USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 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 43 TYR OH : rot -135:sc= 0.593 USER MOD Set 1.2: A 84 HIS :FLIP no HD1:sc= -0.451 F(o=-1.5,f=0.14) USER MOD Set 2.1: A 73 THR OG1 : rot 54:sc= -2.9! USER MOD Set 2.2: A 77 ASN : amide:sc= -4.74! C(o=-7.6!,f=-9.8!) USER MOD Set 3.1: A 56 MET CE :methyl -149:sc= -2.79 (180deg=-5.46!) USER MOD Set 3.2: A 64 MET CE :methyl -145:sc= -1.28 (180deg=-4.94!) USER MOD Set 4.1: A 29 GLN : amide:sc= -2.1 K(o=-4.6,f=-5.6!) USER MOD Set 4.2: A 55 ASN : amide:sc= -2.53 K(o=-4.6,f=-5.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.077 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 31 HIS : no HD1:sc= -2.04! X(o=-2!,f=-2.3) USER MOD Single : A 34 GLN : amide:sc= -0.0804 K(o=-0.08,f=-1.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 59 LYS NZ :NH3+ -122:sc= -1.05 (180deg=-2.16) USER MOD Single : A 62 CYS SG : rot 70:sc= -0.571 USER MOD Single : A 63 LYS NZ :NH3+ -128:sc= 0.825 (180deg=-0.000868) USER MOD Single : A 65 ASN : amide:sc= -1.48 K(o=-1.5,f=-5.3!) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= -0.405 (180deg=-0.595) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 86:sc= 0.63 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.731 13.983 23.005 1.00 0.00 N ATOM 266 CA VAL A 20 5.316 13.266 24.205 1.00 0.00 C ATOM 267 C VAL A 20 6.439 13.224 25.235 1.00 0.00 C ATOM 268 O VAL A 20 7.622 13.311 24.905 1.00 0.00 O ATOM 269 CB VAL A 20 4.881 11.826 23.875 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.522 11.820 23.192 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.926 11.139 23.008 1.00 0.00 C ATOM 0 HA VAL A 20 4.466 13.808 24.621 1.00 0.00 H new ATOM 0 HB VAL A 20 4.793 11.270 24.808 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.232 10.794 22.967 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.781 12.270 23.853 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.578 12.393 22.266 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.602 10.122 22.785 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.049 11.694 22.078 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.877 11.108 23.540 1.00 0.00 H new ATOM 281 N PRO A 21 6.062 13.085 26.515 1.00 0.00 N ATOM 282 CA PRO A 21 7.023 13.027 27.621 1.00 0.00 C ATOM 283 C PRO A 21 7.833 11.735 27.617 1.00 0.00 C ATOM 284 O PRO A 21 7.352 10.691 27.179 1.00 0.00 O ATOM 285 CB PRO A 21 6.135 13.098 28.866 1.00 0.00 C ATOM 286 CG PRO A 21 4.816 12.568 28.421 1.00 0.00 C ATOM 287 CD PRO A 21 4.670 12.975 26.981 1.00 0.00 C ATOM 0 HA PRO A 21 7.762 13.826 27.562 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.547 12.502 29.680 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.048 14.121 29.232 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.776 11.484 28.526 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.007 12.977 29.026 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.112 12.234 26.409 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.137 13.921 26.883 1.00 0.00 H new ATOM 295 N ALA A 22 9.065 11.813 28.110 1.00 0.00 N ATOM 296 CA ALA A 22 9.940 10.650 28.165 1.00 0.00 C ATOM 297 C ALA A 22 9.244 9.470 28.836 1.00 0.00 C ATOM 298 O ALA A 22 9.006 8.439 28.208 1.00 0.00 O ATOM 299 CB ALA A 22 11.228 10.992 28.901 1.00 0.00 C ATOM 0 H ALA A 22 9.479 12.670 28.477 1.00 0.00 H new ATOM 0 HA ALA A 22 10.184 10.362 27.142 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.872 10.113 28.934 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.742 11.799 28.379 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.993 11.309 29.917 1.00 0.00 H new ATOM 305 N ASP A 23 8.921 9.629 30.115 1.00 0.00 N ATOM 306 CA ASP A 23 8.251 8.577 30.871 1.00 0.00 C ATOM 307 C ASP A 23 6.931 8.190 30.211 1.00 0.00 C ATOM 308 O ASP A 23 5.974 8.964 30.181 1.00 0.00 O ATOM 309 CB ASP A 23 8.002 9.033 32.309 1.00 0.00 C ATOM 310 CG ASP A 23 8.833 8.258 33.313 1.00 0.00 C ATOM 311 OD1 ASP A 23 9.010 7.038 33.121 1.00 0.00 O ATOM 312 OD2 ASP A 23 9.306 8.873 34.293 1.00 0.00 O ATOM 0 H ASP A 23 9.112 10.476 30.650 1.00 0.00 H new ATOM 0 HA ASP A 23 8.901 7.702 30.883 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.231 10.095 32.395 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.945 8.914 32.547 1.00 0.00 H new ATOM 317 N PRO A 24 6.877 6.965 29.668 1.00 0.00 N ATOM 318 CA PRO A 24 5.680 6.448 28.998 1.00 0.00 C ATOM 319 C PRO A 24 4.542 6.172 29.976 1.00 0.00 C ATOM 320 O PRO A 24 3.379 6.083 29.582 1.00 0.00 O ATOM 321 CB PRO A 24 6.165 5.144 28.361 1.00 0.00 C ATOM 322 CG PRO A 24 7.323 4.721 29.198 1.00 0.00 C ATOM 323 CD PRO A 24 7.980 5.990 29.667 1.00 0.00 C ATOM 0 HA PRO A 24 5.273 7.162 28.282 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.380 4.388 28.360 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.461 5.297 27.323 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.994 4.117 30.043 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.019 4.111 28.622 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.415 5.874 30.660 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.786 6.296 29.000 1.00 0.00 H new ATOM 331 N THR A 25 4.886 6.038 31.253 1.00 0.00 N ATOM 332 CA THR A 25 3.894 5.771 32.287 1.00 0.00 C ATOM 333 C THR A 25 3.023 6.996 32.543 1.00 0.00 C ATOM 334 O THR A 25 1.934 6.889 33.110 1.00 0.00 O ATOM 335 CB THR A 25 4.560 5.344 33.609 1.00 0.00 C ATOM 336 OG1 THR A 25 5.824 6.001 33.754 1.00 0.00 O ATOM 337 CG2 THR A 25 4.758 3.836 33.653 1.00 0.00 C ATOM 0 H THR A 25 5.844 6.110 31.596 1.00 0.00 H new ATOM 0 HA THR A 25 3.271 4.954 31.923 1.00 0.00 H new ATOM 0 HB THR A 25 3.904 5.632 34.431 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.241 5.726 34.597 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.230 3.558 34.596 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.791 3.340 33.571 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.395 3.528 32.824 1.00 0.00 H new ATOM 345 N LEU A 26 3.507 8.159 32.121 1.00 0.00 N ATOM 346 CA LEU A 26 2.772 9.405 32.304 1.00 0.00 C ATOM 347 C LEU A 26 1.897 9.704 31.091 1.00 0.00 C ATOM 348 O LEU A 26 1.089 10.632 31.110 1.00 0.00 O ATOM 349 CB LEU A 26 3.743 10.563 32.543 1.00 0.00 C ATOM 350 CG LEU A 26 4.651 10.435 33.767 1.00 0.00 C ATOM 351 CD1 LEU A 26 5.707 11.530 33.766 1.00 0.00 C ATOM 352 CD2 LEU A 26 3.830 10.485 35.048 1.00 0.00 C ATOM 0 H LEU A 26 4.405 8.265 31.650 1.00 0.00 H new ATOM 0 HA LEU A 26 2.128 9.293 33.176 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.371 10.672 31.659 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.165 11.482 32.639 1.00 0.00 H new ATOM 0 HG LEU A 26 5.157 9.471 33.720 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.343 11.423 34.644 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.315 11.448 32.865 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.220 12.505 33.788 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.492 10.392 35.909 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.296 11.434 35.101 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.113 9.664 35.053 1.00 0.00 H new ATOM 364 N TRP A 27 2.061 8.910 30.040 1.00 0.00 N ATOM 365 CA TRP A 27 1.284 9.088 28.818 1.00 0.00 C ATOM 366 C TRP A 27 -0.210 8.993 29.106 1.00 0.00 C ATOM 367 O TRP A 27 -0.664 8.077 29.792 1.00 0.00 O ATOM 368 CB TRP A 27 1.684 8.041 27.778 1.00 0.00 C ATOM 369 CG TRP A 27 2.979 8.350 27.091 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.685 9.517 27.160 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.721 7.480 26.229 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.822 9.425 26.393 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.868 8.185 25.813 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.531 6.173 25.771 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.816 7.626 24.960 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.472 5.620 24.924 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.603 6.345 24.526 1.00 0.00 C ATOM 0 H TRP A 27 2.725 8.136 30.009 1.00 0.00 H new ATOM 0 HA TRP A 27 1.496 10.081 28.422 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.762 7.068 28.264 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.895 7.962 27.031 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.393 10.385 27.733 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.518 10.161 26.275 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.664 5.605 26.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.688 8.183 24.