USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 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 56 MET CE :methyl -152:sc= -2.95 (180deg=-5.61!) USER MOD Set 1.2: A 64 MET CE :methyl -143:sc= -0.601 (180deg=-2.83) USER MOD Set 2.1: A 43 TYR OH : rot 130:sc= -0.467 USER MOD Set 2.2: A 84 HIS : no HD1:sc= -1.29 K(o=-1.8,f=0.31) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 29 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.84) USER MOD Single : A 31 HIS : no HD1:sc= -2.27! X(o=-2.3!,f=-2.4) USER MOD Single : A 34 GLN : amide:sc= -0.154 X(o=-0.15,f=0) 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 -67:sc= 0.229 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 55 ASN : amide:sc= -0.0195 K(o=-0.019,f=-3.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 72:sc= -2.72 USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= 0.246 (180deg=0.00376) USER MOD Single : A 65 ASN : amide:sc= -0.0837 K(o=-0.084,f=-0.73) USER MOD Single : A 66 LYS NZ :NH3+ -151:sc= -0.129 (180deg=-1.3!) USER MOD Single : A 73 THR OG1 : rot 50:sc= -2.33 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0993 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -4.34! C(o=-4.3!,f=-6.7!) USER MOD Single : A 78 THR OG1 : rot 86:sc= -0.0106 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 5.654 13.966 23.102 1.00 0.00 N ATOM 266 CA VAL A 20 5.250 13.253 24.308 1.00 0.00 C ATOM 267 C VAL A 20 6.375 13.229 25.336 1.00 0.00 C ATOM 268 O VAL A 20 7.556 13.328 25.003 1.00 0.00 O ATOM 269 CB VAL A 20 4.829 11.806 23.990 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.474 11.783 23.300 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.884 11.121 23.134 1.00 0.00 C ATOM 0 HA VAL A 20 4.396 13.790 24.721 1.00 0.00 H new ATOM 0 HB VAL A 20 4.741 11.257 24.928 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.193 10.752 23.083 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.726 12.233 23.952 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.530 12.347 22.369 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.571 10.099 22.919 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.005 11.668 22.199 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.833 11.104 23.670 1.00 0.00 H new ATOM 281 N PRO A 21 6.003 13.095 26.618 1.00 0.00 N ATOM 282 CA PRO A 21 6.966 13.053 27.722 1.00 0.00 C ATOM 283 C PRO A 21 7.791 11.771 27.724 1.00 0.00 C ATOM 284 O PRO A 21 7.336 10.728 27.255 1.00 0.00 O ATOM 285 CB PRO A 21 6.080 13.122 28.968 1.00 0.00 C ATOM 286 CG PRO A 21 4.766 12.574 28.530 1.00 0.00 C ATOM 287 CD PRO A 21 4.613 12.971 27.088 1.00 0.00 C ATOM 0 HA PRO A 21 7.696 13.859 27.657 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.500 12.536 29.785 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.982 14.146 29.327 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.738 11.490 28.642 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.954 12.978 29.134 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.063 12.220 26.521 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.069 13.910 26.985 1.00 0.00 H new ATOM 295 N ALA A 22 9.006 11.855 28.256 1.00 0.00 N ATOM 296 CA ALA A 22 9.893 10.700 28.322 1.00 0.00 C ATOM 297 C ALA A 22 9.187 9.501 28.946 1.00 0.00 C ATOM 298 O ALA A 22 8.914 8.509 28.271 1.00 0.00 O ATOM 299 CB ALA A 22 11.149 11.043 29.108 1.00 0.00 C ATOM 0 H ALA A 22 9.399 12.711 28.648 1.00 0.00 H new ATOM 0 HA ALA A 22 10.177 10.432 27.304 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.802 10.171 29.149 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.671 11.865 28.619 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.875 11.339 30.121 1.00 0.00 H new ATOM 305 N ASP A 23 8.896 9.599 30.238 1.00 0.00 N ATOM 306 CA ASP A 23 8.222 8.522 30.954 1.00 0.00 C ATOM 307 C ASP A 23 6.954 8.092 30.221 1.00 0.00 C ATOM 308 O ASP A 23 5.959 8.815 30.176 1.00 0.00 O ATOM 309 CB ASP A 23 7.877 8.963 32.377 1.00 0.00 C ATOM 310 CG ASP A 23 8.698 8.236 33.424 1.00 0.00 C ATOM 311 OD1 ASP A 23 9.908 8.031 33.191 1.00 0.00 O ATOM 312 OD2 ASP A 23 8.131 7.870 34.475 1.00 0.00 O ATOM 0 H ASP A 23 9.116 10.413 30.811 1.00 0.00 H new ATOM 0 HA ASP A 23 8.901 7.671 31.000 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.042 10.036 32.471 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.818 8.785 32.562 1.00 0.00 H new ATOM 317 N PRO A 24 6.990 6.888 29.632 1.00 0.00 N ATOM 318 CA PRO A 24 5.853 6.335 28.890 1.00 0.00 C ATOM 319 C PRO A 24 4.691 5.962 29.804 1.00 0.00 C ATOM 320 O PRO A 24 3.579 5.709 29.339 1.00 0.00 O ATOM 321 CB PRO A 24 6.436 5.084 28.228 1.00 0.00 C ATOM 322 CG PRO A 24 7.577 4.690 29.101 1.00 0.00 C ATOM 323 CD PRO A 24 8.144 5.972 29.646 1.00 0.00 C ATOM 