ATOM 1823 CZ3 TRP A 109 -3.256 -12.436 -4.659 1.00 32.34 C ATOM 1824 CH2 TRP A 109 -3.367 -13.825 -4.782 1.00 71.34 C ATOM 0 H TRP A 109 1.754 -8.638 -6.966 1.00 54.23 H new ATOM 0 HA TRP A 109 -0.008 -9.726 -5.090 1.00 62.11 H new ATOM 0 HB2 TRP A 109 -0.325 -10.084 -7.444 1.00 53.40 H new ATOM 0 HB3 TRP A 109 1.281 -10.756 -7.640 1.00 53.40 H new ATOM 0 HD1 TRP A 109 1.275 -13.315 -7.889 1.00 64.13 H new ATOM 0 HE1 TRP A 109 -0.234 -15.287 -7.164 1.00 52.42 H new ATOM 0 HE3 TRP A 109 -2.150 -10.671 -5.169 1.00 13.31 H new ATOM 0 HZ2 TRP A 109 -2.555 -15.624 -5.609 1.00 12.42 H new ATOM 0 HZ3 TRP A 109 -3.987 -11.895 -4.077 1.00 32.34 H new ATOM 0 HH2 TRP A 109 -4.182 -14.336 -4.290 1.00 71.34 H new ATOM 1835 N ARG A 110 2.887 -11.301 -5.256 1.00 14.33 N ATOM 1836 CA ARG A 110 3.760 -12.243 -4.562 1.00 32.42 C ATOM 1837 C ARG A 110 4.139 -11.732 -3.175 1.00 73.33 C ATOM 1838 O ARG A 110 4.190 -12.500 -2.211 1.00 64.54 O ATOM 1839 CB ARG A 110 5.009 -12.491 -5.401 1.00 20.44 C ATOM 1840 CG ARG A 110 4.702 -13.174 -6.723 1.00 12.55 C ATOM 1841 CD ARG A 110 5.791 -12.932 -7.749 1.00 34.22 C ATOM 1842 NE ARG A 110 7.063 -13.547 -7.388 1.00 4.44 N ATOM 1843 CZ ARG A 110 7.982 -13.902 -8.278 1.00 73.34 C ATOM 1844 NH1 ARG A 110 7.786 -13.662 -9.570 1.00 52.35 N ATOM 1845 NH2 ARG A 110 9.105 -14.483 -7.884 1.00 0.10 N ATOM 0 H ARG A 110 3.286 -10.914 -6.112 1.00 14.33 H new ATOM 0 HA ARG A 110 3.221 -13.181 -4.428 1.00 32.42 H new ATOM 0 HB2 ARG A 110 5.506 -11.540 -5.595 1.00 20.44 H new ATOM 0 HB3 ARG A 110 5.707 -13.106 -4.833 1.00 20.44 H new ATOM 0 HG2 ARG A 110 4.588 -14.246 -6.560 1.00 12.55 H new ATOM 0 HG3 ARG A 110 3.751 -12.807 -7.109 1.00 12.55 H new ATOM 0 HD2 ARG A 110 5.466 -13.322 -8.714 1.00 34.22 H new ATOM 0 HD3 ARG A 110 5.935 -11.858 -7.871 1.00 34.22 H new ATOM 0 HE ARG A 110 7.257 -13.713 -6.400 1.00 4.44 H new ATOM 0 HH11 ARG A 110 6.929 -13.204 -9.879 1.00 52.35 H new ATOM 0 HH12 ARG A 110 8.493 -13.935 -10.252 1.00 52.35 H new ATOM 0 HH21 ARG A 110 9.267 -14.660 -6.893 1.00 0.10 H new ATOM 0 HH22 ARG A 110 9.808 -14.754 -8.572 1.00 0.10 H new ATOM 1859 N ARG A 111 4.393 -10.433 -3.079 1.00 30.14 N ATOM 1860 CA ARG A 111 4.712 -9.807 -1.801 1.00 12.33 C ATOM 1861 C ARG A 111 3.498 -9.851 -0.875 1.00 73.50 C ATOM 1862 O ARG A 111 3.605 -10.212 0.296 1.00 5.45 O ATOM 1863 CB ARG A 111 5.140 -8.350 -2.017 