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.333 4.612 24.563 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.321 5.884 23.864 1.00 0.00 H new ATOM 388 N THR A 28 -0.972 9.945 28.576 1.00 0.00 N ATOM 389 CA THR A 28 -2.416 9.969 28.776 1.00 0.00 C ATOM 390 C THR A 28 -3.118 9.005 27.828 1.00 0.00 C ATOM 391 O THR A 28 -2.473 8.323 27.032 1.00 0.00 O ATOM 392 CB THR A 28 -2.988 11.384 28.570 1.00 0.00 C ATOM 393 OG1 THR A 28 -2.997 11.710 27.176 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.170 12.415 29.332 1.00 0.00 C ATOM 0 H THR A 28 -0.613 10.710 28.005 1.00 0.00 H new ATOM 0 HA THR A 28 -2.598 9.659 29.805 1.00 0.00 H new ATOM 0 HB THR A 28 -4.008 11.399 28.953 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.364 12.610 27.053 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.593 13.406 29.171 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.189 12.181 30.396 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.140 12.398 28.976 1.00 0.00 H new ATOM 402 N GLN A 29 -4.444 8.955 27.917 1.00 0.00 N ATOM 403 CA GLN A 29 -5.233 8.073 27.065 1.00 0.00 C ATOM 404 C GLN A 29 -5.066 8.443 25.595 1.00 0.00 C ATOM 405 O GLN A 29 -5.375 7.650 24.707 1.00 0.00 O ATOM 406 CB GLN A 29 -6.711 8.142 27.455 1.00 0.00 C ATOM 407 CG GLN A 29 -7.331 6.781 27.729 1.00 0.00 C ATOM 408 CD GLN A 29 -8.761 6.881 28.223 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.676 7.180 27.455 1.00 0.00 O ATOM 410 NE2 GLN A 29 -8.962 6.630 29.512 1.00 0.00 N ATOM 0 H GLN A 29 -4.993 9.514 28.570 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.873 7.054 27.207 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.815 8.765 28.343 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.267 8.631 26.655 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.306 6.184 26.817 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.730 6.255 28.471 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.175 6.386 30.113 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.904 6.681 29.901 1.00 0.00 H new ATOM 419 N GLU A 30 -4.574 9.653 25.347 1.00 0.00 N ATOM 420 CA GLU A 30 -4.367 10.128 23.984 1.00 0.00 C ATOM 421 C GLU A 30 -2.926 9.893 23.539 1.00 0.00 C ATOM 422 O GLU A 30 -2.674 9.473 22.409 1.00 0.00 O ATOM 423 CB GLU A 30 -4.708 11.616 23.881 1.00 0.00 C ATOM 424 CG GLU A 30 -4.577 12.174 22.474 1.00 0.00 C ATOM 425 CD GLU A 30 -5.918 12.334 21.782 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.525 13.418 21.911 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.359 11.377 21.113 1.00 0.00 O ATOM 0 H GLU A 30 -4.312 10.321 26.071 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.029 9.565 23.326 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.729 11.771 24.231 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.053 12.177 24.548 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.076 13.141 22.516 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.944 11.513 21.882 1.00 0.00 H new ATOM 434 N HIS A 31 -1.984 10.168 24.435 1.00 0.00 N ATOM 435 CA HIS A 31 -0.568 9.988 24.136 1.00 0.00 C ATOM 436 C HIS A 31 -0.295 8.573 23.634 1.00 0.00 C ATOM 437 O HIS A 31 0.314 8.384 22.581 1.00 0.00 O ATOM 438 CB HIS A 31 0.278 10.273 25.378 1.00 0.00 C ATOM 439 CG HIS A 31 0.561 11.728 25.588 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.869 12.264 26.821 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.582 12.761 24.714 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.067 13.564 26.696 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.899 13.891 25.427 1.00 0.00 N ATOM 0 H HIS A 31 -2.176 10.516 25.374 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.295 10.693 23.351 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.236 9.881 26.256 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.223 9.736 25.295 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.386 12.707 23.653 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.323 14.244 27.495 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.990 14.830 25.040 1.00 0.00 H new ATOM 451 N VAL A 32 -0.749 7.582 24.395 1.00 0.00 N ATOM 452 CA VAL A 32 -0.555 6.185 24.027 1.00 0.00 C ATOM 453 C VAL A 32 -1.004 5.926 22.593 1.00 0.00 C ATOM 454 O VAL A 32 -0.411 5.114 21.883 1.00 0.00 O ATOM 455 CB VAL A 32 -1.324 5.243 24.972 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.222 3.803 24.492 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.805 5.377 26.396 1.00 0.00 C ATOM 0 H VAL A 32 -1.254 7.721 25.270 1.00 0.00 H new ATOM 0 HA VAL A 32 0.512 5.981 24.113 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.376 5.529 24.964 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.772 3.153 25.173 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.646 3.722 23.491 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.175 3.501 24.468 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.360 4.704 27.050 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.254 5.119 26.423 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.937 6.404 26.736 1.00 0.00 H new ATOM 467 N ARG A 33 -2.055 6.623 22.174 1.00 0.00 N ATOM 468 CA ARG A 33 -2.584 6.468 20.824 1.00 0.00 C ATOM 469 C ARG A 33 -1.667 7.131 19.801 1.00 0.00 C ATOM 470 O ARG A 33 -1.255 6.504 18.826 1.00 0.00 O ATOM 471 CB ARG A 33 -3.988 7.070 20.732 1.00 0.00 C ATOM 472 CG ARG A 33 -5.035 6.295 21.514 1.00 0.00 C ATOM 473 CD ARG A 33 -6.441 6.616 21.032 1.00 0.00 C ATOM 474 NE ARG A 33 -6.744 5.971 19.758 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.963 5.917 19.232 1.00 0.00 C ATOM 476 NH1 ARG A 33 -8.987 6.468 19.868 1.00 0.00 N ATOM 477 NH2 ARG A 33 -8.158 5.313 18.067 1.00 0.00 N ATOM 0 H ARG A 33 -2.557 7.300 22.749 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.637 5.402 20.602 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.959 8.096 21.098 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.287 7.114 19.685 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.849 5.226 21.412 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.949 6.533 22.574 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.163 6.294 21.782 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.550 7.695 20.927 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.977 5.538 19.243 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.840 6.935 20.763 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.922 6.425 19.462 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.372 4.889 17.574 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.094 5.272 17.664 1.00 0.00 H new ATOM 491 N GLN A 34 -1.352 8.401 20.031 1.00 0.00 N ATOM 492 CA GLN A 34 -0.485 9.149 19.128 1.00 0.00 C ATOM 493 C GLN A 34 0.828 8.408 18.897 1.00 0.00 C ATOM 494 O GLN A 34 1.247 8.208 17.757 1.00 0.00 O ATOM 495 CB GLN A 34 -0.205 10.543 19.693 1.00 0.00 C ATOM 496 CG GLN A 34 -1.298 11.554 19.387 1.00 0.00 C ATOM 497 CD GLN A 34 -1.208 12.792 20.257 1.00 0.00 C ATOM 498 OE1 GLN A 34 -0.683 12.746 21.370 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.719 13.909 19.753 1.00 0.00 N ATOM 0 H GLN A 34 -1.684 8.934 20.835 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.998 9.249 18.172 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.081 10.470 20.773 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.739 10.907 19.288 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.234 11.846 18.339 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.272 11.085 19.529 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.145 13.902 18.826 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.686 14.774 20.293 1.00 0.00 H new ATOM 508 N TRP A 35 1.472 8.003 19.985 1.00 0.00 N ATOM 509 CA TRP A 35 2.738 7.284 19.901 1.00 0.00 C ATOM 510 C TRP A 35 2.594 6.025 19.054 1.00 0.00 C ATOM 511 O TRP A 35 3.509 5.650 18.319 1.00 0.00 O ATOM 512 CB TRP A 35 3.235 6.918 21.300 1.00 0.00 C ATOM 513 CG TRP A 35 4.378 5.948 21.290 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.688 6.228 21.023 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.312 4.544 21.558 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.440 5.081 21.108 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.619 4.034 21.436 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.276 3.667 21.891 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.915 2.688 21.633 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.571 2.331 22.086 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.881 1.852 21.958 1.00 0.00 C ATOM 0 H TRP A 35 1.139 8.160 20.936 1.00 0.00 H new ATOM 0 HA TRP A 35 3.467 7.939 19.424 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.543 7.826 21.817 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.410 6.491 21.870 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.076 7.207 20.781 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.446 5.019 20.952 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.263 4.027 21.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.924 2.317 21.