0 HA PRO A 24 5.439 7.054 28.183 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.694 4.288 28.163 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.769 5.293 27.211 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.244 4.037 29.907 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.329 4.140 28.535 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.540 5.840 30.653 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.961 6.345 29.028 1.00 0.00 H new ATOM 331 N THR A 25 4.954 5.931 31.106 1.00 0.00 N ATOM 332 CA THR A 25 3.930 5.588 32.085 1.00 0.00 C ATOM 333 C THR A 25 3.028 6.782 32.378 1.00 0.00 C ATOM 334 O THR A 25 1.905 6.621 32.857 1.00 0.00 O ATOM 335 CB THR A 25 4.556 5.097 33.404 1.00 0.00 C ATOM 336 OG1 THR A 25 5.824 5.729 33.610 1.00 0.00 O ATOM 337 CG2 THR A 25 4.733 3.586 33.389 1.00 0.00 C ATOM 0 H THR A 25 5.868 6.139 31.508 1.00 0.00 H new ATOM 0 HA THR A 25 3.335 4.784 31.652 1.00 0.00 H new ATOM 0 HB THR A 25 3.883 5.360 34.220 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.214 5.413 34.451 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.177 3.262 34.331 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.762 3.107 33.262 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.387 3.304 32.564 1.00 0.00 H new ATOM 345 N LEU A 26 3.526 7.979 32.087 1.00 0.00 N ATOM 346 CA LEU A 26 2.763 9.201 32.318 1.00 0.00 C ATOM 347 C LEU A 26 1.891 9.535 31.112 1.00 0.00 C ATOM 348 O LEU A 26 1.082 10.462 31.157 1.00 0.00 O ATOM 349 CB LEU A 26 3.709 10.366 32.616 1.00 0.00 C ATOM 350 CG LEU A 26 4.623 10.195 33.830 1.00 0.00 C ATOM 351 CD1 LEU A 26 5.631 11.331 33.904 1.00 0.00 C ATOM 352 CD2 LEU A 26 3.802 10.124 35.110 1.00 0.00 C ATOM 0 H LEU A 26 4.454 8.129 31.691 1.00 0.00 H new ATOM 0 HA LEU A 26 2.114 9.038 33.178 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.332 10.535 31.738 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.111 11.266 32.761 1.00 0.00 H new ATOM 0 HG LEU A 26 5.170 9.258 33.720 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.273 11.192 34.774 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.241 11.336 33.001 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.103 12.281 33.990 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.469 10.002 35.964 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.228 11.044 35.226 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.120 9.275 35.058 1.00 0.00 H new ATOM 364 N TRP A 27 2.059 8.773 30.038 1.00 0.00 N ATOM 365 CA TRP A 27 1.285 8.987 28.820 1.00 0.00 C ATOM 366 C TRP A 27 -0.209 8.868 29.097 1.00 0.00 C ATOM 367 O TRP A 27 -0.659 7.916 29.737 1.00 0.00 O ATOM 368 CB TRP A 27 1.699 7.981 27.745 1.00 0.00 C ATOM 369 CG TRP A 27 3.014 8.305 27.103 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.723 9.465 27.228 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.775 7.459 26.234 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.879 9.391 26.489 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.935 8.170 25.870 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.590 6.169 25.729 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.903 7.634 25.026 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.552 5.638 24.891 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.696 6.369 24.546 1.00 0.00 C ATOM 0 H TRP A 27 2.724 8.001 29.985 1.00 0.00 H new ATOM 0 HA TRP A 27 1.490 9.996 28.461 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.755 6.987 28.190 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.927 7.943 26.976 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.420 10.316 27.821 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.582 10.126 26.413 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.711 5.598 25.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.786 8.196 24.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.419 4.642 24.495 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.429 5.926 23.888 1.00 0.00 H new ATOM 388 N THR A 28 -0.976 9.839 28.613 1.00 0.00 N ATOM 389 CA THR A 28 -2.420 9.843 28.809 1.00 0.00 C ATOM 390 C THR A 28 -3.109 8.888 27.842 1.00 0.00 C ATOM 391 O THR A 28 -2.456 8.236 27.028 1.00 0.00 O ATOM 392 CB THR A 28 -3.008 11.255 28.625 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.007 11.609 27.237 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.211 12.281 29.416 1.00 0.00 C ATOM 0 H THR A 28 -0.621 10.634 28.082 1.00 0.00 H new ATOM 0 HA THR A 28 -2.601 9.513 29.832 1.00 0.00 H new ATOM 0 HB THR A 28 -4.032 11.249 28.997 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.384 12.507 27.128 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.645 13.270 29.270 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.238 