USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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 52 GLN : amide:sc= 2.25 K(o=3.5,f=-2.4) USER MOD Set 1.2: A 116 THR OG1 : rot -153:sc= 1.29 USER MOD Set 2.1: A 78 LYS NZ :NH3+ -157:sc= 0.956 (180deg=-1.48!) USER MOD Set 2.2: A 94 GLN : amide:sc= 0.37 K(o=1.3,f=-5.3!) USER MOD Set 3.1: A 37 GLN : amide:sc= -1.35! C(o=0.45!,f=-7.4!) USER MOD Set 3.2: A 107 THR OG1 : rot 86:sc= 1.81 USER MOD Single : A 21 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.68) USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0794) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.28 F(o=-2.6!,f=-1.3) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HE2:sc= 0.12 F(o=-0.49,f=0.12) USER MOD Single : A 39 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.24) USER MOD Single : A 44 ASN : amide:sc= -0.912! C(o=-0.91!,f=-3.1!) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.19 (180deg=-0.708) USER MOD Single : A 48 SER OG : rot 180:sc= 0.00506 USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0155) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -69:sc= 1.26 USER MOD Single : A 65 MET CE :methyl -117:sc= -0.834 (180deg=-1.37) USER MOD Single : A 70 GLN : amide:sc= -0.502 K(o=-0.5,f=-2.9!) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 90 TYR OH : rot 176:sc=-0.00382 USER MOD Single : A 95 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 97 SER OG : rot -78:sc= 0.752 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -134:sc= -0.211 (180deg=-0.891!) USER MOD Single : A 109 GLN : amide:sc= -0.0217 K(o=-0.022,f=-1.1) USER MOD Single : A 110 LYS NZ :NH3+ 165:sc= -0.0263 (180deg=-0.249) USER MOD Single : A 112 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00532) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 297 N LEU A 18 1.073 17.339 -0.132 1.00 0.00 N ATOM 298 CA LEU A 18 0.236 16.153 -0.123 1.00 0.00 C ATOM 299 C LEU A 18 0.654 15.184 -1.215 1.00 0.00 C ATOM 300 O LEU A 18 0.624 13.966 -1.026 1.00 0.00 O ATOM 301 CB LEU A 18 -1.252 16.528 -0.244 1.00 0.00 C ATOM 302 CG LEU A 18 -1.837 17.357 0.925 1.00 0.00 C ATOM 303 CD1 LEU A 18 -1.348 18.801 0.893 1.00 0.00 C ATOM 304 CD2 LEU A 18 -3.348 17.316 0.909 1.00 0.00 C ATOM 0 HA LEU A 18 0.373 15.650 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.391 17.090 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.832 15.610 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.483 16.905 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.781 19.350 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.261 18.819 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.652 19.268 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.737 17.905 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.713 17.729 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.685 16.284 1.007 1.00 0.00 H new ATOM 316 N ILE A 19 1.064 15.725 -2.353 1.00 0.00 N ATOM 317 CA ILE A 19 1.556 14.901 -3.444 1.00 0.00 C ATOM 318 C ILE A 19 2.851 14.201 -3.034 1.00 0.00 C ATOM 319 O ILE A 19 3.108 13.069 -3.433 1.00 0.00 O ATOM 320 CB ILE A 19 1.771 15.733 -4.741 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.420 16.106 -5.346 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.614 14.975 -5.762 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.418 14.898 -5.734 1.00 0.00 C ATOM 0 H ILE A 19 1.065 16.727 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 19 0.799 14.148 -3.661 1.00 0.00 H new ATOM 0 HB ILE A 19 2.313 16.640 -4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.136 16.711 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.583 16.725 -6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.743 15.588 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.590 14.750 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.112 14.045 -6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.365 15.233 -6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.120 14.304 -6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.611 14.290 -4.850 1.00 0.00 H new ATOM 335 N GLU A 20 3.633 14.876 -2.201 1.00 0.00 N ATOM 336 CA GLU A 20 4.881 14.327 -1.683 1.00 0.00 C ATOM 337 C GLU A 20 4.591 13.059 -0.896 1.00 0.00 C ATOM 338 O GLU A 20 5.191 12.012 -1.134 1.00 0.00 O ATOM 339 CB GLU A 20 5.552 15.356 -0.777 1.00 0.00 C ATOM 340 CG GLU A 20 6.909 14.953 -0.243 1.00 0.00 C ATOM 341 CD GLU A 20 7.961 14.865 -1.333 1.00 0.00 C ATOM 342 OE1 GLU A 20 8.576 15.901 -1.655 1.00 0.00 O ATOM 343 OE2 GLU A 20 8.174 13.759 -1.881 1.00 0.00 O ATOM 0 H GLU A 20 3.422 15.816 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 20 5.547 14.089 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.659 16.289 -1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.892 15.559 0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.229 15.675 0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.827 13.988 0.257 1.00 0.00 H new ATOM 350 N GLN A 21 3.639 13.160 0.028 1.00 0.00 N ATOM 351 CA GLN A 21 3.240 12.023 0.852 1.00 0.00 C ATOM 352 C GLN A 21 2.656 10.890 0.013 1.00 0.00 C ATOM 353 O GLN A 21 2.818 9.714 0.341 1.00 0.00 O ATOM 354 CB GLN A 21 2.248 12.453 1.932 1.00 0.00 C ATOM 355 CG GLN A 21 2.907 12.992 3.189 1.00 0.00 C ATOM 356 CD GLN A 21 3.708 11.926 3.921 1.00 0.00 C ATOM 357 OE1 GLN A 21 4.897 11.738 3.670 1.00 0.00 O ATOM 358 NE2 GLN A 21 3.055 11.218 4.824 1.00 0.00 N ATOM 0 H GLN A 21 3.128 14.021 0.225 1.00 0.00 H new ATOM 0 HA GLN A 21 4.141 11.646 1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.588 13.218 1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.622 11.601 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.564 13.821 2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.142 13.391 3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.068 11.405 5.003 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.537 10.484 5.343 1.00 0.00 H new ATOM 367 N ALA A 22 2.013 11.251 -1.092 1.00 0.00 N ATOM 368 CA ALA A 22 1.393 10.269 -1.967 1.00 0.00 C ATOM 369 C ALA A 22 2.458 9.558 -2.789 1.00 0.00 C ATOM 370 O ALA A 22 2.460 8.333 -2.919 1.00 0.00 O ATOM 371 CB ALA A 22 0.375 10.939 -2.880 1.00 0.00 C ATOM 0 H ALA A 22 1.909 12.217 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 22 0.873 9.532 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.080 10.191 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.398 11.414 -2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.874 11.693 -3.490 1.00 0.00 H new ATOM 377 N ASN A 23 3.375 10.357 -3.325 1.00 0.00 N ATOM 378 CA ASN A 23 4.478 9.854 -4.134 1.00 0.00 C ATOM 379 C ASN A 23 5.422 9.021 -3.292 1.00 0.00 C ATOM 380 O ASN A 23 5.991 8.037 -3.764 1.00 0.00 O ATOM 381 CB ASN A 23 5.250 11.001 -4.799 1.00 0.00 C ATOM 382 CG ASN A 23 4.640 11.462 -6.119 1.00 0.00 C ATOM 383 OD1 ASN A 23 3.330 11.345 -6.251 1.00 0.00 O flip ATOM 384 ND2 ASN A 23 5.351 11.923 -7.013 1.00 0.00 N flip ATOM 0 H ASN A 23 3.374 11.371 -3.211 1.00 0.00 H new ATOM 0 HA ASN A 23 4.051 9.227 -4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.291 11.846 -4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.278 10.683 -4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.359 11.998 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.932 12.230 -7.891 1.00 0.00 H new ATOM 391 N HIS A 24 5.584 9.411 -2.042 1.00 0.00 N ATOM 392 CA HIS A 24 6.447 8.682 -1.143 1.00 0.00 C ATOM 393 C HIS A 24 5.836 7.331 -0.793 1.00 0.00 C ATOM 394 O HIS A 24 6.528 6.313 -0.802 1.00 0.00 O ATOM 395 CB HIS A 24 6.731 9.483 0.132 1.00 0.00 C ATOM 396 CG HIS A 24 7.856 8.938 0.950 1.00 0.00 C ATOM 397 ND1 HIS A 24 7.726 8.584 2.273 1.00 0.00 N ATOM 398 CD2 HIS A 24 9.148 8.697 0.626 1.00 0.00 C ATOM 399 CE1 HIS A 24 8.883 8.151 2.726 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.762 8.209 1.749 1.00 0.00 N ATOM 0 H HIS A 24 5.129 10.226 -1.630 1.00 0.00 H new ATOM 0 HA HIS A 24 7.395 8.518 -1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 24 6.959 10.513 -0.141 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.829 9.507 0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.608 8.859 -0.337 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.078 7.806 3.731 1.00 0.00 H new ATOM 0 HE2 HIS A 24 10.742 7.935 1.817 1.00 0.00 H new ATOM 409 N ALA A 25 4.538 7.319 -0.478 1.00 0.00 N ATOM 410 CA ALA A 25 3.844 6.086 -0.132 1.00 0.00 C ATOM 411 C ALA A 25 3.873 5.073 -1.272 1.00 0.00 C ATOM 412 O ALA A 25 4.185 3.902 -1.054 1.00 0.00 O ATOM 413 CB ALA A 25 2.406 6.385 0.272 1.00 0.00 C ATOM 0 H ALA A 25 3.950 8.152 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 25 4.370 5.642 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.899 5.455 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.401 7.050 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.887 6.864 -0.558 1.00 0.00 H new ATOM 419 N ILE A 26 3.554 5.519 -2.489 1.00 0.00 N ATOM 420 CA ILE A 26 3.537 4.613 -3.638 1.00 0.00 C ATOM 421 C ILE A 26 4.932 4.070 -3.931 1.00 0.00 C ATOM 422 O ILE A 26 5.077 2.921 -4.322 1.00 0.00 O ATOM 423 CB ILE A 26 2.939 5.263 -4.916 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.721 6.516 -5.317 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.466 5.591 -4.706 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.229 7.168 -6.593 1.00 0.00 C ATOM 0 H ILE A 26 3.308 6.486 -2.702 1.00 0.00 H new ATOM 0 HA ILE A 26 2.882 3.788 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 26 3.022 4.544 -5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.665 7.242 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.772 6.253 -5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.062 6.046 -5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.917 4.676 -4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.363 6.287 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.834 8.048 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.311 6.460 -7.418 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.187 7.465 -6.472 1.00 0.00 H new ATOM 438 N GLU A 27 5.951 4.908 -3.727 1.00 0.00 N ATOM 439 CA GLU A 27 7.339 4.495 -3.919 1.00 0.00 C ATOM 440 C GLU A 27 7.655 3.331 -2.980 1.00 0.00 C ATOM 441 O GLU A 27 8.152 2.282 -3.400 1.00 0.00 O ATOM 442 CB GLU A 27 8.284 5.660 -3.592 1.00 0.00 C ATOM 443 CG GLU A 27 9.749 5.394 -3.901 1.00 0.00 C ATOM 444 CD GLU A 27 10.067 5.531 -5.371 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.318 6.667 -5.816 1.00 0.00 O ATOM 446 OE2 GLU A 27 10.077 4.509 -6.088 1.00 0.00 O ATOM 0 H GLU A 27 5.839 5.877 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 27 7.477 4.192 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.962 6.539 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.188 5.902 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.368 6.088 -3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.010 4.389 -3.569 1.00 0.00 H new ATOM 453 N LYS A 28 7.325 3.521 -1.711 1.00 0.00 N ATOM 454 CA LYS A 28 7.585 2.529 -0.683 1.00 0.00 C ATOM 455 C LYS A 28 6.759 1.264 -0.926 1.00 0.00 C ATOM 456 O LYS A 28 7.286 0.145 -0.881 1.00 0.00 O ATOM 457 CB LYS A 28 7.254 3.118 0.691 1.00 0.00 C ATOM 458 CG LYS A 28 7.636 2.232 1.862 1.00 0.00 C ATOM 459 CD LYS A 28 7.218 2.859 3.185 1.00 0.00 C ATOM 460 CE LYS A 28 7.761 2.076 4.367 1.00 0.00 C ATOM 461 NZ LYS A 28 7.282 0.674 4.376 1.00 0.00 N ATOM 0 H LYS A 28 6.870 4.367 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 28 8.640 2.257 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.764 4.076 0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.184 3.320 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.162 1.256 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.713 2.066 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.578 3.887 3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.130 2.899 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.851 2.086 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.463 2.566 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.550 0.221 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.247 0.660 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.713 0.155 3.585 1.00 0.00 H new ATOM 475 N GLY A 29 5.466 1.454 -1.190 1.00 0.00 N ATOM 476 CA GLY A 29 4.567 0.339 -1.424 1.00 0.00 C ATOM 477 C GLY A 29 4.966 -0.504 -2.617 1.00 0.00 C ATOM 478 O GLY A 29 4.950 -1.725 -2.559 1.00 0.00 O ATOM 0 H GLY A 29 5.024 2.372 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.539 -0.291 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.557 0.720 -1.577 1.00 0.00 H new ATOM 482 N GLU A 30 5.336 0.165 -3.693 1.00 0.00 N ATOM 483 CA GLU A 30 5.720 -0.515 -4.919 1.00 0.00 C ATOM 484 C GLU A 30 6.966 -1.362 -4.691 1.00 0.00 C ATOM 485 O GLU A 30 7.067 -2.496 -5.172 1.00 0.00 O ATOM 486 CB GLU A 30 5.952 0.486 -6.046 1.00 0.00 C ATOM 487 CG GLU A 30 6.244 -0.171 -7.385 1.00 0.00 C ATOM 488 CD GLU A 30 6.476 0.826 -8.485 1.00 0.00 C ATOM 489 OE1 GLU A 30 7.579 1.407 -8.545 1.00 0.00 O ATOM 490 OE2 GLU A 30 5.561 1.029 -9.315 1.00 0.00 O ATOM 0 H GLU A 30 5.379 1.183 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 30 4.903 -1.173 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.072 1.121 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.785 1.136 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.123 -0.809 -7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.410 -0.817 -7.657 1.00 0.00 H new ATOM 497 N HIS A 31 7.895 -0.809 -3.926 1.00 0.00 N ATOM 498 CA HIS A 31 9.149 -1.474 -3.631 1.00 0.00 C ATOM 499 C HIS A 31 8.916 -2.728 -2.783 1.00 0.00 C ATOM 500 O HIS A 31 9.434 -3.801 -3.088 1.00 0.00 O ATOM 501 CB HIS A 31 10.088 -0.513 -2.908 1.00 0.00 C ATOM 502 CG HIS A 31 11.523 -0.927 -2.956 1.00 0.00 C ATOM 503 ND1 HIS A 31 12.185 -1.484 -1.887 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.428 -0.852 -3.958 1.00 0.00 C ATOM 505 CE1 HIS A 31 13.431 -1.733 -2.229 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.604 -1.360 -3.479 1.00 0.00 N ATOM 0 H HIS A 31 7.799 0.110 -3.495 1.00 0.00 H new ATOM 0 HA HIS A 31 9.607 -1.782 -4.571 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.990 0.479 -3.350 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.777 -0.430 -1.866 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.255 -0.464 -4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.185 -2.170 -1.591 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.474 -1.437 -4.005 1.00 0.00 H new ATOM 515 N GLN A 32 8.135 -2.584 -1.718 1.00 0.00 N ATOM 516 CA GLN A 32 7.825 -3.716 -0.843 1.00 0.00 C ATOM 517 C GLN A 32 6.963 -4.740 -1.586 1.00 0.00 C ATOM 518 O GLN A 32 7.034 -5.938 -1.302 1.00 0.00 O ATOM 519 CB GLN A 32 7.153 -3.233 0.471 1.00 0.00 C ATOM 520 CG GLN A 32 5.735 -2.659 0.328 1.00 0.00 C ATOM 521 CD GLN A 32 4.633 -3.723 0.244 1.00 0.00 C ATOM 522 OE1 GLN A 32 4.826 -4.850 0.915 1.00 0.00 O flip ATOM 523 NE2 GLN A 32 3.613 -3.520 -0.404 1.00 0.00 N flip ATOM 0 H GLN A 32 7.706 -1.702 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 32 8.756 -4.209 -0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.116 -4.071 1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.789 -2.471 0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.531 -2.007 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.695 -2.038 -0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.496 -2.642 -0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.881 -4.229 -0.438 1.00 0.00 H new ATOM 532 N LEU A 33 6.177 -4.274 -2.549 1.00 0.00 N ATOM 533 CA LEU A 33 5.347 -5.159 -3.348 1.00 0.00 C ATOM 534 C LEU A 33 6.215 -6.019 -4.256 1.00 0.00 C ATOM 535 O LEU A 33 6.077 -7.239 -4.271 1.00 0.00 O ATOM 536 CB LEU A 33 4.308 -4.345 -4.159 1.00 0.00 C ATOM 537 CG LEU A 33 3.374 -5.125 -5.126 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.028 -5.301 -6.489 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.976 -6.488 -4.549 1.00 0.00 C ATOM 0 H LEU A 33 6.099 -3.287 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 33 4.797 -5.824 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.681 -3.803 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.848 -3.599 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 33 2.467 -4.533 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.355 -5.850 -7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.240 -4.322 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.959 -5.857 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.323 -7.004 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.871 -7.086 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.450 -6.344 -3.605 1.00 0.00 H new ATOM 551 N LEU A 34 7.144 -5.393 -4.978 1.00 0.00 N ATOM 552 CA LEU A 34 7.993 -6.141 -5.894 1.00 0.00 C ATOM 553 C LEU A 34 8.888 -7.104 -5.126 1.00 0.00 C ATOM 554 O LEU A 34 9.241 -8.175 -5.624 1.00 0.00 O ATOM 555 CB LEU A 34 8.809 -5.199 -6.819 1.00 0.00 C ATOM 556 CG LEU A 34 9.784 -4.211 -6.147 1.00 0.00 C ATOM 557 CD1 LEU A 34 11.119 -4.876 -5.832 1.00 0.00 C ATOM 558 CD2 LEU A 34 9.994 -2.987 -7.028 1.00 0.00 C ATOM 0 H LEU A 34 7.323 -4.389 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 34 7.350 -6.733 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.381 -5.819 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.104 -4.622 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 34 9.339 -3.892 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.783 -4.153 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.957 -5.716 -5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.573 -5.236 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.685 -2.300 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.409 -3.296 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.039 -2.487 -7.190 1.00 0.00 H new ATOM 570 N TYR A 35 9.240 -6.724 -3.898 1.00 0.00 N ATOM 571 CA TYR A 35 10.035 -7.578 -3.042 1.00 0.00 C ATOM 572 C TYR A 35 9.235 -8.815 -2.653 1.00 0.00 C ATOM 573 O TYR A 35 9.724 -9.945 -2.744 1.00 0.00 O ATOM 574 CB TYR A 35 10.503 -6.831 -1.785 1.00 0.00 C ATOM 575 CG TYR A 35 11.301 -7.702 -0.833 1.00 0.00 C ATOM 576 CD1 TYR A 35 12.640 -7.986 -1.075 1.00 0.00 C ATOM 577 CD2 TYR A 35 10.709 -8.254 0.299 1.00 0.00 C ATOM 578 CE1 TYR A 35 13.365 -8.795 -0.219 1.00 0.00 C ATOM 579 CE2 TYR A 35 11.428 -9.059 1.160 1.00 0.00 C ATOM 580 CZ TYR A 35 12.754 -9.328 0.896 1.00 0.00 C ATOM 581 OH TYR A 35 13.472 -10.141 1.749 1.00 0.00 O ATOM 0 H TYR A 35 8.983 -5.829 -3.482 1.00 0.00 H new ATOM 0 HA TYR A 35 10.922 -7.883 -3.598 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.112 -5.978 -2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.633 -6.434 -1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 35 13.122 -7.568 -1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.669 -8.049 0.508 1.00 0.00 H new ATOM 0 HE1 TYR A 35 14.404 -9.008 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.954 -9.476 2.036 1.00 0.00 H new ATOM 0 HH TYR A 35 12.895 -10.433 2.486 1.00 0.00 H new ATOM 591 N LEU A 36 7.989 -8.588 -2.224 1.00 0.00 N ATOM 592 CA LEU A 36 7.090 -9.651 -1.800 1.00 0.00 C ATOM 593 C LEU A 36 6.834 -10.625 -2.952 1.00 0.00 C ATOM 594 O LEU A 36 6.722 -11.832 -2.735 1.00 0.00 O ATOM 595 CB LEU A 36 5.764 -9.016 -1.305 1.00 0.00 C ATOM 596 CG LEU A 36 4.821 -9.886 -0.443 1.00 0.00 C ATOM 597 CD1 LEU A 36 4.141 -10.966 -1.266 1.00 0.00 C ATOM 598 CD2 LEU A 36 5.572 -10.493 0.735 1.00 0.00 C ATOM 0 H LEU A 36 7.580 -7.656 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 36 7.544 -10.216 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.015 -8.125 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.205 -8.684 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 36 4.039 -9.234 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.487 -11.555 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.551 -10.503 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.896 -11.616 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.889 -11.101 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.386 -11.117 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.980 -9.696 1.356 1.00 0.00 H new ATOM 610 N GLN A 37 6.770 -10.098 -4.174 1.00 0.00 N ATOM 611 CA GLN A 37 6.523 -10.929 -5.353 1.00 0.00 C ATOM 612 C GLN A 37 7.599 -12.003 -5.497 1.00 0.00 C ATOM 613 O GLN A 37 7.329 -13.115 -5.955 1.00 0.00 O ATOM 614 CB GLN A 37 6.454 -10.073 -6.625 1.00 0.00 C ATOM 615 CG GLN A 37 5.350 -9.026 -6.595 1.00 0.00 C ATOM 616 CD GLN A 37 3.955 -9.623 -6.483 1.00 0.00 C ATOM 617 OE1 GLN A 37 3.769 -10.724 -5.973 1.00 0.00 O ATOM 618 NE2 GLN A 37 2.965 -8.885 -6.925 1.00 0.00 N ATOM 0 H GLN A 37 6.885 -9.104 -4.374 1.00 0.00 H new ATOM 0 HA GLN A 37 5.560 -11.420 -5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.412 -9.574 -6.770 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.301 -10.726 -7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.519 -8.355 -5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.407 -8.422 -7.501 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.155 -7.974 -7.344 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.005 -9.222 -6.850 1.00 0.00 H new ATOM 627 N HIS A 38 8.813 -11.674 -5.081 1.00 0.00 N ATOM 628 CA HIS A 38 9.908 -12.629 -5.131 1.00 0.00 C ATOM 629 C HIS A 38 9.719 -13.714 -4.082 1.00 0.00 C ATOM 630 O HIS A 38 10.071 -14.889 -4.302 1.00 0.00 O ATOM 631 CB HIS A 38 11.259 -11.937 -4.957 1.00 0.00 C ATOM 632 CG HIS A 38 11.751 -11.285 -6.209 1.00 0.00 C ATOM 633 ND1 HIS A 38 11.574 -10.033 -6.688 1.00 0.00 N flip ATOM 634 CD2 HIS A 38 12.511 -11.945 -7.147 1.00 0.00 C flip ATOM 635 CE1 HIS A 38 12.221 -9.964 -7.894 1.00 0.00 C flip ATOM 636 NE2 HIS A 38 12.777 -11.132 -8.146 1.00 0.00 N flip ATOM 0 H HIS A 38 9.063 -10.758 -4.707 1.00 0.00 H new ATOM 0 HA HIS A 38 9.900 -13.095 -6.116 1.00 0.00 H new ATOM 0 HB2 HIS A 38 11.177 -11.186 -4.172 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.995 -12.669 -4.623 1.00 0.00 H new ATOM 0 HD1 HIS A 38 11.055 -9.280 -6.236 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.838 -12.972 -7.074 1.00 0.00 H new ATOM 0 HE1 HIS A 38 12.268 -9.095 -8.533 1.00 0.00 H new ATOM 645 N GLN A 39 9.128 -13.334 -2.948 1.00 0.00 N ATOM 646 CA GLN A 39 8.862 -14.277 -1.883 1.00 0.00 C ATOM 647 C GLN A 39 7.746 -15.211 -2.301 1.00 0.00 C ATOM 648 O GLN A 39 7.795 -16.405 -2.041 1.00 0.00 O ATOM 649 CB GLN A 39 8.494 -13.552 -0.585 1.00 0.00 C ATOM 650 CG GLN A 39 9.627 -12.722 0.006 1.00 0.00 C ATOM 651 CD GLN A 39 10.853 -13.556 0.336 1.00 0.00 C ATOM 652 OE1 GLN A 39 11.757 -13.712 -0.486 1.00 0.00 O ATOM 653 NE2 GLN A 39 10.891 -14.100 1.537 1.00 0.00 N ATOM 0 H GLN A 39 8.828 -12.379 -2.752 1.00 0.00 H new ATOM 0 HA GLN A 39 9.766 -14.856 -1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.641 -12.900 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.175 -14.289 0.152 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.904 -11.939 -0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.275 -12.226 0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.123 -13.948 2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.689 -14.673 1.812 1.00 0.00 H new ATOM 662 N LEU A 40 6.715 -14.638 -2.932 1.00 0.00 N ATOM 663 CA LEU A 40 5.614 -15.407 -3.500 1.00 0.00 C ATOM 664 C LEU A 40 6.143 -16.500 -4.420 1.00 0.00 C ATOM 665 O LEU A 40 5.689 -17.644 -4.371 1.00 0.00 O ATOM 666 CB LEU A 40 4.683 -14.474 -4.277 1.00 0.00 C ATOM 667 CG LEU A 40 3.510 -15.138 -4.998 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.568 -15.797 -4.005 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.772 -14.118 -5.845 1.00 0.00 C ATOM 0 H LEU A 40 6.625 -13.630 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 40 5.059 -15.878 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.284 -13.733 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.277 -13.934 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 40 3.902 -15.916 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.741 -16.263 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.108 -16.557 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.178 -15.045 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.939 -14.602 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.393 -13.320 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.454 -13.698 -6.584 1.00 0.00 H new ATOM 681 N ASP A 41 7.099 -16.136 -5.267 1.00 0.00 N ATOM 682 CA ASP A 41 7.744 -17.087 -6.169 1.00 0.00 C ATOM 683 C ASP A 41 8.363 -18.234 -5.367 1.00 0.00 C ATOM 684 O ASP A 41 8.284 -19.397 -5.759 1.00 0.00 O ATOM 685 CB ASP A 41 8.815 -16.367 -6.992 1.00 0.00 C ATOM 686 CG ASP A 41 9.494 -17.262 -8.004 1.00 0.00 C ATOM 687 OD1 ASP A 41 8.935 -17.448 -9.103 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.604 -17.755 -7.716 1.00 0.00 O ATOM 0 H ASP A 41 7.448 -15.181 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 41 7.000 -17.505 -6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.359 -15.524 -7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.567 -15.957 -6.318 1.00 0.00 H new ATOM 693 N GLU A 42 8.952 -17.888 -4.226 1.00 0.00 N ATOM 694 CA GLU A 42 9.524 -18.884 -3.327 1.00 0.00 C ATOM 695 C GLU A 42 8.403 -19.748 -2.729 1.00 0.00 C ATOM 696 O GLU A 42 8.527 -20.965 -2.620 1.00 0.00 O ATOM 697 CB GLU A 42 10.333 -18.210 -2.217 1.00 0.00 C ATOM 698 CG GLU A 42 10.949 -19.186 -1.233 1.00 0.00 C ATOM 699 CD GLU A 42 11.791 -18.501 -0.185 1.00 0.00 C ATOM 700 OE1 GLU A 42 12.995 -18.272 -0.441 1.00 0.00 O ATOM 701 OE2 GLU A 42 11.262 -18.183 0.896 1.00 0.00 O ATOM 0 H GLU A 42 9.045 -16.925 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 42 10.200 -19.523 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.126 -17.614 -2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.685 -17.521 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.156 -19.752 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.564 -19.904 -1.776 1.00 0.00 H new ATOM 708 N LEU A 43 7.309 -19.089 -2.350 1.00 0.00 N ATOM 709 CA LEU A 43 6.134 -19.769 -1.800 1.00 0.00 C ATOM 710 C LEU A 43 5.613 -20.827 -2.768 1.00 0.00 C ATOM 711 O LEU A 43 5.224 -21.910 -2.354 1.00 0.00 O ATOM 712 CB LEU A 43 5.012 -18.778 -1.470 1.00 0.00 C ATOM 713 CG LEU A 43 3.745 -19.398 -0.863 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.028 -19.969 0.512 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.615 -18.382 -0.809 1.00 0.00 C ATOM 0 H LEU A 43 7.211 -18.076 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 43 6.449 -20.254 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.400 -18.033 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.736 -18.250 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 43 3.428 -20.217 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.115 -20.402 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.793 -20.741 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.379 -19.175 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.729 -18.846 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.918 -17.533 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.387 -18.037 -1.818 1.00 0.00 H new ATOM 727 N ASN A 44 5.617 -20.504 -4.057 1.00 0.00 N ATOM 728 CA ASN A 44 5.185 -21.439 -5.104 1.00 0.00 C ATOM 729 C ASN A 44 6.021 -22.710 -5.072 1.00 0.00 C ATOM 730 O ASN A 44 5.520 -23.803 -5.309 1.00 0.00 O ATOM 731 CB ASN A 44 5.314 -20.776 -6.484 1.00 0.00 C ATOM 732 CG ASN A 44 4.132 -19.898 -6.854 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.185 -20.354 -7.498 1.00 0.00 O ATOM 734 ND2 ASN A 44 4.173 -18.642 -6.453 1.00 0.00 N ATOM 0 H ASN A 44 5.916 -19.595 -4.409 1.00 0.00 H new ATOM 0 HA ASN A 44 4.143 -21.701 -4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.222 -20.174 -6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.429 -21.552 -7.241 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.403 -18.011 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.975 -18.302 -5.922 1.00 0.00 H new ATOM 741 N GLU A 45 7.292 -22.548 -4.780 1.00 0.00 N ATOM 742 CA GLU A 45 8.232 -23.651 -4.748 1.00 0.00 C ATOM 743 C GLU A 45 8.168 -24.418 -3.413 1.00 0.00 C ATOM 744 O GLU A 45 8.120 -25.647 -3.398 1.00 0.00 O ATOM 745 CB GLU A 45 9.643 -23.097 -4.964 1.00 0.00 C ATOM 746 CG GLU A 45 10.713 -24.150 -5.137 1.00 0.00 C ATOM 747 CD GLU A 45 10.549 -24.934 -6.410 1.00 0.00 C ATOM 748 OE1 GLU A 45 10.836 -24.387 -7.486 1.00 0.00 O ATOM 749 OE2 GLU A 45 10.148 -26.109 -6.340 1.00 0.00 O ATOM 0 H GLU A 45 7.707 -21.643 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 45 7.972 -24.354 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.636 -22.456 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.906 -22.467 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.693 -23.672 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.687 -24.833 -4.288 1.00 0.00 H new ATOM 756 N ASN A 46 8.158 -23.687 -2.310 1.00 0.00 N ATOM 757 CA ASN A 46 8.175 -24.295 -0.971 1.00 0.00 C ATOM 758 C ASN A 46 6.810 -24.862 -0.574 1.00 0.00 C ATOM 759 O ASN A 46 6.728 -25.891 0.100 1.00 0.00 O ATOM 760 CB ASN A 46 8.644 -23.282 0.080 1.00 0.00 C ATOM 761 CG ASN A 46 10.137 -22.995 0.009 1.00 0.00 C ATOM 762 OD1 ASN A 46 10.762 -23.097 -1.051 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.719 -22.627 1.134 1.00 0.00 N ATOM 0 H ASN A 46 8.138 -22.667 -2.306 1.00 0.00 H new ATOM 0 HA ASN A 46 8.880 -25.125 -1.012 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.094 -22.350 -0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.399 -23.658 1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.717 -22.416 1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.171 -22.553 1.991 1.00 0.00 H new ATOM 770 N LYS A 47 5.747 -24.168 -0.998 1.00 0.00 N ATOM 771 CA LYS A 47 4.353 -24.539 -0.652 1.00 0.00 C ATOM 772 C LYS A 47 4.160 -24.549 0.880 1.00 0.00 C ATOM 773 O LYS A 47 3.255 -25.202 1.405 1.00 0.00 O ATOM 774 CB LYS A 47 4.018 -25.929 -1.214 1.00 0.00 C ATOM 775 CG LYS A 47 4.070 -26.024 -2.734 1.00 0.00 C ATOM 776 CD LYS A 47 2.969 -25.205 -3.404 1.00 0.00 C ATOM 777 CE LYS A 47 2.945 -25.451 -4.904 1.00 0.00 C ATOM 778 NZ LYS A 47 2.805 -26.894 -5.225 1.00 0.00 N ATOM 0 H LYS A 47 5.818 -23.338 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 47 3.685 -23.799 -1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.714 -26.655 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.020 -26.212 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.042 -25.677 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.977 -27.068 -3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.003 -25.467 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.129 -24.145 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.118 -24.898 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.863 -25.067 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.458 -27.001 -6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.730 -27.361 -5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.129 -27.332 -4.567 1.00 0.00 H new ATOM 792 N SER A 48 5.016 -23.819 1.577 1.00 0.00 N ATOM 793 CA SER A 48 4.976 -23.766 3.029 1.00 0.00 C ATOM 794 C SER A 48 3.734 -23.031 3.533 1.00 0.00 C ATOM 795 O SER A 48 3.512 -21.866 3.207 1.00 0.00 O ATOM 796 CB SER A 48 6.256 -23.144 3.592 1.00 0.00 C ATOM 797 OG SER A 48 6.167 -22.965 4.996 1.00 0.00 O ATOM 0 H SER A 48 5.752 -23.251 1.157 1.00 0.00 H new ATOM 0 HA SER A 48 4.914 -24.792 3.392 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.107 -23.783 3.358 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.438 -22.183 3.111 1.00 0.00 H new ATOM 0 HG SER A 48 6.999 -22.568 5.328 1.00 0.00 H new ATOM 803 N LYS A 49 2.934 -23.727 4.329 1.00 0.00 N ATOM 804 CA LYS A 49 1.713 -23.172 4.908 1.00 0.00 C ATOM 805 C LYS A 49 2.003 -21.966 5.805 1.00 0.00 C ATOM 806 O LYS A 49 1.331 -20.945 5.718 1.00 0.00 O ATOM 807 CB LYS A 49 0.923 -24.256 5.686 1.00 0.00 C ATOM 808 CG LYS A 49 1.689 -24.961 6.817 1.00 0.00 C ATOM 809 CD LYS A 49 2.748 -25.926 6.287 1.00 0.00 C ATOM 810 CE LYS A 49 3.301 -26.826 7.382 1.00 0.00 C ATOM 811 NZ LYS A 49 3.898 -26.059 8.517 1.00 0.00 N ATOM 0 H LYS A 49 3.112 -24.696 4.594 1.00 0.00 H new ATOM 0 HA LYS A 49 1.095 -22.823 4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.031 -23.794 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.585 -25.011 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.167 -24.213 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.985 -25.507 7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.315 -26.540 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.563 -25.358 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.501 -27.463 7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.058 -27.484 6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.319 -26.721 9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.635 -25.420 8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.157 -25.501 8.987 1.00 0.00 H new ATOM 825 N GLU A 50 3.010 -22.090 6.651 1.00 0.00 N ATOM 826 CA GLU A 50 3.381 -20.996 7.542 1.00 0.00 C ATOM 827 C GLU A 50 3.953 -19.830 6.751 1.00 0.00 C ATOM 828 O GLU A 50 3.788 -18.673 7.130 1.00 0.00 O ATOM 829 CB GLU A 50 4.359 -21.454 8.619 1.00 0.00 C ATOM 830 CG GLU A 50 5.563 -22.197 8.081 1.00 0.00 C ATOM 831 CD GLU A 50 6.475 -22.682 9.174 1.00 0.00 C ATOM 832 OE1 GLU A 50 6.184 -23.739 9.762 1.00 0.00 O ATOM 833 OE2 GLU A 50 7.488 -22.004 9.451 1.00 0.00 O ATOM 0 H GLU A 50 3.584 -22.928 6.743 1.00 0.00 H new ATOM 0 HA GLU A 50 2.475 -20.660 8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.702 -20.583 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.832 -22.098 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.226 -23.048 7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.120 -21.543 7.411 1.00 0.00 H new ATOM 840 N LEU A 51 4.600 -20.140 5.642 1.00 0.00 N ATOM 841 CA LEU A 51 5.132 -19.105 4.778 1.00 0.00 C ATOM 842 C LEU A 51 3.973 -18.364 4.136 1.00 0.00 C ATOM 843 O LEU A 51 3.945 -17.138 4.109 1.00 0.00 O ATOM 844 CB LEU A 51 6.049 -19.693 3.704 1.00 0.00 C ATOM 845 CG LEU A 51 6.710 -18.676 2.764 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.610 -17.732 3.543 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.494 -19.386 1.670 1.00 0.00 C ATOM 0 H LEU A 51 4.768 -21.093 5.321 1.00 0.00 H new ATOM 0 HA LEU A 51 5.731 -18.417 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.833 -20.268 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.470 -20.394 3.102 1.00 0.00 H new ATOM 0 HG LEU A 51 5.924 -18.086 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.069 -17.019 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.019 -17.194 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.389 -18.305 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.955 -18.647 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.270 -20.005 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.820 -20.016 1.089 1.00 0.00 H new ATOM 859 N GLN A 52 2.998 -19.135 3.657 1.00 0.00 N ATOM 860 CA GLN A 52 1.796 -18.586 3.043 1.00 0.00 C ATOM 861 C GLN A 52 1.084 -17.656 4.016 1.00 0.00 C ATOM 862 O GLN A 52 0.668 -16.551 3.653 1.00 0.00 O ATOM 863 CB GLN A 52 0.848 -19.718 2.641 1.00 0.00 C ATOM 864 CG GLN A 52 -0.395 -19.255 1.898 1.00 0.00 C ATOM 865 CD GLN A 52 -1.421 -20.356 1.735 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.549 -21.236 2.582 1.00 0.00 O ATOM 867 NE2 GLN A 52 -2.138 -20.330 0.637 1.00 0.00 N ATOM 0 H GLN A 52 3.021 -20.154 3.685 1.00 0.00 H new ATOM 0 HA GLN A 52 2.088 -18.024 2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.390 -20.426 2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.542 -20.257 3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.845 -18.421 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.108 -18.883 0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.002 -19.582 -0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.831 -21.058 0.463 1.00 0.00 H new ATOM 876 N GLU A 53 0.971 -18.105 5.259 1.00 0.00 N ATOM 877 CA GLU A 53 0.307 -17.355 6.278 1.00 0.00 C ATOM 878 C GLU A 53 1.028 -16.041 6.550 1.00 0.00 C ATOM 879 O GLU A 53 0.408 -14.997 6.585 1.00 0.00 O ATOM 880 CB GLU A 53 0.189 -18.183 7.550 1.00 0.00 C ATOM 881 CG GLU A 53 -0.706 -17.544 8.582 1.00 0.00 C ATOM 882 CD GLU A 53 -0.850 -18.368 9.837 1.00 0.00 C ATOM 883 OE1 GLU A 53 -1.708 -19.274 9.865 1.00 0.00 O ATOM 884 OE2 GLU A 53 -0.120 -18.105 10.807 1.00 0.00 O ATOM 0 H GLU A 53 1.342 -19.001 5.574 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.697 -17.115 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.199 -19.171 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.181 -18.329 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.307 -16.564 8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.692 -17.381 8.147 1.00 0.00 H new ATOM 891 N LYS A 54 2.343 -16.096 6.713 1.00 0.00 N ATOM 892 CA LYS A 54 3.120 -14.881 6.986 1.00 0.00 C ATOM 893 C LYS A 54 3.024 -13.912 5.818 1.00 0.00 C ATOM 894 O LYS A 54 2.863 -12.708 6.012 1.00 0.00 O ATOM 895 CB LYS A 54 4.585 -15.210 7.232 1.00 0.00 C ATOM 896 CG LYS A 54 4.848 -16.104 8.430 1.00 0.00 C ATOM 897 CD LYS A 54 6.336 -16.189 8.724 1.00 0.00 C ATOM 898 CE LYS A 54 7.108 -16.761 7.546 1.00 0.00 C ATOM 899 NZ LYS A 54 8.569 -16.578 7.706 1.00 0.00 N ATOM 0 H LYS A 54 2.894 -16.953 6.663 1.00 0.00 H new ATOM 0 HA LYS