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.778 1.644 22.342 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.079 0.803 22.119 1.00 0.00 H new ATOM 532 N LEU A 36 1.440 5.374 19.161 1.00 0.00 N ATOM 533 CA LEU A 36 1.176 4.156 18.404 1.00 0.00 C ATOM 534 C LEU A 36 1.195 4.432 16.904 1.00 0.00 C ATOM 535 O LEU A 36 1.991 3.851 16.167 1.00 0.00 O ATOM 536 CB LEU A 36 -0.176 3.564 18.808 1.00 0.00 C ATOM 537 CG LEU A 36 -0.265 2.037 18.815 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.585 1.458 19.935 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.712 1.589 18.954 1.00 0.00 C ATOM 0 H LEU A 36 0.673 5.670 19.765 1.00 0.00 H new ATOM 0 HA LEU A 36 1.963 3.438 18.633 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.426 3.927 19.805 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.936 3.949 18.129 1.00 0.00 H new ATOM 0 HG LEU A 36 0.120 1.665 17.866 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.509 0.371 19.924 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.625 1.751 19.791 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.231 1.837 20.894 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.757 0.500 18.957 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.123 1.972 19.888 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.294 1.974 18.117 1.00 0.00 H new ATOM 551 N GLU A 37 0.315 5.323 16.460 1.00 0.00 N ATOM 552 CA GLU A 37 0.232 5.676 15.047 1.00 0.00 C ATOM 553 C GLU A 37 1.586 6.148 14.525 1.00 0.00 C ATOM 554 O GLU A 37 1.876 6.038 13.333 1.00 0.00 O ATOM 555 CB GLU A 37 -0.818 6.768 14.832 1.00 0.00 C ATOM 556 CG GLU A 37 -2.235 6.321 15.151 1.00 0.00 C ATOM 557 CD GLU A 37 -3.235 6.758 14.098 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.450 7.979 13.954 1.00 0.00 O ATOM 559 OE2 GLU A 37 -3.802 5.877 13.418 1.00 0.00 O ATOM 0 H GLU A 37 -0.350 5.814 17.057 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.062 4.785 14.492 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.569 7.628 15.454 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.776 7.102 13.795 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.258 5.235 15.240 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.531 6.727 16.118 1.00 0.00 H new ATOM 566 N TRP A 38 2.410 6.673 15.424 1.00 0.00 N ATOM 567 CA TRP A 38 3.734 7.162 15.054 1.00 0.00 C ATOM 568 C TRP A 38 4.672 6.004 14.731 1.00 0.00 C ATOM 569 O TRP A 38 5.198 5.910 13.623 1.00 0.00 O ATOM 570 CB TRP A 38 4.321 8.010 16.184 1.00 0.00 C ATOM 571 CG TRP A 38 5.781 8.301 16.011 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.356 9.048 15.023 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.850 7.849 16.849 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.719 9.088 15.196 1.00 0.00 N ATOM 575 CE2 TRP A 38 8.047 8.361 16.310 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.913 7.064 18.003 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.289 8.110 16.886 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.147 6.816 18.574 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.321 7.338 18.016 1.00 0.00 C ATOM 0 H TRP A 38 2.185 6.771 16.414 1.00 0.00 H new ATOM 0 HA TRP A 38 3.629 7.780 14.162 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.775 8.951 16.244 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.171 7.494 17.132 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.819 9.536 14.223 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.379 9.579 14.593 1.00 0.00 H new ATOM 0 HE3 TRP A 38 6.013 6.658 18.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.196 8.510 16.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.207 6.209 19.466 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.270 7.127 18.487 1.00 0.00 H new ATOM 590 N ALA A 39 4.876 5.124 15.706 1.00 0.00 N ATOM 591 CA ALA A 39 5.749 3.971 15.524 1.00 0.00 C ATOM 592 C ALA A 39 5.340 3.161 14.299 1.00 0.00 C ATOM 593 O ALA A 39 6.167 2.486 13.685 1.00 0.00 O ATOM 594 CB ALA A 39 5.733 3.095 16.768 1.00 0.00 C ATOM 0 H ALA A 39 4.448 5.188 16.630 1.00 0.00 H new ATOM 0 HA ALA A 39 6.763 4.336 15.363 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.389 2.238 16.618 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.081 3.673 17.624 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.717 2.746 16.954 1.00 0.00 H new ATOM 600 N ILE A 40 4.060 3.233 13.948 1.00 0.00 N ATOM 601 CA ILE A 40 3.542 2.506 12.796 1.00 0.00 C ATOM 602 C ILE A 40 4.004 3.145 11.490 1.00 0.00 C ATOM 603 O ILE A 40 4.663 2.504 10.671 1.00 0.00 O ATOM 604 CB ILE A 40 2.003 2.449 12.811 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.509 1.745 14.076 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.487 1.740 11.568 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.127 2.181 14.510 1.00 0.00 C ATOM 0 H ILE A 40 3.363 3.788 14.445 1.00 0.00 H new ATOM 0 HA ILE A 40 3.935 1.491 12.860 1.00 0.00 H new ATOM 0 HB ILE A 40 1.617 3.468 12.811 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.504 0.669 13.905 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.213 1.936 14.886 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.398 1.708 11.593 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.814 2.280 10.679 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.879 0.724 11.540 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.158 1.641 15.413 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.131 3.252 14.714 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.589 1.965 13.717 1.00 0.00 H new ATOM 619 N LYS A 41 3.654 4.413 11.303 1.00 0.00 N ATOM 620 CA LYS A 41 4.034 5.142 10.099 1.00 0.00 C ATOM 621 C LYS A 41 5.539 5.392 10.066 1.00 0.00 C ATOM 622 O LYS A 41 6.088 5.791 9.040 1.00 0.00 O ATOM 623 CB LYS A 41 3.284 6.473 10.026 1.00 0.00 C ATOM 624 CG LYS A 41 3.497 7.359 11.241 1.00 0.00 C ATOM 625 CD LYS A 41 4.672 8.302 11.045 1.00 0.00 C ATOM 626 CE LYS A 41 4.217 9.665 10.546 1.00 0.00 C ATOM 627 NZ LYS A 41 5.359 10.486 10.057 1.00 0.00 N ATOM 0 H LYS A 41 3.107 4.957 11.970 1.00 0.00 H new ATOM 0 HA LYS A 41 3.766 4.533 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.603 7.012 9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.218 6.274 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.593 7.937 11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.671 6.738 12.119 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.207 8.419 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.373 7.868 10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.493 9.534 9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.707 10.195 11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.008 11.407 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.038 10.633 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.830 9.993 9.272 1.00 0.00 H new ATOM 641 N GLU A 42 6.199 5.153 11.195 1.00 0.00 N ATOM 642 CA GLU A 42 7.640 5.352 11.294 1.00 0.00 C ATOM 643 C GLU A 42 8.389 4.054 11.009 1.00 0.00 C ATOM 644 O GLU A 42 9.306 4.021 10.187 1.00 0.00 O ATOM 645 CB GLU A 42 8.011 5.873 12.684 1.00 0.00 C ATOM 646 CG GLU A 42 9.499 6.124 12.863 1.00 0.00 C ATOM 647 CD GLU A 42 9.985 7.327 12.078 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.610 8.462 12.441 1.00 0.00 O ATOM 649 OE2 GLU A 42 10.740 7.134 11.103 1.00 0.00 O ATOM 0 H GLU A 42 5.759 4.821 12.053 1.00 0.00 H new ATOM 0 HA GLU A 42 7.931 6.091 10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.470 6.800 12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.680 5.153 13.433 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.714 6.274 13.921 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.054 5.240 12.547 1.00 0.00 H new ATOM 656 N TYR A 43 7.993 2.986 11.693 1.00 0.00 N ATOM 657 CA TYR A 43 8.629 1.686 11.516 1.00 0.00 C ATOM 658 C TYR A 43 7.914 0.872 10.441 1.00 0.00 C ATOM 659 O TYR A 43 8.149 -0.327 10.296 1.00 0.00 O ATOM 660 CB TYR A 43 8.635 0.914 12.836 1.00 0.00 C ATOM 661 CG TYR A 43 9.178 1.710 14.001 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.324 2.483 13.865 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.543 1.691 15.237 1.00 0.00 C ATOM 664 CE1 TYR A 43 10.824 3.212 14.927 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.035 2.417 16.304 1.00 0.00 C ATOM 666 CZ TYR A 43 10.176 3.176 16.144 1.00 0.00 C ATOM 667 OH TYR A 43 10.670 3.901 17.204 1.00 0.00 O ATOM 0 H TYR A 43 7.235 2.995 12.375 1.00 0.00 H new ATOM 0 HA TYR A 43 9.657 1.853 11.196 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.618 0.597 13.066 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.231 0.010 12.715 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.833 2.515 12.913 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.649 1.098 15.365 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.717 3.807 14.805 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.530 2.391 17.258 1.00 0.00 H new ATOM 0 HH TYR A 43 10.664 3.346 18.011 1.00 0.00 H new ATOM 677 N SER A 44 7.040 1.535 9.689 1.00 0.00 N ATOM 678 CA SER A 44 6.288 0.874 8.629 1.00 0.00 C ATOM 679 C SER A 44 5.600 -0.383 9.154 1.00 0.00 C ATOM 680 O SER A 44 5.746 -1.467 8.587 1.00 0.00 O ATOM 681 CB SER A 44 7.214 0.515 7.466 1.00 0.00 C ATOM 682 OG SER A 44 7.700 1.680 6.822 1.00 0.00 O ATOM 0 H SER A 44 6.836 2.529 9.795 1.00 0.00 H new ATOM 0 HA SER A 44 5.523 1.565 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.052 -0.077 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.677 -0.104 6.747 1.00 0.00 H new ATOM 0 HG SER A 44 8.291 1.423 6.083 1.00 0.00 H new ATOM 688 N LEU A 45 4.851 -0.230 10.240 1.00 0.00 N ATOM 689 CA LEU A 45 4.140 -1.352 10.842 1.00 0.00 C ATOM 690 C LEU A 45 2.770 -1.538 10.197 1.00 0.00 C ATOM 691 O LEU A 45 2.149 -0.575 9.748 1.00 0.00 O ATOM 692 CB LEU A 45 3.981 -1.131 12.348 1.00 0.00 C ATOM 693 CG LEU A 45 5.248 -0.727 13.104 1.00 0.00 C ATOM 694 CD1 LEU A 45 4.972 -0.638 14.597 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.372 -1.714 12.825 1.00 0.00 C ATOM 0 H LEU A 45 4.720 0.660 10.722 1.00 0.00 H new ATOM 0 HA LEU A 45 4.727 -2.255 10.673 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.227 -0.360 12.504 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.595 -2.049 12.791 1.00 0.00 H new ATOM 0 HG LEU A 45 5.560 0.257 12.754 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.884 -0.350 15.119 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.198 0.107 14.780 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.636 -1.608 14.963 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.266 -1.411 13.371 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.070 -2.710 13.148 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.587 -1.728 11.756 1.00 0.00 H new ATOM 707 N MET A 46 2.304 -2.782 10.157 1.00 0.00 N ATOM 708 CA MET A 46 1.006 -3.093 9.571 1.00 0.00 C ATOM 709 C MET A 46 0.318 -4.218 10.338 1.00 0.00 C ATOM 710 O MET A 46 0.944 -4.901 11.148 1.00 0.00 O ATOM 711 CB MET A 46 1.168 -3.488 8.101 1.00 0.00 C ATOM 712 CG MET A 46 1.868 -2.431 7.262 1.00 0.00 C ATOM 713 SD MET A 46 1.335 -2.447 5.539 1.00 0.00 S ATOM 714 CE MET A 46 2.274 -1.070 4.882 1.00 0.00 C ATOM 0 H MET A 46 2.806 -3.591 10.523 1.00 0.00 H new ATOM 0 HA MET A 46 0.384 -2.200 9.634 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.733 -4.419 8.043 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.184 -3.685 7.676 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.675 -1.447 7.689 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.945 -2.592 7.307 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.052 -0.951 3.821 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.003 -0.158 5.414 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.339 -1.262 5.010 1.00 0.00 H new ATOM 724 N GLU A 47 -0.972 -4.404 10.076 1.00 0.00 N ATOM 725 CA GLU A 47 -1.743 -5.446 10.744 1.00 0.00 C ATOM 726 C GLU A 47 -1.816 -5.190 12.247 1.00 0.00 C ATOM 727 O GLU A 47 -1.972 -6.120 13.039 1.00 0.00 O ATOM 728 CB GLU A 47 -1.124 -6.820 10.479 1.00 0.00 C ATOM 729 CG GLU A 47 -0.774 -7.058 9.020 1.00 0.00 C ATOM 730 CD GLU A 47 -1.142 -8.452 8.551 1.00 0.00 C ATOM 731 OE1 GLU A 47 -2.352 -8.737 8.430 1.00 0.00 O ATOM 732 OE2 GLU A 47 -0.221 -9.259 8.307 1.00 0.00 O ATOM 0 H GLU A 47 -1.504 -3.848 9.407 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.755 -5.428 10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.222 -6.925 11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.820 -7.592 10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.290 -6.323 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.295 -6.901 8.877 1.00 0.00 H new ATOM 739 N ILE A 48 -1.700 -3.924 12.632 1.00 0.00 N ATOM 740 CA ILE A 48 -1.753 -3.545 14.039 1.00 0.00 C ATOM 741 C ILE A 48 -3.141 -3.043 14.421 1.00 0.00 C ATOM 742 O ILE A 48 -3.756 -2.268 13.688 1.00 0.00 O ATOM 743 CB ILE A 48 -0.716 -2.456 14.368 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.623 -2.250 15.881 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.078 -1.152 13.672 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.764 -1.876 16.356 1.00 0.00 C ATOM 0 H ILE A 48 -1.569 -3.143 11.989 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.522 -4.440 14.616 1.00 0.00 H new ATOM 0 HB ILE A 48 0.258 -2.781 14.004 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.323 -1.468 16.177 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.936 -3.165 16.384 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.335 -0.392 13.914 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.098 -1.309 12.594 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.060 -0.820 14.009 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.755 -1.746 17.438 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.465 -2.668 16.091 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.072 -0.945 15.881 1.00 0.00 H new ATOM 758 N ASP A 49 -3.628 -3.487 15.574 1.00 0.00 N ATOM 759 CA ASP A 49 -4.943 -3.080 16.057 1.00 0.00 C ATOM 760 C ASP A 49 -4.834 -1.862 16.969 1.00 0.00 C ATOM 761 O ASP A 49 -4.602 -1.991 18.171 1.00 0.00 O ATOM 762 CB ASP A 49 -5.615 -4.233 16.804 1.00 0.00 C ATOM 763 CG ASP A 49 -7.128 -4.141 16.769 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.680 -3.212 17.395 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.759 -4.998 16.116 1.00 0.00 O ATOM 0 H ASP A 49 -3.132 -4.129 16.192 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.553 -2.812 15.194 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.301 -5.179 16.364 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.278 -4.236 17.841 1.00 0.00 H new ATOM 770 N THR A 50 -5.001 -0.678 16.388 1.00 0.00 N ATOM 771 CA THR A 50 -4.919 0.564 17.147 1.00 0.00 C ATOM 772 C THR A 50 -6.122 0.724 18.070 1.00 0.00 C ATOM 773 O THR A 50 -6.046 1.409 19.091 1.00 0.00 O ATOM 774 CB THR A 50 -4.835 1.787 16.216 1.00 0.00 C ATOM 775 OG1 THR A 50 -6.054 1.925 15.476 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.664 1.655 15.253 1.00 0.00 C ATOM 0 H THR A 50 -5.194 -0.553 15.394 1.00 0.00 H new ATOM 0 HA THR A 50 -4.009 0.509 17.745 1.00 0.00 H new ATOM 0 HB THR A 50 -4.681 2.674 16.831 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.993 2.706 14.888 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.625 2.531 14.605 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.735 1.580 15.818 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.792 0.760 14.645 1.00 0.00 H new ATOM 784 N SER A 51 -7.230 0.088 17.706 1.00 0.00 N ATOM 785 CA SER A 51 -8.451 0.163 18.501 1.00 0.00 C ATOM 786 C SER A 51 -8.236 -0.443 19.884 1.00 0.00 C ATOM 787 O SER A 51 -8.921 -0.086 20.844 1.00 0.00 O ATOM 788 CB SER A 51 -9.595 -0.561 17.787 1.00 0.00 C ATOM 789 OG SER A 51 -10.723 0.285 17.644 1.00 0.00 O ATOM 0 H SER A 51 -7.308 -0.485 16.866 1.00 0.00 H new ATOM 0 HA SER A 51 -8.714 1.214 18.620 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.261 -0.896 16.805 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.874 -1.452 18.350 1.00 0.00 H new ATOM 0 HG SER A 51 -11.439 -0.200 17.184 1.00 0.00 H new ATOM 795 N PHE A 52 -7.280 -1.361 19.979 1.00 0.00 N ATOM 796 CA PHE A 52 -6.975 -2.018 21.245 1.00 0.00 C ATOM 797 C PHE A 52 -6.336 -1.039 22.226 1.00 0.00 C ATOM 798 O PHE A 52 -6.405 -1.227 23.441 1.00 0.00 O ATOM 799 CB PHE A 52 -6.041 -3.208 21.014 1.00 0.00 C ATOM 800 CG PHE A 52 -6.186 -4.293 22.042 1.00 0.00 C ATOM 801 CD1 PHE A 52 -7.092 -5.325 21.857 1.00 0.00 C ATOM 802 CD2 PHE A 52 -5.417 -4.281 23.195 1.00 0.00 C ATOM 803 CE1 PHE A 52 -7.228 -6.325 22.801 1.00 0.00 C ATOM 804 CE2 PHE A 52 -5.549 -5.278 24.142 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.456 -6.301 23.946 1.00 0.00 C ATOM 0 H PHE A 52 -6.703 -1.667 19.195 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.911 -2.377 21.674 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.236 -3.626 20.026 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.010 -2.855 21.013 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.699 -5.348 20.964 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.707 -3.483 23.355 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.937 -7.124 22.644 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.943 -5.258 25.036 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.561 -7.080 24.686 1.00 0.00 H new ATOM 815 N PHE A 53 -5.715 0.006 21.689 1.00 0.00 N ATOM 816 CA PHE A 53 -5.062 1.014 22.516 1.00 0.00 C ATOM 817 C PHE A 53 -5.804 2.345 22.437 1.00 0.00 C ATOM 818 O PHE A 53 -5.236 3.401 22.716 1.00 0.00 O ATOM 819 CB PHE A 53 -3.608 1.201 22.077 1.00 0.00 C ATOM 820 CG PHE A 53 -2.859 -0.092 21.921 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.937 -0.815 20.742 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.075 -0.582 22.953 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.249 -2.005 20.597 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.384 -1.771 22.813 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.471 -2.483 21.633 1.00 0.00 C ATOM 0 H PHE A 53 -5.650 0.177 20.685 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.080 0.668 23.549 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.589 1.739 21.129 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.093 1.824 22.808 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.542 -0.445 19.927 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.003 -0.029 23.878 