12.025 30.475 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.177 12.284 29.070 1.00 0.00 H new ATOM 402 N GLN A 29 -4.433 8.811 27.936 1.00 0.00 N ATOM 403 CA GLN A 29 -5.210 7.934 27.068 1.00 0.00 C ATOM 404 C GLN A 29 -5.034 8.322 25.604 1.00 0.00 C ATOM 405 O GLN A 29 -5.307 7.527 24.705 1.00 0.00 O ATOM 406 CB GLN A 29 -6.691 7.988 27.447 1.00 0.00 C ATOM 407 CG GLN A 29 -7.308 6.619 27.685 1.00 0.00 C ATOM 408 CD GLN A 29 -8.823 6.660 27.720 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.479 6.723 26.680 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.389 6.625 28.921 1.00 0.00 N ATOM 0 H GLN A 29 -4.989 9.345 28.604 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.845 6.916 27.202 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.805 8.591 28.348 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.242 8.493 26.654 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.985 5.937 26.898 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.937 6.216 28.628 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.808 6.573 29.757 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.405 6.650 29.007 1.00 0.00 H new ATOM 419 N GLU A 30 -4.576 9.548 25.372 1.00 0.00 N ATOM 420 CA GLU A 30 -4.365 10.041 24.016 1.00 0.00 C ATOM 421 C GLU A 30 -2.922 9.816 23.574 1.00 0.00 C ATOM 422 O GLU A 30 -2.665 9.383 22.451 1.00 0.00 O ATOM 423 CB GLU A 30 -4.710 11.529 23.931 1.00 0.00 C ATOM 424 CG GLU A 30 -4.418 12.145 22.573 1.00 0.00 C ATOM 425 CD GLU A 30 -5.305 13.337 22.270 1.00 0.00 C ATOM 426 OE1 GLU A 30 -5.272 14.315 23.046 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.032 13.292 21.255 1.00 0.00 O ATOM 0 H GLU A 30 -4.344 10.218 26.105 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.022 9.485 23.348 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.767 11.662 24.161 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.148 12.068 24.694 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.374 12.455 22.536 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.554 11.390 21.799 1.00 0.00 H new ATOM 434 N HIS A 31 -1.983 10.115 24.466 1.00 0.00 N ATOM 435 CA HIS A 31 -0.565 9.946 24.169 1.00 0.00 C ATOM 436 C HIS A 31 -0.282 8.539 23.653 1.00 0.00 C ATOM 437 O HIS A 31 0.353 8.364 22.612 1.00 0.00 O ATOM 438 CB HIS A 31 0.276 10.223 25.416 1.00 0.00 C ATOM 439 CG HIS A 31 0.542 11.679 25.647 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.849 12.200 26.887 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.548 12.725 24.789 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.030 13.504 26.781 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.854 13.848 25.518 1.00 0.00 N ATOM 0 H HIS A 31 -2.178 10.475 25.400 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.295 10.661 23.392 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.235 9.813 26.287 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.227 9.698 25.327 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.349 12.684 23.728 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.280 14.175 27.590 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.933 14.794 25.145 1.00 0.00 H new ATOM 451 N VAL A 32 -0.756 7.538 24.387 1.00 0.00 N ATOM 452 CA VAL A 32 -0.555 6.146 24.004 1.00 0.00 C ATOM 453 C VAL A 32 -0.975 5.908 22.558 1.00 0.00 C ATOM 454 O VAL A 32 -0.359 5.115 21.844 1.00 0.00 O ATOM 455 CB VAL A 32 -1.344 5.191 24.919 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.233 3.758 24.421 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.854 5.304 26.355 1.00 0.00 C ATOM 0 H VAL A 32 -1.283 7.665 25.251 1.00 0.00 H new ATOM 0 HA VAL A 32 0.510 5.940 24.109 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.395 5.478 24.893 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.797 3.099 25.081 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.636 3.692 23.411 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.186 3.455 24.414 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.422 4.622 26.988 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.204 5.044 26.400 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.992 6.326 26.707 1.00 0.00 H new ATOM 467 N ARG A 33 -2.026 6.600 22.131 1.00 0.00 N ATOM 468 CA ARG A 33 -2.529 6.463 20.769 1.00 0.00 C ATOM 469 C ARG A 33 -1.600 7.153 19.775 1.00 0.00 C ATOM 470 O ARG A 33 -1.164 6.547 18.796 1.00 0.00 O ATOM 471 CB ARG A 33 -3.937 7.053 20.662 1.00 0.00 C ATOM 472 CG ARG A 33 -4.921 6.466 21.661 1.00 0.00 C ATOM 473 CD ARG A 33 -6.334 6.969 21.411 1.00 0.00 C ATOM 474 NE ARG A 33 -6.742 7.966 22.397 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.727 8.835 22.200 1.00 0.00 C ATOM 476 NH1 ARG A 33 -8.402 8.829 