1.00 14.34 C ATOM 1864 CG ARG A 111 5.551 -7.635 -0.739 1.00 61.31 C ATOM 1865 CD ARG A 111 6.887 -8.142 -0.220 1.00 12.34 C ATOM 1866 NE ARG A 111 7.994 -7.756 -1.097 1.00 41.50 N ATOM 1867 CZ ARG A 111 9.236 -8.233 -0.985 1.00 15.21 C ATOM 1868 NH1 ARG A 111 9.515 -9.157 -0.071 1.00 71.12 N ATOM 1869 NH2 ARG A 111 10.194 -7.793 -1.795 1.00 34.33 N ATOM 0 H ARG A 111 4.384 -9.791 -3.872 1.00 30.14 H new ATOM 0 HA ARG A 111 5.533 -10.357 -1.342 1.00 12.33 H new ATOM 0 HB2 ARG A 111 5.973 -8.326 -2.720 1.00 14.34 H new ATOM 0 HB3 ARG A 111 4.317 -7.804 -2.479 1.00 14.34 H new ATOM 0 HG2 ARG A 111 5.615 -6.563 -0.926 1.00 61.31 H new ATOM 0 HG3 ARG A 111 4.785 -7.781 0.023 1.00 61.31 H new ATOM 0 HD2 ARG A 111 7.062 -7.747 0.781 1.00 12.34 H new ATOM 0 HD3 ARG A 111 6.854 -9.228 -0.133 1.00 12.34 H new ATOM 0 HE ARG A 111 7.805 -7.082 -1.839 1.00 41.50 H new ATOM 0 HH11 ARG A 111 8.780 -9.502 0.546 1.00 71.12 H new ATOM 0 HH12 ARG A 111 10.464 -9.521 0.013 1.00 71.12 H new ATOM 0 HH21 ARG A 111 9.981 -7.090 -2.503 1.00 34.33 H new ATOM 0 HH22 ARG A 111 11.143 -8.158 -1.709 1.00 34.33 H new ATOM 1883 N HIS A 112 2.348 -9.493 -1.433 1.00 12.20 N ATOM 1884 CA HIS A 112 1.093 -9.401 -0.693 1.00 32.30 C ATOM 1885 C HIS A 112 0.658 -10.763 -0.156 1.00 54.31 C ATOM 1886 O HIS A 112 0.213 -10.872 0.987 1.00 22.24 O ATOM 1887 CB HIS A 112 0.011 -8.825 -1.619 1.00 34.31 C ATOM 1888 CG HIS A 112 -1.325 -8.603 -0.982 1.00 3.13 C ATOM 1889 ND1 HIS A 112 -2.429 -9.373 -1.275 1.00 71.13 N ATOM 1890 CD2 HIS A 112 -1.748 -7.659 -0.108 1.00 14.03 C ATOM 1891 CE1 HIS A 112 -3.472 -8.912 -0.613 1.00 54.42 C ATOM 1892 NE2 HIS A 112 -3.087 -7.873 0.104 1.00 54.33 N ATOM 0 H HIS A 112 2.258 -9.256 -2.421 1.00 12.20 H new ATOM 0 HA HIS A 112 1.239 -8.745 0.165 1.00 32.30 H new ATOM 0 HB2 HIS A 112 0.367 -7.875 -2.019 1.00 34.31 H new ATOM 0 HB3 HIS A 112 -0.116 -9.500 -2.465 1.00 34.31 H new ATOM 0 HD1 HIS A 112 -2.438 -10.175 -1.906 1.00 71.13 H new ATOM 0 HD2 HIS A 112 -1.144 -6.883 0.339 1.00 14.03 H new ATOM 0 HE1 HIS A 112 -4.473 -9.316 -0.651 1.00 54.42 H new ATOM 1901 N CYS A 113 0.800 -11.791 -0.980 1.00 20.03 N ATOM 1902 CA CYS A 113 0.344 -13.131 -0.629 1.00 11.20 C ATOM 1903 C CYS A 113 1.132 -13.698 0.555 1.00 64.35 C ATOM 1904 O CYS A 113 0.583 -14.424 1.387 1.00 3.20 O ATOM 1905 CB CYS A 113 0.467 -14.057 -1.844 1.00 14.11 C ATOM 1906 