A 54 2.701 -14.421 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.988 -15.693 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.134 -14.278 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.322 -15.715 9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.453 -17.102 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.718 -15.196 8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.499 -16.812 9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.883 -17.823 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.779 -16.277 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.061 -16.981 6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.786 -15.563 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.887 -17.061 8.570 1.00 0.00 H new ATOM 913 N ILE A 55 3.118 -14.452 4.616 1.00 0.00 N ATOM 914 CA ILE A 55 3.046 -13.645 3.411 1.00 0.00 C ATOM 915 C ILE A 55 1.728 -12.867 3.350 1.00 0.00 C ATOM 916 O ILE A 55 1.725 -11.669 3.071 1.00 0.00 O ATOM 917 CB ILE A 55 3.247 -14.493 2.127 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.694 -15.002 2.059 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.913 -13.680 0.883 1.00 0.00 C ATOM 920 CD1 ILE A 55 4.987 -15.874 0.858 1.00 0.00 C ATOM 0 H ILE A 55 3.245 -15.450 4.448 1.00 0.00 H new ATOM 0 HA ILE A 55 3.867 -12.929 3.456 1.00 0.00 H new ATOM 0 HB ILE A 55 2.570 -15.347 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.369 -14.146 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.912 -15.566 2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.061 -14.295 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.874 -13.354 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.565 -12.808 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.029 -16.192 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.340 -16.751 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.803 -15.309 -0.056 1.00 0.00 H new ATOM 932 N ILE A 56 0.618 -13.537 3.642 1.00 0.00 N ATOM 933 CA ILE A 56 -0.676 -12.868 3.646 1.00 0.00 C ATOM 934 C ILE A 56 -0.805 -11.923 4.851 1.00 0.00 C ATOM 935 O ILE A 56 -1.466 -10.894 4.772 1.00 0.00 O ATOM 936 CB ILE A 56 -1.882 -13.862 3.572 1.00 0.00 C ATOM 937 CG1 ILE A 56 -3.192 -13.099 3.321 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.993 -14.702 4.837 1.00 0.00 C ATOM 939 CD1 ILE A 56 -4.402 -13.994 3.139 1.00 0.00 C ATOM 0 H ILE A 56 0.588 -14.529 3.876 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.718 -12.272 2.734 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.701 -14.539 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.374 -12.425 4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.075 -12.479 2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.841 -15.381 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.079 -15.280 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.139 -14.048 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.286 -13.380 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.244 -14.650 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.548 -14.596 4.036 1.00 0.00 H new ATOM 951 N ARG A 57 -0.137 -12.270 5.957 1.00 0.00 N ATOM 952 CA ARG A 57 -0.183 -11.458 7.177 1.00 0.00 C ATOM 953 C ARG A 57 0.502 -10.120 6.963 1.00 0.00 C ATOM 954 O ARG A 57 -0.083 -9.065 7.220 1.00 0.00 O ATOM 955 CB ARG A 57 0.501 -12.178 8.346 1.00 0.00 C ATOM 956 CG ARG A 57 -0.233 -13.392 8.871 1.00 0.00 C ATOM 957 CD ARG A 57 -1.655 -13.061 9.237 1.00 0.00 C ATOM 958 NE ARG A 57 -2.288 -14.154 9.974 1.00 0.00 N ATOM 959 CZ ARG A 57 -2.933 -14.005 11.136 1.00 0.00 C ATOM 960 NH1 ARG A 57 -3.079 -12.793 11.675 1.00 0.00 N ATOM 961 NH2 ARG A 57 -3.436 -15.068 11.754 1.00 0.00 N ATOM 0 H ARG A 57 0.441 -13.107 6.032 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.234 -11.297 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.498 -12.484 8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.630 -11.469 9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.224 -14.178 8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.287 -13.783 9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.674 -12.154 9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.226 -12.853 8.332 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.234 -15.091 9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.698 -11.975 11.200 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.572 -12.685 12.561 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.330 -15.995 11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.928 -14.957 12.640 1.00 0.00 H new ATOM 975 N GLU A 58 1.736 -10.160 6.482 1.00 0.00 N ATOM 976 CA GLU A 58 2.495 -8.946 6.269 1.00 0.00 C ATOM 977 C GLU A 58 1.905 -8.144 5.115 1.00 0.00 C ATOM 978 O GLU A 58 1.919 -6.912 5.133 1.00 0.00 O ATOM 979 CB GLU A 58 3.978 -9.262 6.038 1.00 0.00 C ATOM 980 CG GLU A 58 4.627 -9.975 7.225 1.00 0.00 C ATOM 981 CD GLU A 58 6.078 -10.348 6.992 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.943 -9.449 7.039 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.366 -11.552 6.800 1.00 0.00 O ATOM 0 H GLU A 58 2.228 -11.019 6.234 1.00 0.00 H new ATOM 0 HA GLU A 58 2.429 -8.333 7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.077 -9.884 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.515 -8.335 5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.563 -9.332 8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.060 -10.879 7.449 1.00 0.00 H new ATOM 990 N LEU A 59 1.369 -8.842 4.126 1.00 0.00 N ATOM 991 CA LEU A 59 0.721 -8.186 3.002 1.00 0.00 C ATOM 992 C LEU A 59 -0.501 -7.408 3.496 1.00 0.00 C ATOM 993 O LEU A 59 -0.718 -6.261 3.113 1.00 0.00 O ATOM 994 CB LEU A 59 0.306 -9.210 1.937 1.00 0.00 C ATOM 995 CG LEU A 59 -0.304 -8.638 0.651 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.694 -7.743 -0.071 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.770 -9.762 -0.259 1.00 0.00 C ATOM 0 H LEU A 59 1.370 -9.861 4.079 1.00 0.00 H new ATOM 0 HA LEU A 59 1.428 -7.493 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.183 -9.799 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.415 -9.896 2.383 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.168 -8.031 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.239 -7.349 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.979 -6.916 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.580 -8.322 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.200 -9.340 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.078 -10.395 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.523 -10.359 0.256 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.268 -8.044 4.379 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.489 -7.461 4.931 1.00 0.00 C ATOM 1011 C ASP A 60 -2.210 -6.204 5.750 1.00 0.00 C ATOM 1012 O ASP A 60 -2.849 -5.175 5.541 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.232 -8.484 5.789 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.461 -7.903 6.459 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.487 -7.727 5.776 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.407 -7.629 7.676 1.00 0.00 O ATOM 0 H ASP A 60 -1.061 -8.978 4.732 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.114 -7.174 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.528 -9.328 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.556 -8.872 6.552 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.243 -6.275 6.663 1.00 0.00 N ATOM 1022 CA VAL A 61 -0.947 -5.131 7.525 1.00 0.00 C ATOM 1023 C VAL A 61 -0.448 -3.928 6.718 1.00 0.00 C ATOM 1024 O VAL A 61 -0.804 -2.784 7.006 1.00 0.00 O ATOM 1025 CB VAL A 61 0.054 -5.476 8.661 1.00 0.00 C ATOM 1026 CG1 VAL A 61 -0.536 -6.523 9.593 1.00 0.00 C ATOM 1027 CG2 VAL A 61 1.389 -5.946 8.106 1.00 0.00 C ATOM 0 H VAL A 61 -0.660 -7.096 6.824 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.891 -4.862 7.998 1.00 0.00 H new ATOM 0 HB VAL A 61 0.236 -4.564 9.230 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.180 -6.752 10.383 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.455 -6.139 10.036 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.756 -7.429 9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.064 -6.178 8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.237 -6.838 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.825 -5.159 7.491 1.00 0.00 H new ATOM 1037 N VAL A 62 0.357 -4.194 5.691 1.00 0.00 N ATOM 1038 CA VAL A 62 0.855 -3.130 4.826 1.00 0.00 C ATOM 1039 C VAL A 62 -0.281 -2.600 3.958 1.00 0.00 C ATOM 1040 O VAL A 62 -0.385 -1.397 3.726 1.00 0.00 O ATOM 1041 CB VAL A 62 2.024 -3.613 3.926 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.478 -2.504 2.985 1.00 0.00 C ATOM 1043 CG2 VAL A 62 3.193 -4.087 4.779 1.00 0.00 C ATOM 0 H VAL A 62 0.675 -5.130 5.440 1.00 0.00 H new ATOM 0 HA VAL A 62 1.238 -2.334 5.465 1.00 0.00 H new ATOM 0 HB VAL A 62 1.665 -4.449 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.298 -2.866 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.646 -2.204 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.816 -1.647 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.003 -4.422 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.544 -3.266 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.870 -4.913 5.413 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.153 -3.494 3.521 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.296 -3.103 2.713 1.00 0.00 C ATOM 1055 C CYS A 63 -3.202 -2.184 3.520 1.00 0.00 C ATOM 1056 O CYS A 63 -3.649 -1.153 3.036 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.082 -4.336 2.241 1.00 0.00 C ATOM 1058 SG CYS A 63 -4.502 -3.969 1.177 1.00 0.00 S ATOM 0 H CYS A 63 -1.091 -4.494 3.712 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.934 -2.574 1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.404 -4.998 1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.433 -4.883 3.116 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.428 -3.384 1.876 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.410 -2.543 4.780 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.295 -1.811 5.667 1.00 0.00 C ATOM 1066 C ALA A 64 -3.758 -0.422 5.975 1.00 0.00 C ATOM 1067 O ALA A 64 -4.483 0.569 5.849 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.483 -2.593 6.953 1.00 0.00 C ATOM 0 H ALA A 64 -2.967 -3.353 5.214 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.255 -1.689 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.148 -2.043 7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.919 -3.566 6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.517 -2.733 7.438 1.00 0.00 H new ATOM 1074 N MET A 65 -2.491 -0.339 6.372 1.00 0.00 N ATOM 1075 CA MET A 65 -1.894 0.955 6.702 1.00 0.00 C ATOM 1076 C MET A 65 -1.911 1.879 5.484 1.00 0.00 C ATOM 1077 O MET A 65 -2.160 3.085 5.606 1.00 0.00 O ATOM 1078 CB MET A 65 -0.466 0.791 7.245 1.00 0.00 C ATOM 1079 CG MET A 65 0.556 0.373 6.202 1.00 0.00 C ATOM 1080 SD MET A 65 2.221 0.202 6.870 1.00 0.00 S ATOM 1081 CE MET A 65 1.976 -1.161 7.998 1.00 0.00 C ATOM 0 H MET A 65 -1.865 -1.138 6.473 1.00 0.00 H new ATOM 0 HA MET A 65 -2.495 1.411 7.489 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.149 1.734 7.690 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.477 0.049 8.044 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.249 -0.575 5.761 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.568 1.109 5.398 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.168 -0.828 9.018 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.949 -1.518 7.920 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.661 -1.970 7.745 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.670 1.297 4.309 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.687 2.041 3.059 1.00 0.00 C ATOM 1093 C ILE A 66 -3.099 2.539 2.736 1.00 0.00 C ATOM 1094 O ILE A 66 -3.277 3.693 2.337 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.101 1.191 1.878 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.389 1.509 1.663 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -1.878 1.395 0.580 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.271 1.264 2.875 1.00 0.00 C ATOM 0 H ILE A 66 -1.460 0.305 4.202 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.045 2.913 3.184 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.203 0.143 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.759 0.907 