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.320 -2.561 19.674 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.777 -2.143 23.625 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.932 -3.412 21.521 1.00 0.00 H new ATOM 835 N GLN A 54 -7.075 2.286 22.054 1.00 0.00 N ATOM 836 CA GLN A 54 -7.894 3.486 21.936 1.00 0.00 C ATOM 837 C GLN A 54 -8.167 4.095 23.308 1.00 0.00 C ATOM 838 O GLN A 54 -8.406 5.296 23.428 1.00 0.00 O ATOM 839 CB GLN A 54 -9.215 3.162 21.237 1.00 0.00 C ATOM 840 CG GLN A 54 -10.190 2.385 22.108 1.00 0.00 C ATOM 841 CD GLN A 54 -11.518 2.139 21.421 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.911 2.881 20.520 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.219 1.093 21.843 1.00 0.00 N ATOM 0 H GLN A 54 -7.560 1.420 21.820 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.344 4.213 21.338 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.686 4.092 20.920 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.008 2.586 20.335 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.744 1.429 22.382 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.361 2.934 23.034 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.856 0.504 22.593 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.121 0.878 21.417 1.00 0.00 H new ATOM 852 N ASN A 55 -8.131 3.258 24.339 1.00 0.00 N ATOM 853 CA ASN A 55 -8.375 3.714 25.703 1.00 0.00 C ATOM 854 C ASN A 55 -7.385 3.080 26.675 1.00 0.00 C ATOM 855 O ASN A 55 -7.745 2.712 27.792 1.00 0.00 O ATOM 856 CB ASN A 55 -9.807 3.379 26.126 1.00 0.00 C ATOM 857 CG ASN A 55 -10.303 4.273 27.246 1.00 0.00 C ATOM 858 OD1 ASN A 55 -9.757 4.265 28.349 1.00 0.00 O ATOM 859 ND2 ASN A 55 -11.344 5.048 26.967 1.00 0.00 N ATOM 0 H ASN A 55 -7.935 2.260 24.256 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.239 4.795 25.727 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.469 3.477 25.266 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.854 2.339 26.447 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.723 5.670 27.681 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.765 5.022 26.038 1.00 0.00 H new ATOM 866 N MET A 56 -6.135 2.955 26.240 1.00 0.00 N ATOM 867 CA MET A 56 -5.092 2.367 27.072 1.00 0.00 C ATOM 868 C MET A 56 -4.138 3.440 27.588 1.00 0.00 C ATOM 869 O MET A 56 -3.232 3.873 26.875 1.00 0.00 O ATOM 870 CB MET A 56 -4.313 1.313 26.282 1.00 0.00 C ATOM 871 CG MET A 56 -3.145 0.718 27.051 1.00 0.00 C ATOM 872 SD MET A 56 -3.332 -1.053 27.337 1.00 0.00 S ATOM 873 CE MET A 56 -3.413 -1.661 25.654 1.00 0.00 C ATOM 0 H MET A 56 -5.820 3.253 25.317 1.00 0.00 H new ATOM 0 HA MET A 56 -5.571 1.890 27.927 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.993 0.512 25.993 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.940 1.763 25.362 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.222 0.898 26.499 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.048 1.229 28.009 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.041 -2.551 25.619 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.838 -0.892 25.009 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.410 -1.911 25.309 1.00 0.00 H new ATOM 883 N ASP A 57 -4.349 3.865 28.829 1.00 0.00 N ATOM 884 CA ASP A 57 -3.507 4.887 29.440 1.00 0.00 C ATOM 885 C ASP A 57 -2.050 4.437 29.485 1.00 0.00 C ATOM 886 O ASP A 57 -1.762 3.244 29.571 1.00 0.00 O ATOM 887 CB ASP A 57 -3.999 5.206 30.852 1.00 0.00 C ATOM 888 CG ASP A 57 -4.370 3.959 31.631 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.624 2.961 31.544 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.405 3.982 32.328 1.00 0.00 O ATOM 0 H ASP A 57 -5.095 3.518 29.431 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.571 5.787 28.829 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.222 5.750 31.390 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.865 5.865 30.792 1.00 0.00 H new ATOM 895 N GLY A 58 -1.136 5.400 29.424 1.00 0.00 N ATOM 896 CA GLY A 58 0.280 5.082 29.458 1.00 0.00 C ATOM 897 C GLY A 58 0.613 4.032 30.500 1.00 0.00 C ATOM 898 O GLY A 58 1.476 3.181 30.282 1.00 0.00 O ATOM 0 H GLY A 58 -1.350 6.395 29.352 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.593 4.727 28.476 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.848 5.989 29.666 1.00 0.00 H new ATOM 902 N LYS A 59 -0.070 4.092 31.638 1.00 0.00 N ATOM 903 CA LYS A 59 0.157 3.140 32.719 1.00 0.00 C ATOM 904 C LYS A 59 -0.132 1.715 32.258 1.00 0.00 C ATOM 905 O LYS A 59 0.675 0.810 32.468 1.00 0.00 O ATOM 906 CB LYS A 59 -0.720 3.486 33.924 1.00 0.00 C ATOM 907 CG LYS A 59 -0.438 4.859 34.508 1.00 0.00 C ATOM 908 CD LYS A 59 0.514 4.778 35.690 1.00 0.00 C ATOM 909 CE LYS A 59 1.885 4.272 35.268 1.00 0.00 C ATOM 910 NZ LYS A 59 1.988 2.791 35.380 1.00 0.00 N ATOM 0 H LYS A 59 -0.786 4.791 31.836 1.00 0.00 H new ATOM 0 HA LYS A 59 1.205 3.203 33.011 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.767 3.435 33.627 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.572 2.734 34.699 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.010 5.502 33.739 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.374 5.320 34.824 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.613 5.763 36.147 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.098 4.115 36.449 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.082 4.573 34.239 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.651 4.737 35.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.772 2.545 36.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.099 2.409 35.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.166 2.383 34.440 1.00 0.00 H new ATOM 924 N GLU A 60 -1.287 1.524 31.629 1.00 0.00 N ATOM 925 CA GLU A 60 -1.681 0.208 31.139 1.00 0.00 C ATOM 926 C GLU A 60 -0.872 -0.177 29.904 1.00 0.00 C ATOM 927 O GLU A 60 -0.907 -1.325 29.458 1.00 0.00 O ATOM 928 CB GLU A 60 -3.175 0.188 30.810 1.00 0.00 C ATOM 929 CG GLU A 60 -4.068 0.143 32.038 1.00 0.00 C ATOM 930 CD GLU A 60 -4.485 -1.269 32.405 1.00 0.00 C ATOM 931 OE1 GLU A 60 -4.810 -2.049 31.486 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.486 -1.592 33.611 1.00 0.00 O ATOM 0 H GLU A 60 -1.966 2.263 31.447 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.480 -0.519 31.925 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.421 1.074 30.224 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.389 -0.678 30.184 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.544 0.594 32.881 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.958 0.745 31.858 1.00 0.00 H new ATOM 939 N LEU A 61 -0.144 0.790 29.356 1.00 0.00 N ATOM 940 CA LEU A 61 0.674 0.554 28.172 1.00 0.00 C ATOM 941 C LEU A 61 2.062 0.053 28.560 1.00 0.00 C ATOM 942 O LEU A 61 2.706 -0.672 27.800 1.00 0.00 O ATOM 943 CB LEU A 61 0.795 1.836 27.347 1.00 0.00 C ATOM 944 CG LEU A 61 1.622 1.735 26.065 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.942 0.816 25.062 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.843 3.114 25.462 1.00 0.00 C ATOM 0 H LEU A 61 -0.104 1.745 29.713 1.00 0.00 H new ATOM 0 HA LEU A 61 0.186 -0.213 27.571 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.208 2.170 27.083 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.233 2.610 27.978 1.00 0.00 H new ATOM 0 HG LEU A 61 2.594 1.310 26.316 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.545 0.756 24.156 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.836 -0.179 25.494 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.044 1.211 24.816 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.433 3.022 24.550 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.880 3.567 25.226 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.374 3.743 26.177 1.00 0.00 H new ATOM 958 N CYS A 62 2.515 0.441 29.746 1.00 0.00 N ATOM 959 CA CYS A 62 3.826 0.030 30.236 1.00 0.00 C ATOM 960 C CYS A 62 3.742 -1.315 30.952 1.00 0.00 C ATOM 961 O CYS A 62 4.757 -1.971 31.185 1.00 0.00 O ATOM 962 CB CYS A 62 4.395 1.089 31.181 1.00 0.00 C ATOM 963 SG CYS A 62 4.533 2.736 30.447 1.00 0.00 S ATOM 0 H CYS A 62 1.994 1.040 30.387 1.00 0.00 H new ATOM 0 HA CYS A 62 4.490 -0.076 29.378 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.761 1.149 32.066 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.381 0.769 31.517 1.00 0.00 H new ATOM 0 HG CYS A 62 3.345 3.229 30.261 1.00 0.00 H new ATOM 969 N LYS A 63 2.525 -1.719 31.299 1.00 0.00 N ATOM 970 CA LYS A 63 2.307 -2.985 31.988 1.00 0.00 C ATOM 971 C LYS A 63 2.096 -4.119 30.990 1.00 0.00 C ATOM 972 O LYS A 63 2.429 -5.271 31.266 1.00 0.00 O ATOM 973 CB LYS A 63 1.097 -2.880 32.920 1.00 0.00 C ATOM 974 CG LYS A 63 -0.236 -2.908 32.191 1.00 0.00 C ATOM 975 CD LYS A 63 -1.403 -2.851 33.162 1.00 0.00 C ATOM 976 CE LYS A 63 -1.870 -4.244 33.556 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.342 -4.294 33.776 1.00 0.00 N ATOM 0 H LYS A 63 1.674 -1.188 31.114 1.00 0.00 H new ATOM 0 HA LYS A 63 3.196 -3.206 32.579 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.128 -3.702 33.636 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.169 -1.955 33.493 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.293 -2.065 31.502 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.305 -3.815 31.591 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.108 -2.299 34.055 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.229 -2.304 32.708 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.595 -4.953 32.775 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.356 -4.556 34.