SG CYS A 113 -0.284 -15.684 -1.619 1.00 62.13 S ATOM 0 H CYS A 113 1.230 -11.723 -1.902 1.00 20.03 H new ATOM 0 HA CYS A 113 -0.702 -13.067 -0.329 1.00 11.20 H new ATOM 0 HB2 CYS A 113 0.004 -13.572 -2.704 1.00 14.11 H new ATOM 0 HB3 CYS A 113 1.523 -14.187 -2.081 1.00 14.11 H new ATOM 0 HG CYS A 113 -1.536 -15.543 -1.297 1.00 62.13 H new ATOM 1912 N ARG A 114 2.412 -13.348 0.640 1.00 23.24 N ATOM 1913 CA ARG A 114 3.271 -13.848 1.710 1.00 35.05 C ATOM 1914 C ARG A 114 3.303 -12.896 2.902 1.00 24.30 C ATOM 1915 O ARG A 114 3.743 -13.273 3.986 1.00 53.02 O ATOM 1916 CB ARG A 114 4.696 -14.087 1.200 1.00 44.21 C ATOM 1917 CG ARG A 114 4.882 -15.428 0.511 1.00 51.45 C ATOM 1918 CD ARG A 114 4.645 -16.581 1.475 1.00 41.25 C ATOM 1919 NE ARG A 114 4.936 -17.877 0.865 1.00 54.11 N ATOM 1920 CZ ARG A 114 4.590 -19.050 1.398 1.00 23.32 C ATOM 1921 NH1 ARG A 114 3.948 -19.097 2.562 1.00 24.10 N ATOM 1922 NH2 ARG A 114 4.895 -20.179 0.771 1.00 44.21 N ATOM 0 H ARG A 114 2.877 -12.722 -0.017 1.00 23.24 H new ATOM 0 HA ARG A 114 2.847 -14.795 2.042 1.00 35.05 H new ATOM 0 HB2 ARG A 114 4.961 -13.291 0.504 1.00 44.21 H new ATOM 0 HB3 ARG A 114 5.388 -14.021 2.039 1.00 44.21 H new ATOM 0 HG2 ARG A 114 4.193 -15.506 -0.330 1.00 51.45 H new ATOM 0 HG3 ARG A 114 5.891 -15.493 0.103 1.00 51.45 H new ATOM 0 HD2 ARG A 114 5.269 -16.448 2.358 1.00 41.25 H new ATOM 0 HD3 ARG A 114 3.608 -16.564 1.812 1.00 41.25 H new ATOM 0 HE ARG A 114 5.435 -17.885 -0.024 1.00 54.11 H new ATOM 0 HH11 ARG A 114 3.717 -18.233 3.052 1.00 24.10 H new ATOM 0 HH12 ARG A 114 3.686 -19.997 2.964 1.00 24.10 H new ATOM 0 HH21 ARG A 114 5.394 -20.150 -0.118 1.00 44.21 H new ATOM 0 HH22 ARG A 114 4.631 -21.076 1.178 1.00 44.21 H new ATOM 1936 N LEU A 115 2.828 -11.673 2.706 1.00 20.53 N ATOM 1937 CA LEU A 115 2.872 -10.657 3.756 1.00 75.11 C ATOM 1938 C LEU A 115 2.015 -11.070 4.952 1.00 63.21 C ATOM 1939 O LEU A 115 2.432 -10.945 6.104 1.00 33.33 O ATOM 1940 CB LEU A 115 2.396 -9.306 3.210 1.00 0.22 C ATOM 1941 CG LEU A 115 2.491 -8.135 4.194 1.00 54.23 C ATOM 1942 CD1 LEU A 115 3.941 -7.877 4.583 1.00 4.13 C ATOM 1943 CD2 LEU A 115 1.861 -6.884 3.597 1.00 2.42 C ATOM 0 H LEU A 115 2.408 -11.358 1.832 1.00 20.53 H new ATOM 0 HA LEU A 115 3.905 -10.561 4.090 1.00 75.11 H new ATOM 0 HB2 LEU A 115 2.982 -9.063 2.324 1.00 0.22 H new ATOM 0 HB3 LEU A 115 1.359 -9.407 2.889 