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.485 2.553 1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.435 0.786 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.917 1.099 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.838 2.446 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.303 1.515 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.932 1.887 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.211 0.214 3.162 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.101 1.686 2.961 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.489 2.044 2.692 1.00 0.00 C ATOM 1112 C GLU A 67 -5.935 3.186 3.597 1.00 0.00 C ATOM 1113 O GLU A 67 -6.681 4.074 3.182 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.412 0.845 2.889 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.267 -0.240 1.838 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.213 -1.392 2.077 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -8.418 -1.237 1.800 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -6.766 -2.447 2.576 1.00 0.00 O ATOM 0 H GLU A 67 -3.974 0.743 3.329 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.551 2.367 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.219 0.411 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.445 1.194 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.455 0.184 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.241 -0.608 1.837 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.456 3.159 4.832 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.819 4.175 5.790 1.00 0.00 C ATOM 1127 C GLY A 68 -5.277 5.537 5.421 1.00 0.00 C ATOM 1128 O GLY A 68 -6.002 6.534 5.441 1.00 0.00 O ATOM 0 H GLY A 68 -4.819 2.446 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.905 4.228 5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.445 3.893 6.774 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.002 5.574 5.057 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.344 6.819 4.698 1.00 0.00 C ATOM 1134 C ALA A 69 -3.896 7.369 3.392 1.00 0.00 C ATOM 1135 O ALA A 69 -4.143 8.568 3.279 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.838 6.618 4.602 1.00 0.00 C ATOM 0 H ALA A 69 -3.402 4.751 5.003 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.546 7.548 5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.362 7.561 4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.454 6.280 5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.619 5.870 3.840 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.109 6.492 2.415 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.616 6.931 1.118 1.00 0.00 C ATOM 1144 C GLN A 70 -6.022 7.514 1.260 1.00 0.00 C ATOM 1145 O GLN A 70 -6.340 8.522 0.657 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.575 5.820 0.062 1.00 0.00 C ATOM 1147 CG GLN A 70 -5.549 4.696 0.287 1.00 0.00 C ATOM 1148 CD GLN A 70 -5.550 3.717 -0.855 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -4.843 2.720 -0.835 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -6.317 4.022 -1.876 1.00 0.00 N ATOM 0 H GLN A 70 -3.942 5.489 2.493 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.950 7.717 0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.771 6.261 -0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.567 5.407 0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.296 4.176 1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.551 5.105 0.416 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.891 4.865 -1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.339 3.416 -2.696 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.839 6.881 2.102 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.204 7.340 2.314 1.00 0.00 C ATOM 1161 C GLY A 71 -8.254 8.691 3.005 1.00 0.00 C ATOM 1162 O GLY A 71 -9.024 9.586 2.617 1.00 0.00 O ATOM 0 H GLY A 71 -6.579 6.056 2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.717 7.405 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.743 6.607 2.914 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.411 8.835 4.017 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.336 10.061 4.792 1.00 0.00 C ATOM 1168 C ALA A 72 -6.819 11.192 3.918 1.00 0.00 C ATOM 1169 O ALA A 72 -7.425 12.275 3.835 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.436 9.869 6.005 1.00 0.00 C ATOM 0 H ALA A 72 -6.763 8.108 4.322 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.334 10.318 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.391 10.797 6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.839 9.076 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.434 9.597 5.675 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.689 10.933 3.266 1.00 0.00 N ATOM 1177 CA LEU A 73 -5.061 11.894 2.382 1.00 0.00 C ATOM 1178 C LEU A 73 -6.002 12.299 1.251 1.00 0.00 C ATOM 1179 O LEU A 73 -6.102 13.472 0.935 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.755 11.323 1.818 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.883 12.299 1.029 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -2.400 13.435 1.920 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.704 11.572 0.400 1.00 0.00 C ATOM 0 H LEU A 73 -5.187 10.048 3.340 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.831 12.788 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.166 10.929 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.999 10.480 1.171 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.488 12.729 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.781 14.117 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.259 13.975 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.814 13.027 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.094 12.283 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.101 11.112 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.071 10.800 -0.276 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.703 11.320 0.666 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.652 11.578 -0.428 1.00 0.00 C ATOM 1197 C GLU A 74 -8.675 12.633 -0.040 1.00 0.00 C ATOM 1198 O GLU A 74 -8.865 13.617 -0.751 1.00 0.00 O ATOM 1199 CB GLU A 74 -8.363 10.283 -0.833 1.00 0.00 C ATOM 1200 CG GLU A 74 -7.697 9.540 -1.979 1.00 0.00 C ATOM 1201 CD GLU A 74 -7.909 10.226 -3.310 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -8.935 9.945 -3.972 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -7.074 11.050 -3.705 1.00 0.00 O ATOM 0 H GLU A 74 -6.631 10.338 0.932 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.083 11.956 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.413 9.623 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.389 10.518 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.628 9.457 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.092 8.525 -2.029 1.00 0.00 H new ATOM 1210 N ARG A 75 -9.325 12.429 1.097 1.00 0.00 N ATOM 1211 CA ARG A 75 -10.331 13.371 1.584 1.00 0.00 C ATOM 1212 C ARG A 75 -9.726 14.764 1.776 1.00 0.00 C ATOM 1213 O ARG A 75 -10.372 15.784 1.498 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.919 12.879 2.903 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.993 13.787 3.478 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.406 13.334 4.862 1.00 0.00 C ATOM 1217 NE ARG A 75 -11.297 13.412 5.816 1.00 0.00 N ATOM 1218 CZ ARG A 75 -11.195 12.662 6.917 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -12.139 11.770 7.207 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -10.151 12.807 7.730 1.00 0.00 N ATOM 0 H ARG A 75 -9.176 11.621 1.701 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.123 13.436 0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.340 11.885 2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.115 12.778 3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.622 14.811 3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.861 13.791 2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.232 13.951 5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.772 12.308 4.814 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.553 14.084 5.627 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.942 11.658 6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.059 11.198 8.048 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.427 13.492 7.513 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.075 12.233 8.570 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.501 14.809 2.252 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.837 16.077 2.492 1.00 0.00 C ATOM 1236 C GLU A 76 -7.417 16.739 1.185 1.00 0.00 C ATOM 1237 O GLU A 76 -7.804 17.884 0.914 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.621 15.872 3.391 1.00 0.00 C ATOM 1239 CG GLU A 76 -5.979 17.163 3.866 1.00 0.00 C ATOM 1240 CD GLU A 76 -4.807 16.916 4.784 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -5.024 16.419 5.907 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -3.665 17.206 4.390 1.00 0.00 O ATOM 0 H GLU A 76 -7.943 13.986 2.481 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.545 16.738 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.919 15.286 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.877 15.286 2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.646 17.740 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.723 17.767 4.385 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.636 16.033 0.370 1.00 0.00 N ATOM 1250 CA LEU A 77 -6.150 16.585 -0.883 1.00 0.00 C ATOM 1251 C LEU A 77 -7.254 16.944 -1.848 1.00 0.00 C ATOM 1252 O LEU A 77 -7.090 17.849 -2.641 1.00 0.00 O ATOM 1253 CB LEU A 77 -5.078 15.668 -1.551 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.444 14.201 -1.860 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -6.477 14.103 -2.967 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -4.191 13.428 -2.249 1.00 0.00 C ATOM 0 H LEU A 77 -6.329 15.079 0.559 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.662 17.524 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.779 16.138 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.201 15.660 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.879 13.767 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.709 13.055 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.384 14.627 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.081 14.557 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.455 12.393 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.744 13.882 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.477 13.455 -1.426 1.00 0.00 H new ATOM 1268 N LYS A 78 -8.387 16.261 -1.771 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.463 16.516 -2.703 1.00 0.00 C ATOM 1270 C LYS A 78 -10.007 17.923 -2.523 1.00 0.00 C ATOM 1271 O LYS A 78 -10.259 18.640 -3.488 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.581 15.496 -2.557 1.00 0.00 C ATOM 1273 CG LYS A 78 -10.790 14.661 -3.816 1.00 0.00 C ATOM 1274 CD LYS A 78 -9.642 13.692 -4.057 1.00 0.00 C ATOM 1275 CE LYS A 78 -9.730 13.054 -5.436 1.00 0.00 C ATOM 1276 NZ LYS A 78 -8.663 12.041 -5.651 1.00 0.00 N ATOM 0 H LYS A 78 -8.579 15.536 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.054 16.424 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.355 14.834 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.509 16.013 -2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.723 14.103 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.892 15.322 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.693 14.219 -3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.655 12.914 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.706 12.583 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.654 13.828 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.502 11.917 -6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.783 12.362 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.956 11.134 -5.234 1.00 0.00 H new ATOM 1290 N ARG A 79 -10.187 18.303 -1.268 1.00 0.00 N ATOM 1291 CA ARG A 79 -10.706 19.614 -0.927 1.00 0.00 C ATOM 1292 C ARG A 79 -9.611 20.664 -1.039 1.00 0.00 C ATOM 1293 O ARG A 79 -9.861 21.804 -1.432 1.00 0.00 O ATOM 1294 CB ARG A 79 -11.289 19.598 0.485 1.00 0.00 C ATOM 1295 CG ARG A 79 -12.479 18.662 0.641 1.00 0.00 C ATOM 1296 CD ARG A 79 -12.917 18.550 2.091 1.00 0.00 C ATOM 1297 NE ARG A 79 -11.895 17.906 2.926 1.00 0.00 N ATOM 1298 CZ ARG A 79 -11.783 18.086 4.249 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -12.634 18.879 4.889 