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.540 -4.718 34.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.731 -3.330 33.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.785 -4.870 33.032 1.00 0.00 H new ATOM 991 N MET A 64 1.544 -3.784 29.829 1.00 0.00 N ATOM 992 CA MET A 64 1.292 -4.774 28.789 1.00 0.00 C ATOM 993 C MET A 64 2.553 -5.577 28.486 1.00 0.00 C ATOM 994 O MET A 64 3.668 -5.073 28.618 1.00 0.00 O ATOM 995 CB MET A 64 0.790 -4.092 27.515 1.00 0.00 C ATOM 996 CG MET A 64 -0.626 -3.553 27.632 1.00 0.00 C ATOM 997 SD MET A 64 -1.809 -4.489 26.643 1.00 0.00 S ATOM 998 CE MET A 64 -1.095 -4.319 25.010 1.00 0.00 C ATOM 0 H MET A 64 1.263 -2.835 29.585 1.00 0.00 H new ATOM 0 HA MET A 64 0.525 -5.458 29.152 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.462 -3.272 27.263 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.832 -4.804 26.691 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.934 -3.575 28.677 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.641 -2.509 27.318 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.892 -4.254 24.269 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.489 -3.414 24.970 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.469 -5.185 24.795 1.00 0.00 H new ATOM 1008 N ASN A 65 2.369 -6.829 28.079 1.00 0.00 N ATOM 1009 CA ASN A 65 3.493 -7.702 27.759 1.00 0.00 C ATOM 1010 C ASN A 65 3.411 -8.187 26.315 1.00 0.00 C ATOM 1011 O ASN A 65 2.470 -7.860 25.591 1.00 0.00 O ATOM 1012 CB ASN A 65 3.523 -8.900 28.710 1.00 0.00 C ATOM 1013 CG ASN A 65 2.137 -9.303 29.176 1.00 0.00 C ATOM 1014 OD1 ASN A 65 1.405 -9.989 28.463 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.770 -8.876 30.379 1.00 0.00 N ATOM 0 H ASN A 65 1.453 -7.262 27.963 1.00 0.00 H new ATOM 0 HA ASN A 65 4.412 -7.128 27.880 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.995 -9.746 28.210 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.138 -8.657 29.576 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.849 -9.115 30.746 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.409 -8.309 30.936 1.00 0.00 H new ATOM 1022 N LYS A 66 4.403 -8.969 25.902 1.00 0.00 N ATOM 1023 CA LYS A 66 4.443 -9.501 24.545 1.00 0.00 C ATOM 1024 C LYS A 66 3.128 -10.187 24.190 1.00 0.00 C ATOM 1025 O LYS A 66 2.657 -10.096 23.057 1.00 0.00 O ATOM 1026 CB LYS A 66 5.602 -10.490 24.398 1.00 0.00 C ATOM 1027 CG LYS A 66 5.909 -10.857 22.956 1.00 0.00 C ATOM 1028 CD LYS A 66 7.284 -10.366 22.537 1.00 0.00 C ATOM 1029 CE LYS A 66 7.622 -10.798 21.118 1.00 0.00 C ATOM 1030 NZ LYS A 66 9.017 -11.309 21.011 1.00 0.00 N ATOM 0 H LYS A 66 5.190 -9.248 26.488 1.00 0.00 H new ATOM 0 HA LYS A 66 4.594 -8.668 23.859 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.495 -10.061 24.853 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.366 -11.398 24.953 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.856 -11.939 22.836 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.152 -10.426 22.301 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.320 -9.279 22.606 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.035 -10.754 23.225 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.926 -11.574 20.799 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.491 -9.954 20.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.295 -11.353 20.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.661 -10.671 21.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.071 -12.261 21.427 1.00 0.00 H new ATOM 1044 N GLU A 67 2.539 -10.871 25.167 1.00 0.00 N ATOM 1045 CA GLU A 67 1.278 -11.570 24.956 1.00 0.00 C ATOM 1046 C GLU A 67 0.135 -10.581 24.749 1.00 0.00 C ATOM 1047 O GLU A 67 -0.528 -10.589 23.711 1.00 0.00 O ATOM 1048 CB GLU A 67 0.969 -12.482 26.146 1.00 0.00 C ATOM 1049 CG GLU A 67 1.611 -13.855 26.044 1.00 0.00 C ATOM 1050 CD GLU A 67 0.654 -14.910 25.525 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.111 -14.606 24.585 1.00 0.00 O ATOM 1052 OE2 GLU A 67 0.668 -16.039 26.059 1.00 0.00 O ATOM 0 H GLU A 67 2.915 -10.955 26.111 1.00 0.00 H new ATOM 0 HA GLU A 67 1.376 -12.178 24.057 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.309 -11.998 27.062 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.111 -12.601 26.231 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.477 -13.799 25.384 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.978 -14.154 27.026 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.091 -9.730 25.744 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.153 -8.734 25.672 1.00 0.00 C ATOM 1061 C ASP A 68 -1.008 -7.875 24.420 1.00 0.00 C ATOM 1062 O ASP A 68 -1.993 -7.357 23.892 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.135 -7.847 26.918 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.042 -8.652 28.200 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.414 -9.844 28.180 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.597 -8.090 29.223 1.00 0.00 O ATOM 0 H ASP A 68 0.447 -9.710 26.610 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.107 -9.259 25.623 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.289 -7.162 26.860 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.038 -7.237 26.940 1.00 0.00 H new ATOM 1071 N PHE A 69 0.226 -7.727 23.949 1.00 0.00 N ATOM 1072 CA PHE A 69 0.500 -6.928 22.760 1.00 0.00 C ATOM 1073 C PHE A 69 0.281 -7.749 21.492 1.00 0.00 C ATOM 1074 O PHE A 69 -0.116 -7.216 20.455 1.00 0.00 O ATOM 1075 CB PHE A 69 1.934 -6.397 22.796 1.00 0.00 C ATOM 1076 CG PHE A 69 2.036 -4.979 23.281 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.604 -3.929 22.486 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.563 -4.696 24.531 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.698 -2.623 22.930 1.00 0.00 C ATOM 1080 CE2 PHE A 69 2.658 -3.392 24.980 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.224 -2.355 24.178 1.00 0.00 C ATOM 0 H PHE A 69 1.052 -8.150 24.372 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.192 -6.085 22.751 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.534 -7.038 23.442 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.362 -6.462 21.796 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.190 -4.133 21.510 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.904 -5.504 25.162 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.360 -1.813 22.301 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.071 -3.185 25.956 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.296 -1.335 24.527 1.00 0.00 H new ATOM 1091 N LEU A 70 0.544 -9.048 21.583 1.00 0.00 N ATOM 1092 CA LEU A 70 0.377 -9.944 20.444 1.00 0.00 C ATOM 1093 C LEU A 70 -1.099 -10.122 20.103 1.00 0.00 C ATOM 1094 O LEU A 70 -1.445 -10.544 18.999 1.00 0.00 O ATOM 1095 CB LEU A 70 1.011 -11.303 20.741 1.00 0.00 C ATOM 1096 CG LEU A 70 2.442 -11.500 20.241 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.994 -12.837 20.713 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.494 -11.407 18.723 1.00 0.00 C ATOM 0 H LEU A 70 0.874 -9.504 22.434 1.00 0.00 H new ATOM 0 HA LEU A 70 0.878 -9.497 19.585 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.000 -11.459 21.820 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.384 -12.078 20.301 1.00 0.00 H new ATOM 0 HG LEU A 70 3.063 -10.706 20.656 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.013 -12.959 20.347 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.993 -12.867 21.803 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.371 -13.644 20.328 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.520 -11.550 18.385 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.858 -12.179 18.289 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.141 -10.426 18.406 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.965 -9.796 21.057 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.404 -9.919 20.858 1.00 0.00 C ATOM 1112 C ARG A 71 -3.959 -8.697 20.132 1.00 0.00 C ATOM 1113 O ARG A 71 -5.164 -8.593 19.902 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.114 -10.093 22.202 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.678 -11.335 22.964 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.724 -11.757 23.985 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.613 -13.171 24.329 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.106 -14.151 23.579 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -5.741 -13.870 22.449 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -4.965 -15.414 23.959 1.00 0.00 N ATOM 0 H ARG A 71 -1.695 -9.445 21.976 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.586 -10.800 20.242 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.927 -9.214 22.819 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.190 -10.140 22.032 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.502 -12.151 22.263 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.732 -11.140 23.469 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.614 -11.155 24.887 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.719 -11.558 23.588 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.131 -13.421 25.192 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.852 -12.900 22.154 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.118 -14.624 21.875 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.478 -15.634 24.828 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.344 -16.165 23.383 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.072 -7.774 19.775 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.473 -6.560 19.075 1.00 0.00 C ATOM 1136 C ALA A 72 -2.568 -6.293 17.877 1.00 0.00 C ATOM 1137 O ALA A 72 -3.030 -5.864 16.819 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.457 -5.372 20.026 1.00 0.00 C ATOM 0 H ALA A 72 -2.071 -7.844 19.959 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.489 -6.702 18.706 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.759 -4.472 19.489 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.150 -5.554 20.847 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.451 -5.237 20.423 1.00 0.00 H new ATOM 1144 N THR A 73 -1.275 -6.549 18.049 1.00 0.00 N ATOM 1145 CA THR A 73 -0.305 -6.335 16.983 1.00 0.00 C ATOM 1146 C THR A 73 0.482 -7.608 16.691 1.00 0.00 C ATOM 1147 O THR A 73 0.603 -8.485 17.547 1.00 0.00 O ATOM 1148 CB THR A 73 0.681 -5.206 17.338 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.377 -4.775 16.164 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.682 -5.671 18.385 1.00 0.00 C ATOM 0 H THR A 73 -0.875 -6.905 18.917 1.00 0.00 H new ATOM 0 HA THR A 73 -0.870 -6.049 16.096 1.00 0.00 H new ATOM 0 HB THR A 73 0.111 -4.372 17.748 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.729 -4.535 15.469 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.368 -4.857 18.620 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.151 -5.970 19.289 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.246 -6.520 17.998 1.00 0.00 H new ATOM 1158 N THR A 74 1.016 -7.703 15.478 1.00 0.00 N ATOM 1159 CA THR A 74 1.791 -8.869 15.073 1.00 0.00 C ATOM 1160 C THR A 74 3.045 -9.020 15.928 1.00 0.00 C ATOM 1161 O THR A 74 3.438 -8.095 16.640 1.00 0.00 O ATOM 1162 CB THR A 74 2.202 -8.784 13.591 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.933 -9.957 13.217 1.00 0.00 O ATOM 1164 CG2 THR A 74 3.051 -7.548 13.335 1.00 0.00 C ATOM 0 H THR A 74 0.926 -6.986 14.758 1.00 0.00 H new ATOM 0 HA THR A 74 1.150 -9.739 15.215 1.00 0.00 H new ATOM 0 HB THR A 74 1.296 -8.714 12.989 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.189 -9.896 12.273 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.329 -7.509 12.282 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.481 -6.655 13.593 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.952 -7.592 13.947 1.00 0.00 H new ATOM 1172 N LEU A 75 3.669 -10.190 15.853 1.00 0.00 N ATOM 1173 CA LEU A 75 4.879 -10.462 16.621 1.00 0.00 C ATOM 1174 C LEU A 75 5.971 -9.448 16.293 1.00 0.00 C ATOM 1175 O LEU A 75 6.542 -8.825 17.188 1.00 0.00 O ATOM 1176 CB LEU A 75 5.381 -11.878 16.334 1.00 0.00 C ATOM 1177 CG LEU A 75 6.824 -12.175 16.744 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.983 -12.070 18.253 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.244 -13.554 16.256 1.00 0.00 C ATOM 0 H LEU A 75 3.357 -10.966 15.268 1.00 0.00 H new ATOM 0 HA LEU A 75 4.635 -10.377 17.680 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.727 -12.584 16.845 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.282 -12.067 15.265 1.00 0.00 H new ATOM 0 HG LEU A 75 7.473 -11.434 16.279 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.016 -12.285 18.526 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.724 -11.062 18.577 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.323 -12.788 18.739 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.274 -13.748 16.557 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.590 -14.309 16.692 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.170 -13.594 15.169 1.00 0.00 H new ATOM 1191 N TYR A 76 6.253 -9.286 15.005 1.00 0.00 N ATOM 1192 CA TYR A 76 7.276 -8.347 14.559 1.00 0.00 C ATOM 1193 C TYR A 76 7.080 -6.980 15.207 1.00 0.00 C ATOM 1194 O TYR A 76 8.006 -6.420 15.792 1.00 0.00 O ATOM 1195 CB TYR A 76 7.245 -8.212 13.036 1.00 0.00 C ATOM 1196 CG TYR A 76 8.318 -7.300 12.487 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.185 -5.919 12.555 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.465 -7.820 11.899 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.163 -5.082 12.054 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.449 -6.990 11.397 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.293 -5.622 11.476 1.00 0.00 C ATOM 1202 OH TYR A 76 11.270 -4.792 10.976 1.00 0.00 O ATOM 0 H TYR A 76 5.788 -9.792 14.252 1.00 0.00 H new ATOM 0 HA TYR A 76 8.248 -8.736 14.862 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.357 -9.200 12.590 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.269 -7.834 12.733 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.302 -5.492 13.007 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.589 -8.891 11.833 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.044 -4.010 12.115 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.335 -7.410 10.945 1.00 0.00 H new ATOM 0 HH TYR A 76 11.999 -5.331 10.605 1.00 0.00 H new ATOM 1212 N ASN A 77 5.867 -6.449 15.096 1.00 0.00 N ATOM 1213 CA ASN A 77 5.547 -5.147 15.671 1.00 0.00 C ATOM 1214 C ASN A 77 5.667 -5.179 17.191 1.00 0.00 C ATOM 1215 O ASN A 77 6.100 -4.208 17.813 1.00 0.00 O ATOM 1216 CB ASN A 77 4.134 -4.721 15.268 1.00 0.00 C ATOM 1217 CG ASN A 77 4.010 -4.466 13.778 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.007 -4.428 13.058 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.780 -4.291 13.309 1.00 0.00 N ATOM 0 H ASN A 77 5.090 -6.900 14.613 1.00 0.00 H new ATOM 0 HA ASN A 77 6.262 -4.421 15.283 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.426 -5.496 15.561 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.861 -3.817 15.813 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.633 -4.117 12.315 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.982 -4.331 13.943 1.00 0.00 H new ATOM 1226 N THR A 78 5.280 -6.303 17.787 1.00 0.00 N ATOM 1227 CA THR A 78 5.343 -6.462 19.234 1.00 0.00 C ATOM 1228 C THR A 78 6.764 -6.266 19.747 1.00 0.00 C ATOM 1229 O THR A 78 6.977 -5.644 20.787 1.00 0.00 O ATOM 1230 CB THR A 78 4.839 -7.852 19.668 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.479 -8.030 19.259 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.947 -8.019 21.176 1.00 0.00 C ATOM 0 H THR A 78 4.919 -7.117 17.289 1.00 0.00 H new ATOM 0 HA THR A 78 4.696 -5.698 19.665 1.00 0.00 H new ATOM 0 HB THR A 78 5.463 -8.607 19.189 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.456 -8.371 18.340 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.586 -9.008 21.459 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.988 -7.912 21.480 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.345 -7.257 21.671 1.00 0.00 H new ATOM 1240 N GLU A 79 7.734 -6.800 19.011 1.00 0.00 N ATOM 1241 CA GLU A 79 9.136 -6.682 19.394 1.00 0.00 C ATOM 1242 C GLU A 79 9.597 -5.229 19.329 1.00 0.00 C ATOM 1243 O GLU A 79 10.377 -4.775 20.167 1.00 0.00 O ATOM 1244 CB GLU A 79 10.010 -7.547 18.484 1.00 0.00 C ATOM 1245 CG GLU A 79 9.904 -9.035 18.774 1.00 0.00 C ATOM 1246 CD GLU A 79 11.231 -9.755 18.623 1.00 0.00 C ATOM 1247 OE1 GLU A 79 11.933 -9.502 17.622 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.566 -10.571 19.506 1.00 0.00 O ATOM 0 H GLU A 79 7.575 -7.318 18.147 1.00 0.00 H new ATOM 0 HA GLU A 79 9.236 -7.031 20.422 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.729 -7.367 17.446 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.050 -7.238 18.591 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.531 -9.178 19.788 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.174 -9.482 18.099 1.00 0.00 H new ATOM 1255 N VAL A 80 9.111 -4.504 18.327 1.00 0.00 N ATOM 1256 CA VAL A 80 9.472 -3.102 18.152 1.00 0.00 C ATOM 1257 C VAL A 80 8.930 -2.248 19.293 1.00 0.00 C ATOM 1258 O VAL A 80 9.681 -1.535 19.960 1.00 0.00 O ATOM 1259 CB VAL A 80 8.943 -2.549 16.816 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.262 -1.067 16.687 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.525 -3.331 15.648 1.00 0.00 C ATOM 0 H VAL A 80 8.466 -4.864 