1.00 0.22 H new ATOM 0 HG LEU A 115 1.939 -8.398 5.097 1.00 54.23 H new ATOM 0 HD11 LEU A 115 3.987 -7.042 5.282 1.00 4.13 H new ATOM 0 HD12 LEU A 115 4.355 -8.768 5.054 1.00 4.13 H new ATOM 0 HD13 LEU A 115 4.520 -7.636 3.691 1.00 4.13 H new ATOM 0 HD21 LEU A 115 1.937 -6.063 4.309 1.00 2.42 H new ATOM 0 HD22 LEU A 115 2.383 -6.617 2.678 1.00 2.42 H new ATOM 0 HD23 LEU A 115 0.811 -7.076 3.376 1.00 2.42 H new ATOM 1955 N ALA A 116 0.830 -11.598 4.671 1.00 40.33 N ATOM 1956 CA ALA A 116 -0.104 -11.997 5.722 1.00 31.14 C ATOM 1957 C ALA A 116 0.262 -13.360 6.304 1.00 22.25 C ATOM 1958 O ALA A 116 -0.488 -13.933 7.097 1.00 22.24 O ATOM 1959 CB ALA A 116 -1.524 -12.017 5.176 1.00 51.34 C ATOM 0 H ALA A 116 0.491 -11.761 3.723 1.00 40.33 H new ATOM 0 HA ALA A 116 -0.041 -11.265 6.527 1.00 31.14 H new ATOM 0 HB1 ALA A 116 -2.213 -12.315 5.966 1.00 51.34 H new ATOM 0 HB2 ALA A 116 -1.790 -11.022 4.818 1.00 51.34 H new ATOM 0 HB3 ALA A 116 -1.587 -12.728 4.352 1.00 51.34 H new ATOM 1965 N ARG A 117 1.414 -13.877 5.900 1.00 32.23 N ATOM 1966 CA ARG A 117 1.897 -15.162 6.379 1.00 75.43 C ATOM 1967 C ARG A 117 3.386 -15.096 6.695 1.00 74.12 C ATOM 1968 O ARG A 117 4.072 -16.119 6.738 1.00 55.34 O ATOM 1969 CB ARG A 117 1.622 -16.242 5.337 1.00 51.14 C ATOM 1970 CG ARG A 117 0.223 -16.821 5.438 1.00 0.02 C ATOM 1971 CD ARG A 117 -0.129 -17.666 4.231 1.00 73.33 C ATOM 1972 NE ARG A 117 -0.398 -16.839 3.058 1.00 31.30 N ATOM 1973 CZ ARG A 117 -1.390 -17.066 2.199 1.00 24.54 C ATOM 1974 NH1 ARG A 117 -2.147 -18.149 2.314 1.00 55.24 N ATOM 1975 NH2 ARG A 117 -1.607 -16.214 1.209 1.00 51.23 N ATOM 0 H ARG A 117 2.037 -13.419 5.234 1.00 32.23 H new ATOM 0 HA ARG A 117 1.366 -15.412 7.298 1.00 75.43 H new ATOM 0 HB2 ARG A 117 1.765 -15.823 4.341 1.00 51.14 H new ATOM 0 HB3 ARG A 117 2.351 -17.044 5.453 1.00 51.14 H new ATOM 0 HG2 ARG A 117 0.146 -17.428 6.340 1.00 0.02 H new ATOM 0 HG3 ARG A 117 -0.499 -16.010 5.536 1.00 0.02 H new ATOM 0 HD2 ARG A 117 0.690 -18.351 4.014 1.00 73.33 H new ATOM 0 HD3 ARG A 117 -1.004 -18.276 4.456 1.00 73.33 H new ATOM 0 HE ARG A 117 0.211 -16.039 2.886 1.00 31.30 H new ATOM 0 HH11 ARG A 117 -1.972 -18.816 3.065 1.00 55.24 H new ATOM 0 HH12 ARG A 117 -2.905 -18.314 1.651 1.00 55.24 H new ATOM 0 HH21 ARG A 117 -1.016 -15.389 1.107 1.00 51.23 H new ATOM 0 HH22 ARG A 117 -2.365 -16.383 0.548 1.00 51.23 H new