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -10.827 17.462 4.932 1.00 0.00 N ATOM 0 H ARG A 79 -9.978 17.713 -0.462 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.500 19.869 -1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.510 19.302 1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.594 20.609 0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.310 19.025 0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.217 17.674 0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.132 19.544 2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.844 17.979 2.147 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.229 17.283 2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.376 19.353 4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.546 19.014 5.896 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.176 16.844 4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.745 17.602 5.939 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.768 22.225 -12.752 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.608 21.356 -12.590 1.00 0.00 C ATOM 1394 C LEU A 85 -0.851 20.375 -11.458 1.00 0.00 C ATOM 1395 O LEU A 85 -0.686 19.163 -11.633 1.00 0.00 O ATOM 1396 CB LEU A 85 0.658 22.207 -12.329 1.00 0.00 C ATOM 1397 CG LEU A 85 2.024 21.496 -12.456 1.00 0.00 C ATOM 1398 CD1 LEU A 85 3.134 22.519 -12.596 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.300 20.602 -11.252 1.00 0.00 C ATOM 0 HA LEU A 85 -0.451 20.787 -13.506 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.649 23.048 -13.022 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.585 22.622 -11.324 1.00 0.00 H new ATOM 0 HG LEU A 85 1.991 20.869 -13.347 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.092 22.007 -12.685 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.962 23.123 -13.487 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.147 23.164 -11.717 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.269 20.117 -11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.308 21.206 -10.345 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.521 19.843 -11.176 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.257 20.896 -10.302 1.00 0.00 N ATOM 1412 CA GLU A 86 -1.552 20.055 -9.154 1.00 0.00 C ATOM 1413 C GLU A 86 -2.605 19.017 -9.496 1.00 0.00 C ATOM 1414 O GLU A 86 -2.489 17.866 -9.087 1.00 0.00 O ATOM 1415 CB GLU A 86 -1.993 20.873 -7.930 1.00 0.00 C ATOM 1416 CG GLU A 86 -0.847 21.511 -7.141 1.00 0.00 C ATOM 1417 CD GLU A 86 -0.180 22.670 -7.856 1.00 0.00 C ATOM 1418 OE1 GLU A 86 0.651 22.429 -8.746 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -0.465 23.834 -7.500 1.00 0.00 O ATOM 0 H GLU A 86 -1.388 21.895 -10.140 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.624 19.546 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.671 21.660 -8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.560 20.225 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.229 21.860 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.098 20.749 -6.927 1.00 0.00 H new ATOM 1426 N ARG A 87 -3.617 19.413 -10.278 1.00 0.00 N ATOM 1427 CA ARG A 87 -4.682 18.499 -10.668 1.00 0.00 C ATOM 1428 C ARG A 87 -4.102 17.291 -11.390 1.00 0.00 C ATOM 1429 O ARG A 87 -4.453 16.142 -11.110 1.00 0.00 O ATOM 1430 CB ARG A 87 -5.679 19.192 -11.596 1.00 0.00 C ATOM 1431 CG ARG A 87 -7.096 18.675 -11.465 1.00 0.00 C ATOM 1432 CD ARG A 87 -7.839 19.409 -10.364 1.00 0.00 C ATOM 1433 NE ARG A 87 -8.139 20.796 -10.748 1.00 0.00 N ATOM 1434 CZ ARG A 87 -8.715 21.699 -9.953 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -8.953 21.417 -8.679 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -9.016 22.903 -10.435 1.00 0.00 N ATOM 0 H ARG A 87 -3.715 20.358 -10.649 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.194 18.179 -9.761 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.672 20.262 -11.388 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.350 19.066 -12.627 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.622 18.801 -12.411 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.079 17.607 -11.249 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.767 18.884 -10.138 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.240 19.404 -9.453 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.888 21.090 -11.692 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.695 20.505 -8.302 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.394 22.112 -8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.806 23.130 -11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.457 23.598 -9.832 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.209 17.573 -12.334 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.554 16.541 -13.123 1.00 0.00 C ATOM 1452 C PHE A 88 -1.726 15.614 -12.232 1.00 0.00 C ATOM 1453 O PHE A 88 -1.755 14.394 -12.392 1.00 0.00 O ATOM 1454 CB PHE A 88 -1.679 17.187 -14.206 1.00 0.00 C ATOM 1455 CG PHE A 88 -0.803 16.223 -14.949 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -1.351 15.248 -15.768 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.571 16.295 -14.829 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -0.541 14.362 -16.451 1.00 0.00 C ATOM 1459 CE2 PHE A 88 1.388 15.412 -15.509 1.00 0.00 C ATOM 1460 CZ PHE A 88 0.831 14.445 -16.321 1.00 0.00 C ATOM 0 H PHE A 88 -2.921 18.522 -12.571 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.319 15.935 -13.608 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.324 17.698 -14.921 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.051 17.948 -13.743 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.424 15.180 -15.873 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.012 17.051 -14.196 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.980 13.606 -17.085 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.461 15.479 -15.405 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.467 13.754 -16.854 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.009 16.201 -11.284 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.198 15.421 -10.352 1.00 0.00 C ATOM 1472 C ASN A 89 -1.094 14.526 -9.507 1.00 0.00 C ATOM 1473 O ASN A 89 -0.785 13.354 -9.279 1.00 0.00 O ATOM 1474 CB ASN A 89 0.660 16.333 -9.460 1.00 0.00 C ATOM 1475 CG ASN A 89 1.839 16.948 -10.205 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.786 17.162 -11.416 1.00 0.00 O ATOM 1477 ND2 ASN A 89 2.913 17.234 -9.487 1.00 0.00 N ATOM 0 H ASN A 89 -0.970 17.210 -11.138 1.00 0.00 H new ATOM 0 HA ASN A 89 0.482 14.795 -10.930 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.036 17.130 -9.056 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.032 15.758 -8.612 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.732 17.645 -9.935 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.922 17.043 -8.485 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.201 15.095 -9.039 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.218 14.354 -8.288 1.00 0.00 C ATOM 1486 C TYR A 90 -3.702 13.151 -9.074 1.00 0.00 C ATOM 1487 O TYR A 90 -3.651 12.016 -8.595 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.408 15.267 -8.005 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.290 16.084 -6.754 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.113 16.736 -6.425 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.365 16.203 -5.900 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -3.013 17.481 -5.275 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.277 16.943 -4.756 1.00 0.00 C ATOM 1494 CZ TYR A 90 -4.096 17.582 -4.444 1.00 0.00 C ATOM 1495 OH TYR A 90 -4.004 18.328 -3.298 1.00 0.00 O ATOM 0 H TYR A 90 -2.421 16.083 -9.168 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.771 14.011 -7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.540 15.941 -8.851 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.309 14.657 -7.940 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.260 16.657 -7.083 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.292 15.703 -6.139 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.089 17.982 -5.029 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.129 17.027 -4.098 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.876 18.352 -2.852 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.168 13.414 -10.283 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.684 12.384 -11.167 1.00 0.00 C ATOM 1507 C GLU A 91 -3.647 11.295 -11.425 1.00 0.00 C ATOM 1508 O GLU A 91 -3.968 10.103 -11.413 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.152 13.021 -12.473 1.00 0.00 C ATOM 1510 CG GLU A 91 -5.809 12.044 -13.430 1.00 0.00 C ATOM 1511 CD GLU A 91 -6.564 12.738 -14.534 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -5.924 13.266 -15.459 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -7.814 12.760 -14.481 1.00 0.00 O ATOM 0 H GLU A 91 -4.199 14.353 -10.680 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.533 11.903 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.857 13.821 -12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.297 13.481 -12.969 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.046 11.398 -13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.492 11.401 -12.875 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.403 11.701 -11.637 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.335 10.751 -11.890 1.00 0.00 C ATOM 1522 C GLU A 92 -1.072 9.876 -10.668 1.00 0.00 C ATOM 1523 O GLU A 92 -0.994 8.649 -10.786 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.057 11.462 -12.344 1.00 0.00 C ATOM 1525 CG GLU A 92 1.110 10.519 -12.603 1.00 0.00 C ATOM 1526 CD GLU A 92 2.285 11.203 -13.258 1.00 0.00 C ATOM 1527 OE1 GLU A 92 3.002 11.958 -12.571 1.00 0.00 O ATOM 1528 OE2 GLU A 92 2.507 10.976 -14.467 1.00 0.00 O ATOM 0 H GLU A 92 -2.112 12.678 -11.638 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.659 10.099 -12.701 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.268 12.023 -13.254 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.235 12.186 -11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.432 10.080 -11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.774 9.699 -13.237 1.00 0.00 H new ATOM 1535 N ALA A 93 -0.944 10.497 -9.491 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.717 9.753 -8.258 1.00 0.00 C ATOM 1537 C ALA A 93 -1.859 8.784 -7.991 1.00 0.00 C ATOM 1538 O ALA A 93 -1.644 7.646 -7.564 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.539 10.708 -7.086 1.00 0.00 C ATOM 0 H ALA A 93 -0.994 11.509 -9.371 1.00 0.00 H new ATOM 0 HA ALA A 93 0.198 9.172 -8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.371 10.136 -6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.317 11.356 -7.272 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.436 11.316 -6.973 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.079 9.253 -8.248 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.282 8.447 -8.088 1.00 0.00 C ATOM 1547 C GLN A 94 -4.217 7.242 -9.020 1.00 0.00 C ATOM 1548 O GLN A 94 -4.549 6.120 -8.637 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.514 9.298 -8.406 1.00 0.00 C ATOM 1550 CG GLN A 94 -6.844 8.606 -8.164 1.00 0.00 C ATOM 1551 CD GLN A 94 -8.020 9.472 -8.571 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -8.544 10.256 -7.768 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -8.440 9.345 -9.814 1.00 0.00 N ATOM 0 H GLN A 94 -3.258 10.203 -8.573 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.352 8.094 -7.059 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.477 10.205 -7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.466 9.607 -9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.872 7.671 -8.723 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.932 8.349 -7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.980 8.687 -10.443 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.225 9.905 -10.147 1.00 0.00 H new ATOM 1562 N THR A 95 -3.786 7.496 -10.245 1.00 0.00 N ATOM 1563 CA THR A 95 -3.619 6.450 -11.228 1.00 0.00 C ATOM 1564 C THR A 95 -2.637 5.375 -10.734 1.00 0.00 C ATOM 1565 O THR A 95 -2.936 4.178 -10.787 1.00 0.00 O ATOM 1566 CB THR A 95 -3.134 7.014 -12.582 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.061 8.009 -13.055 1.00 0.00 O ATOM 1568 CG2 THR A 95 -3.019 5.901 -13.620 1.00 0.00 C ATOM 0 H THR A 95 -3.545 8.429 -10.580 1.00 0.00 H new ATOM 0 HA THR A 95 -4.598 5.994 -11.374 1.00 0.00 H new ATOM 0 HB THR A 