17.624 1.00 0.00 H new ATOM 0 HA VAL A 80 10.561 -3.053 18.151 1.00 0.00 H new ATOM 0 HB VAL A 80 7.859 -2.666 16.798 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.880 -0.694 15.737 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.793 -0.521 17.506 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.342 -0.922 16.726 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.140 -2.927 14.712 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.612 -3.248 15.660 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.240 -4.380 15.734 1.00 0.00 H new ATOM 1271 N LEU A 81 7.622 -2.326 19.513 1.00 0.00 N ATOM 1272 CA LEU A 81 6.978 -1.561 20.575 1.00 0.00 C ATOM 1273 C LEU A 81 7.613 -1.865 21.928 1.00 0.00 C ATOM 1274 O LEU A 81 8.065 -0.961 22.632 1.00 0.00 O ATOM 1275 CB LEU A 81 5.481 -1.872 20.619 1.00 0.00 C ATOM 1276 CG LEU A 81 4.691 -1.552 19.350 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.213 -1.844 19.554 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.899 -0.101 18.944 1.00 0.00 C ATOM 0 H LEU A 81 6.987 -2.911 18.970 1.00 0.00 H new ATOM 0 HA LEU A 81 7.116 -0.501 20.360 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.357 -2.932 20.843 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.039 -1.318 21.447 1.00 0.00 H new ATOM 0 HG LEU A 81 5.058 -2.189 18.546 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.666 -1.610 18.640 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.081 -2.898 19.796 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.831 -1.233 20.372 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.329 0.109 18.039 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.559 0.554 19.747 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.958 0.076 18.755 1.00 0.00 H new ATOM 1290 N LEU A 82 7.647 -3.144 22.285 1.00 0.00 N ATOM 1291 CA LEU A 82 8.229 -3.570 23.553 1.00 0.00 C ATOM 1292 C LEU A 82 9.657 -3.054 23.697 1.00 0.00 C ATOM 1293 O LEU A 82 10.027 -2.501 24.733 1.00 0.00 O ATOM 1294 CB LEU A 82 8.213 -5.096 23.658 1.00 0.00 C ATOM 1295 CG LEU A 82 6.978 -5.710 24.317 1.00 0.00 C ATOM 1296 CD1 LEU A 82 6.973 -5.427 25.811 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.707 -5.180 23.668 1.00 0.00 C ATOM 0 H LEU A 82 7.278 -3.905 21.714 1.00 0.00 H new ATOM 0 HA LEU A 82 7.627 -3.151 24.359 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.308 -5.510 22.654 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.094 -5.411 24.218 1.00 0.00 H new ATOM 0 HG LEU A 82 7.013 -6.790 24.173 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.086 -5.872 26.263 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.866 -5.856 26.266 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.963 -4.350 25.977 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.838 -5.628 24.150 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.666 -4.097 23.780 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.706 -5.435 22.608 1.00 0.00 H new ATOM 1309 N SER A 83 10.455 -3.236 22.650 1.00 0.00 N ATOM 1310 CA SER A 83 11.843 -2.790 22.660 1.00 0.00 C ATOM 1311 C SER A 83 11.927 -1.277 22.842 1.00 0.00 C ATOM 1312 O SER A 83 12.722 -0.779 23.639 1.00 0.00 O ATOM 1313 CB SER A 83 12.542 -3.198 21.361 1.00 0.00 C ATOM 1314 OG SER A 83 13.807 -2.571 21.244 1.00 0.00 O ATOM 0 H SER A 83 10.164 -3.689 21.784 1.00 0.00 H new ATOM 0 HA SER A 83 12.346 -3.268 23.501 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.666 -4.281 21.335 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.919 -2.928 20.509 1.00 0.00 H new ATOM 0 HG SER A 83 14.234 -2.849 20.407 1.00 0.00 H new ATOM 1320 N HIS A 84 11.100 -0.551 22.096 1.00 0.00 N ATOM 1321 CA HIS A 84 11.079 0.905 22.175 1.00 0.00 C ATOM 1322 C HIS A 84 10.690 1.368 23.576 1.00 0.00 C ATOM 1323 O HIS A 84 11.429 2.112 24.222 1.00 0.00 O ATOM 1324 CB HIS A 84 10.103 1.478 21.147 1.00 0.00 C ATOM 1325 CG HIS A 84 10.304 2.938 20.878 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.183 3.576 20.071 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.549 3.924 21.478 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 10.944 4.923 20.194 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.954 5.106 21.049 1.00 0.00 N flip ATOM 0 H HIS A 84 10.436 -0.947 21.431 1.00 0.00 H new ATOM 0 HA HIS A 84 12.082 1.271 21.956 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.208 0.927 20.212 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.083 1.319 21.498 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.752 3.756 22.187 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.479 5.705 19.676 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.568 6.007 21.330 1.00 0.00 H new ATOM 1337 N LEU A 85 9.527 0.925 24.039 1.00 0.00 N ATOM 1338 CA LEU A 85 9.039 1.294 25.363 1.00 0.00 C ATOM 1339 C LEU A 85 10.022 0.859 26.446 1.00 0.00 C ATOM 1340 O LEU A 85 10.192 1.543 27.455 1.00 0.00 O ATOM 1341 CB LEU A 85 7.669 0.663 25.618 1.00 0.00 C ATOM 1342 CG LEU A 85 6.590 1.600 26.162 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.575 1.930 25.078 1.00 0.00 C ATOM 1344 CD2 LEU A 85 5.902 0.978 27.368 1.00 0.00 C ATOM 0 H LEU A 85 8.904 0.309 23.517 1.00 0.00 H new ATOM 0 HA LEU A 85 8.944 2.379 25.399 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.310 0.232 24.683 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.795 -0.160 26.321 1.00 0.00 H new ATOM 0 HG LEU A 85 7.067 2.527 26.480 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.815 2.598 25.483 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.079 2.418 24.244 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.103 1.011 24.730 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.137 1.659 27.742 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.438 0.036 27.076 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.637 0.793 28.151 1.00 0.00 H new ATOM 1356 N SER A 86 10.667 -0.283 26.228 1.00 0.00 N ATOM 1357 CA SER A 86 11.632 -0.810 27.186 1.00 0.00 C ATOM 1358 C SER A 86 12.669 0.247 27.551 1.00 0.00 C ATOM 1359 O SER A 86 13.190 0.263 28.666 1.00 0.00 O ATOM 1360 CB SER A 86 12.327 -2.047 26.613 1.00 0.00 C ATOM 1361 OG SER A 86 13.263 -2.578 27.535 1.00 0.00 O ATOM 0 H SER A 86 10.539 -0.860 25.397 1.00 0.00 H new ATOM 0 HA SER A 86 11.092 -1.091 28.090 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.583 -2.805 26.367 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.834 -1.786 25.684 1.00 0.00 H new ATOM 0 HG SER A 86 13.693 -3.368 27.146 1.00 0.00 H new ATOM 1367 N TYR A 87 12.963 1.130 26.603 1.00 0.00 N ATOM 1368 CA TYR A 87 13.940 2.190 26.822 1.00 0.00 C ATOM 1369 C TYR A 87 13.286 3.408 27.468 1.00 0.00 C ATOM 1370 O TYR A 87 13.731 3.885 28.512 1.00 0.00 O ATOM 1371 CB TYR A 87 14.595 2.590 25.499 1.00 0.00 C ATOM 1372 CG TYR A 87 15.477 3.814 25.606 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.705 3.754 26.253 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.082 5.029 25.060 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.514 4.870 26.354 1.00 0.00 C ATOM 1376 CE2 TYR A 87 15.885 6.149 25.155 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.100 6.064 25.803 1.00 0.00 C ATOM 1378 OH TYR A 87 17.902 7.178 25.900 1.00 0.00 O ATOM 0 H TYR A 87 12.539 1.133 25.675 1.00 0.00 H new ATOM 0 HA TYR A 87 14.706 1.810 27.498 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.190 1.755 25.131 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.816 2.777 24.760 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.033 2.820 26.684 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.131 5.099 24.553 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.465 4.807 26.862 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.564 7.086 24.724 1.00 0.00 H new ATOM 0 HH TYR A 87 17.464 7.936 25.459 1.00 0.00 H new ATOM 1388 N LEU A 88 12.227 3.906 26.839 1.00 0.00 N ATOM 1389 CA LEU A 88 11.509 5.068 27.351 1.00 0.00 C ATOM 1390 C LEU A 88 11.076 4.847 28.796 1.00 0.00 C ATOM 1391 O LEU A 88 10.927 5.799 29.562 1.00 0.00 O ATOM 1392 CB LEU A 88 10.287 5.361 26.479 1.00 0.00 C ATOM 1393 CG LEU A 88 10.565 6.050 25.143 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.188 5.073 24.158 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.285 6.642 24.571 1.00 0.00 C ATOM 0 H LEU A 88 11.847 3.523 25.974 1.00 0.00 H new ATOM 0 HA LEU A 88 12.183 5.924 27.321 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.774 4.420 26.280 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.599 5.984 27.050 1.00 0.00 H new ATOM 0 HG LEU A 88 11.272 6.862 25.315 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.379 5.581 23.213 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.127 4.697 24.564 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.505 4.240 23.991 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.502 7.128 23.620 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.555 5.848 24.414 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.879 7.375 25.269 1.00 0.00 H new