95 -2.152 7.463 -12.435 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.074 8.766 -12.433 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.676 6.320 -14.566 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.305 5.153 -13.274 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.994 5.434 -13.762 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.491 5.810 -10.207 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.462 4.879 -9.762 1.00 0.00 C ATOM 1578 C LEU A 96 -0.882 4.112 -8.514 1.00 0.00 C ATOM 1579 O LEU A 96 -0.649 2.907 -8.415 1.00 0.00 O ATOM 1580 CB LEU A 96 0.863 5.605 -9.509 1.00 0.00 C ATOM 1581 CG LEU A 96 1.464 6.326 -10.720 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.740 7.053 -10.333 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.733 5.345 -11.852 1.00 0.00 C ATOM 0 H LEU A 96 -1.256 6.795 -10.080 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.324 4.157 -10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.711 6.334 -8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.590 4.880 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 96 0.741 7.063 -11.069 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.150 7.558 -11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.519 7.788 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.467 6.335 -9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.159 5.878 -12.702 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.434 4.582 -11.513 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.798 4.871 -12.153 1.00 0.00 H new ATOM 1595 N SER A 97 -1.501 4.808 -7.562 1.00 0.00 N ATOM 1596 CA SER A 97 -1.940 4.176 -6.324 1.00 0.00 C ATOM 1597 C SER A 97 -2.951 3.068 -6.604 1.00 0.00 C ATOM 1598 O SER A 97 -2.892 1.985 -6.023 1.00 0.00 O ATOM 1599 CB SER A 97 -2.502 5.216 -5.349 1.00 0.00 C ATOM 1600 OG SER A 97 -3.377 6.113 -6.005 1.00 0.00 O ATOM 0 H SER A 97 -1.708 5.805 -7.625 1.00 0.00 H new ATOM 0 HA SER A 97 -1.072 3.716 -5.851 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.033 4.712 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.682 5.771 -4.894 1.00 0.00 H new ATOM 0 HG SER A 97 -2.854 6.778 -6.499 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.863 3.360 -7.527 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.885 2.421 -7.943 1.00 0.00 C ATOM 1608 C LYS A 98 -4.229 1.161 -8.506 1.00 0.00 C ATOM 1609 O LYS A 98 -4.617 0.034 -8.179 1.00 0.00 O ATOM 1610 CB LYS A 98 -5.772 3.067 -9.006 1.00 0.00 C ATOM 1611 CG LYS A 98 -7.055 2.313 -9.288 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.817 2.931 -10.460 1.00 0.00 C ATOM 1613 CE LYS A 98 -8.191 4.385 -10.190 1.00 0.00 C ATOM 1614 NZ LYS A 98 -8.842 5.020 -11.363 1.00 0.00 N ATOM 0 H LYS A 98 -3.909 4.260 -8.006 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.498 2.149 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.021 4.079 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.204 3.154 -9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.825 1.271 -9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.685 2.318 -8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.206 2.874 -11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.721 2.353 -10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.863 4.433 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.295 4.946 -9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.079 6.007 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.192 4.998 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.711 4.501 -11.601 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.225 1.369 -9.352 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.473 0.274 -9.942 1.00 0.00 C ATOM 1630 C ILE A 99 -1.796 -0.567 -8.854 1.00 0.00 C ATOM 1631 O ILE A 99 -1.821 -1.803 -8.896 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.401 0.792 -10.934 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.070 1.501 -12.118 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.522 -0.354 -11.421 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -1.093 2.106 -13.105 1.00 0.00 C ATOM 0 H ILE A 99 -2.914 2.295 -9.644 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.182 -0.347 -10.490 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.767 1.510 -10.414 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.706 0.788 -12.643 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.720 2.288 -11.737 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.224 0.030 -12.116 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.021 -0.816 -10.570 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.140 -1.097 -11.925 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.644 2.589 -13.913 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.473 2.844 -12.597 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.459 1.321 -13.517 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.216 0.122 -7.876 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.520 -0.521 -6.769 1.00 0.00 C ATOM 1649 C LEU A 100 -1.449 -1.442 -5.980 1.00 0.00 C ATOM 1650 O LEU A 100 -1.131 -2.608 -5.748 1.00 0.00 O ATOM 1651 CB LEU A 100 0.094 0.534 -5.839 1.00 0.00 C ATOM 1652 CG LEU A 100 0.820 -0.004 -4.602 1.00 0.00 C ATOM 1653 CD1 LEU A 100 2.005 -0.868 -5.004 1.00 0.00 C ATOM 1654 CD2 LEU A 100 1.269 1.143 -3.709 1.00 0.00 C ATOM 0 H LEU A 100 -1.216 1.141 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 100 0.277 -1.133 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.797 1.134 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.699 1.204 -5.508 1.00 0.00 H new ATOM 0 HG LEU A 100 0.124 -0.626 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.505 -1.239 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.655 -1.711 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.705 -0.274 -5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.783 0.744 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.947 1.792 -4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.399 1.716 -3.388 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.605 -0.910 -5.584 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.582 -1.665 -4.800 1.00 0.00 C ATOM 1668 C LEU A 101 -4.042 -2.915 -5.531 1.00 0.00 C ATOM 1669 O LEU A 101 -4.133 -3.990 -4.927 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.789 -0.788 -4.433 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.683 0.010 -3.119 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -4.648 -0.928 -1.921 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.456 0.912 -3.123 1.00 0.00 C ATOM 0 H LEU A 101 -2.889 0.047 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.086 -1.977 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.960 -0.084 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.670 -1.427 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.568 0.641 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.573 -0.344 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.561 -1.524 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.785 -1.589 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.406 1.463 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.558 0.304 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.524 1.615 -3.953 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.326 -2.790 -6.821 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.734 -3.944 -7.613 1.00 0.00 C ATOM 1687 C LYS A 102 -3.654 -5.019 -7.595 1.00 0.00 C ATOM 1688 O LYS A 102 -3.954 -6.196 -7.372 1.00 0.00 O ATOM 1689 CB LYS A 102 -5.046 -3.544 -9.053 1.00 0.00 C ATOM 1690 CG LYS A 102 -6.266 -2.645 -9.198 1.00 0.00 C ATOM 1691 CD LYS A 102 -6.663 -2.485 -10.656 1.00 0.00 C ATOM 1692 CE LYS A 102 -5.570 -1.814 -11.471 1.00 0.00 C ATOM 1693 NZ LYS A 102 -5.878 -1.834 -12.919 1.00 0.00 N ATOM 0 H LYS A 102 -4.282 -1.911 -7.337 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.642 -4.347 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.180 -3.033 -9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.201 -4.447 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.100 -3.066 -8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.053 -1.667 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.884 -3.464 -11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.578 -1.896 -10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.449 -0.783 -11.139 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.621 -2.320 -11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.111 -1.368 -13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.969 -2.819 -13.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.771 -1.330 -13.091 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.400 -4.621 -7.819 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.285 -5.573 -7.820 1.00 0.00 C ATOM 1709 C ASP A 103 -1.185 -6.279 -6.470 1.00 0.00 C ATOM 1710 O ASP A 103 -0.927 -7.483 -6.413 1.00 0.00 O ATOM 1711 CB ASP A 103 0.039 -4.854 -8.136 1.00 0.00 C ATOM 1712 CG ASP A 103 1.077 -5.761 -8.793 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.548 -6.711 -8.152 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.426 -5.514 -9.971 1.00 0.00 O ATOM 0 H ASP A 103 -2.131 -3.654 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.473 -6.317 -8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.163 -4.008 -8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.453 -4.448 -7.213 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.423 -5.545 -5.378 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.372 -6.125 -4.038 1.00 0.00 C ATOM 1721 C LEU A 104 -2.448 -7.196 -3.870 1.00 0.00 C ATOM 1722 O LEU A 104 -2.157 -8.332 -3.487 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.581 -5.035 -2.970 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.530 -3.924 -2.911 1.00 0.00 C ATOM 1725 CD1 LEU A 104 -0.949 -2.849 -1.923 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.822 -4.489 -2.526 1.00 0.00 C ATOM 0 H LEU A 104 -1.652 -4.551 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.389 -6.578 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.554 -4.575 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.622 -5.518 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.450 -3.477 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.191 -2.067 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.901 -2.420 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.056 -3.288 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.556 -3.684 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.753 -4.962 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.131 -5.228 -3.265 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.697 -6.824 -4.158 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.827 -7.736 -4.001 1.00 0.00 C ATOM 1740 C LYS A 105 -4.706 -8.959 -4.920 1.00 0.00 C ATOM 1741 O LYS A 105 -5.155 -10.052 -4.566 1.00 0.00 O ATOM 1742 CB LYS A 105 -6.166 -7.014 -4.232 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.332 -5.725 -3.420 1.00 0.00 C ATOM 1744 CD LYS A 105 -6.220 -5.946 -1.901 1.00 0.00 C ATOM 1745 CE LYS A 105 -7.558 -6.326 -1.257 1.00 0.00 C ATOM 1746 NZ LYS A 105 -7.942 -7.743 -1.496 1.00 0.00 N ATOM 0 H LYS A 105 -3.949 -5.897 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.806 -8.093 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.260 -6.777 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.981 -7.694 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.575 -5.006 -3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.303 -5.284 -3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.491 -6.733 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.842 -5.037 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.500 -6.148 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.340 -5.674 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.941 -7.788 -1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.347 -8.141 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.807 -8.291 -0.623 1.00 0.00 H new ATOM 1760 N GLU A 106 -4.111 -8.774 -6.101 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.883 -9.893 -7.019 1.00 0.00 C ATOM 1762 C GLU A 106 -2.893 -10.866 -6.393 1.00 0.00 C ATOM 1763 O GLU A 106 -3.037 -12.086 -6.503 1.00 0.00 O ATOM 1764 CB GLU A 106 -3.337 -9.404 -8.360 1.00 0.00 C ATOM 1765 CG GLU A 106 -3.242 -10.503 -9.410 1.00 0.00 C ATOM 1766 CD GLU A 106 -2.408 -10.108 -10.602 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -2.767 -9.137 -11.294 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -1.379 -10.766 -10.854 1.00 0.00 O ATOM 0 H GLU A 106 -3.782 -7.871 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.836 -10.391 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.978 -8.607 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.348 -8.972 -8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.815 -11.397 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.245 -10.765 -9.746 1.00 0.00 H new ATOM 1775 N THR A 107 -1.905 -10.306 -5.716 1.00 0.00 N ATOM 1776 CA THR A 107 -0.897 -11.085 -5.029 1.00 0.00 C ATOM 1777 C THR A 107 -1.560 -11.906 -3.930 1.00 0.00 C ATOM 1778 O THR A 107 -1.296 -13.093 -3.784 1.00 0.00 O ATOM 1779 CB THR A 107 0.173 -10.164 -4.424 1.00 0.00 C ATOM 1780 OG1 THR A 107 0.722 -9.342 -5.459 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.285 -10.969 -3.773 1.00 0.00 C ATOM 0 H THR A 107 -1.782 -9.297 -5.629 1.00 0.00 H new ATOM 0 HA THR A 107 -0.413 -11.752 -5.742 1.00 0.00 H new ATOM 0 HB THR A 107 -0.294 -9.546 -3.657 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.165 -8.544 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.028 -10.290 -3.354 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.869 -11.588 -2.978 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.757 -11.607 -4.520 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.438 -11.249 -3.182 1.00 0.00 N ATOM 1790 CA GLU A 108 -3.244 -11.881 -2.143 1.00 0.00 C ATOM 1791 C GLU A 108 -3.929 -13.142 -2.686 1.00 0.00 C ATOM 1792 O GLU A 108 -3.815 -14.224 -2.102 1.00 0.00 O ATOM 1793 CB GLU A 108 -4.289 -10.865 -1.682 1.00 0.00 C ATOM 1794 CG GLU A 108 -5.329 -11.391 -0.716 1.00 0.00 C ATOM 1795 CD GLU A 108 -6.529 -10.475 -0.657 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -6.458 -9.431 0.012 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -7.541 -10.775 -1.322 1.00 0.00 O ATOM 0 H GLU A 108 -2.613 -10.249 -3.281 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.613 -12.183 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.773 -10.027 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.801 -10.472 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.644 -12.388 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.891 -11.487 0.278 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.621 -12.994 -3.811 1.00 0.00 N ATOM 1805 CA GLN A 109 -5.296 -14.114 -4.453 1.00 0.00 C ATOM 1806 C GLN A 109 -4.308 -15.213 -4.820 1.00 0.00 C ATOM 1807 O GLN A 109 -4.611 -16.394 -4.684 1.00 0.00 O ATOM 1808 CB GLN A 109 -6.032 -13.662 -5.708 1.00 0.00 C ATOM 1809 CG GLN A 109 -7.015 -12.534 -5.482 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.873 -12.278 -6.698 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -8.183 -13.197 -7.452 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -8.254 -11.037 -6.906 1.00 0.00 N ATOM 0 H GLN A 109 -4.729 -12.104 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.017 -14.508 -3.737 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.299 -13.346 -6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -6.566 -14.514 -6.129 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -7.654 -12.775 -4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -6.471 -11.625 -5.225 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.975 -10.302 -6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.828 -10.809 -7.718 1.00 0.00 H new ATOM 1821 N LYS A 110 -3.127 -14.815 -5.287 1.00 0.00 N ATOM 1822 CA LYS A 110 -2.102 -15.759 -5.698 1.00 0.00 C ATOM 1823 C LYS A 110 -1.527 -16.530 -4.500 1.00 0.00 C ATOM 1824 O LYS A 110 -1.262 -17.736 -4.583 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.994 -15.046 -6.481 1.00 0.00 C ATOM 1826 CG LYS A 110 0.008 -15.991 -7.130 1.00 0.00 C ATOM 1827 CD LYS A 110 -0.671 -16.974 -8.073 1.00 0.00 C ATOM 1828 CE LYS A 110 -1.200 -16.294 -9.331 1.00 0.00 C ATOM 1829 NZ LYS A 110 -0.110 -15.707 -10.155 1.00 0.00 N ATOM 0 H LYS A 110 -2.859 -13.836 -5.389 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.570 -16.491 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.449 -14.428 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.462 -14.374 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.750 -15.412 -7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.543 -16.541 -6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.037 -17.754 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.494 -17.464 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.754 -17.019 -9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.903 -15.510 -9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.473 -15.485 -11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.235 -14.836 -9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.671 -16.389 -10.234 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.349 -15.829 -3.383 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.869 -16.452 -2.153 1.00 0.00 C ATOM 1845 C VAL A 111 -1.852 -17.524 -1.730 1.00 0.00 C ATOM 1846 O VAL A 111 -1.472 -18.627 -1.357 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.725 -15.410 -1.009 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -0.263 -16.071 0.281 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.233 -14.303 -1.406 1.00 0.00 C ATOM 0 H VAL A 111 -1.530 -14.828 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 111 0.113 -16.884 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.708 -14.972 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.171 -15.318 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.991 -16.823 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.704 -16.547 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.318 -13.585 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.214 -14.729 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.143 -13.798 -2.296 1.00 0.00 H new ATOM 1859 N LYS A 112 -3.124 -17.187 -1.823 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.200 -18.103 -1.503 1.00 0.00 C ATOM 1861 C LYS A 112 -4.320 -19.183 -2.571 1.00 0.00 C ATOM 1862 O LYS A 112 -4.879 -20.253 -2.327 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.509 -17.333 -1.403 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.543 -16.324 -0.270 1.00 0.00 C ATOM 1865 CD LYS A 112 -6.700 -15.349 -0.426 1.00 0.00 C ATOM 1866 CE LYS A 112 -8.036 -16.068 -0.542 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.386 -16.814 0.697 1.00 0.00 N ATOM 0 H LYS A 112 -3.441 -16.265 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.981 -18.582 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.687 -16.814 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.327 -18.041 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.633 -16.847 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.603 -15.773 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.724 -14.674 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.540 -14.735 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.819 -15.342 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.001 -16.761 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.319 -17.259 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.671 -17.549 0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.413 -16.156 1.502 1.00 0.00 H new ATOM 1881 N ASP A 113 -3.795 -18.891 -3.753 1.00 0.00 N ATOM 1882 CA ASP A 113 -3.847 -19.815 -4.878 1.00 0.00 C ATOM 1883 C ASP A 113 -2.976 -21.027 -4.624 1.00 0.00 C ATOM 1884 O ASP A 113 -3.325 -22.142 -5.024 1.00 0.00 O ATOM 1885 CB ASP A 113 -3.414 -19.122 -6.176 1.00 0.00 C ATOM 1886 CG ASP A 113 -3.368 -20.063 -7.359 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -4.432 -20.337 -7.946 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -2.269 -20.526 -7.713 1.00 0.00 O ATOM 0 H ASP A 113 -3.323 -18.011 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.880 -20.145 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.103 -18.306 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.429 -18.677 -6.033 1.00 0.00 H new ATOM 1893 N ILE A 114 -1.846 -20.821 -3.958 1.00 0.00 N ATOM 1894 CA ILE A 114 -0.945 -21.920 -3.634 1.00 0.00 C ATOM 1895 C ILE A 114 -1.561 -22.817 -2.560 1.00 0.00 C ATOM 1896 O ILE A 114 -1.930 -22.353 -1.477 1.00 0.00 O ATOM 1897 CB ILE A 114 0.452 -21.389 -3.156 1.00 0.00 C ATOM 1898 CG1 ILE A 114 1.386 -21.148 -4.342 1.00 0.00 C ATOM 1899 CG2 ILE A 114 1.111 -22.329 -2.158 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.893 -20.114 -5.314 1.00 0.00 C ATOM 0 H ILE A 114 -1.533 -19.906 -3.633 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.794 -22.505 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 114 0.269 -20.440 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.361 -20.840 -3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.532 -22.089 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.075 -21.921 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.471 -22.436 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.259 -23.305 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.613 -20.004 -6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.068 -20.427 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.775 -19.159 -4.801 1.00 0.00 H new ATOM 1912 N GLN A 115 -1.704 -24.093 -2.884 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.229 -25.058 -1.944 1.00 0.00 C ATOM 1914 C GLN A 115 -1.139 -25.465 -0.962 1.00 0.00 C ATOM 1915 O GLN A 115 -0.060 -25.914 -1.361 1.00 0.00 O ATOM 1916 CB GLN A 115 -2.774 -26.287 -2.684 1.00 0.00 C ATOM 1917 CG GLN A 115 -1.729 -27.044 -3.491 1.00 0.00 C ATOM 1918 CD GLN A 115 -2.325 -28.164 -4.313 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -2.467 -29.291 -3.839 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -2.664 -27.870 -5.550 1.00 0.00 N ATOM 0 H GLN A 115 -1.461 -24.481 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.051 -24.603 -1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.218 -26.967 -1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -3.573 -25.969 -3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.213 -26.348 -4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -0.980 -27.455 -2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -2.530 -26.923 -5.904 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -3.061 -28.589 -6.155 1.00 0.00 H new ATOM 1929 N THR A 116 -1.396 -25.278 0.304 1.00 0.00 N ATOM 1930 CA THR A 116 -0.440 -25.641 1.315 1.00 0.00 C ATOM 1931 C THR A 116 -0.990 -26.750 2.206 1.00 0.00 C ATOM 1932 O THR A 116 -2.065 -27.302 1.930 1.00 0.00 O ATOM 1933 CB THR A 116 -0.074 -24.418 2.164 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.263 -23.860 2.749 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.604 -23.366 1.305 1.00 0.00 C ATOM 0 H THR A 116 -2.262 -24.875 0.661 1.00 0.00 H new ATOM 0 HA THR A 116 0.458 -26.010 0.819 1.00 0.00 H new ATOM 0 HB THR A 116 0.611 -24.731 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.132 -22.901 2.905 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.859 -22.503 1.920 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.513 -23.782 0.870 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.072 -23.057 0.508 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.254 -27.082 3.257 1.00 0.00 N ATOM 1944 CA GLN A 117 -0.683 -28.096 4.198 1.00 0.00 C ATOM 1945 C GLN A 117 -1.696 -27.521 5.165 1.00 0.00 C ATOM 1946 O GLN A 117 -2.863 -27.940 5.124 1.00 0.00 O ATOM 1947 CB GLN A 117 0.504 -28.676 4.958 1.00 0.00 C ATOM 1948 CG GLN A 117 1.504 -29.398 4.074 1.00 0.00 C ATOM 1949 CD GLN A 117 2.720 -29.866 4.839 1.00 0.00 C ATOM 1950 OE1 GLN A 117 3.717 -29.150 4.937 1.00 0.00 O ATOM 1951 NE2 GLN A 117 2.646 -31.060 5.391 1.00 0.00 N ATOM 1952 OXT GLN A 117 -1.327 -26.622 5.940 1.00 0.00 O ATOM 0 H GLN A 117 0.648 -26.659 3.477 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.151 -28.903 3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 117 1.015 -27.870 5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 117 0.136 -29.369 5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 117 1.019 -30.256 3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 117 1.819 -28.734 3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 117 1.800 -31.620 5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 117 3.435 -31.425 5.925 1.00 0.00 H new