21.059 1.00 0.00 N ATOM 477 NH2 ARG A 33 -8.040 9.712 23.145 1.00 0.00 N ATOM 0 H ARG A 33 -2.546 7.261 22.708 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.568 5.401 20.527 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.882 8.132 20.810 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.315 6.888 19.653 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.904 5.378 21.594 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.614 6.728 22.673 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.394 7.401 20.412 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.028 6.129 21.437 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.243 7.997 23.286 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.165 8.156 20.330 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.158 9.497 20.910 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.524 9.720 24.025 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.797 10.379 22.992 1.00 0.00 H new ATOM 491 N GLN A 34 -1.302 8.422 20.033 1.00 0.00 N ATOM 492 CA GLN A 34 -0.426 9.194 19.160 1.00 0.00 C ATOM 493 C GLN A 34 0.888 8.458 18.920 1.00 0.00 C ATOM 494 O GLN A 34 1.329 8.310 17.780 1.00 0.00 O ATOM 495 CB GLN A 34 -0.150 10.571 19.766 1.00 0.00 C ATOM 496 CG GLN A 34 -1.057 11.666 19.227 1.00 0.00 C ATOM 497 CD GLN A 34 -0.594 13.054 19.623 1.00 0.00 C ATOM 498 OE1 GLN A 34 -0.559 13.968 18.799 1.00 0.00 O ATOM 499 NE2 GLN A 34 -0.235 13.220 20.891 1.00 0.00 N ATOM 0 H GLN A 34 -1.654 8.937 20.840 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.930 9.322 18.202 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.268 10.513 20.848 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.888 10.842 19.573 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.097 11.597 18.140 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.071 11.507 19.594 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.280 12.435 21.541 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.085 14.133 21.215 1.00 0.00 H new ATOM 508 N TRP A 35 1.510 8.001 20.001 1.00 0.00 N ATOM 509 CA TRP A 35 2.775 7.281 19.907 1.00 0.00 C ATOM 510 C TRP A 35 2.631 6.038 19.036 1.00 0.00 C ATOM 511 O TRP A 35 3.538 5.688 18.280 1.00 0.00 O ATOM 512 CB TRP A 35 3.266 6.888 21.302 1.00 0.00 C ATOM 513 CG TRP A 35 4.410 5.920 21.278 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.715 6.202 20.990 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.351 4.516 21.550 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.471 5.057 21.067 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.658 4.009 21.410 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.322 3.638 21.901 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.960 2.664 21.607 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.623 2.303 22.096 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.933 1.827 21.950 1.00 0.00 C ATOM 0 H TRP A 35 1.159 8.116 20.952 1.00 0.00 H new ATOM 0 HA TRP A 35 3.508 7.942 19.444 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.571 7.786 21.839 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.439 6.449 21.860 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.097 7.181 20.739 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.475 4.997 20.896 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.310 3.996 22.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.968 2.295 21.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.835 1.615 22.365 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.136 0.779 22.111 1.00 0.00 H new ATOM 532 N LEU A 36 1.486 5.373 19.147 1.00 0.00 N ATOM 533 CA LEU A 36 1.223 4.168 18.368 1.00 0.00 C ATOM 534 C LEU A 36 1.235 4.471 16.873 1.00 0.00 C ATOM 535 O LEU A 36 2.026 3.902 16.122 1.00 0.00 O ATOM 536 CB LEU A 36 -0.125 3.563 18.766 1.00 0.00 C ATOM 537 CG LEU A 36 -0.191 2.036 18.804 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.660 1.493 19.941 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.632 1.568 18.943 1.00 0.00 C ATOM 0 H LEU A 36 0.725 5.648 19.769 1.00 0.00 H new ATOM 0 HA LEU A 36 2.014 3.449 18.580 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.394 3.943 19.752 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.882 3.922 18.068 1.00 0.00 H new ATOM 0 HG LEU A 36 0.206 1.651 17.865 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.601 0.405 19.952 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.696 1.798 19.798 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.294 1.886 20.889 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.660 0.479 18.968 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.056 1.963 19.866 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.214 1.926 18.094 1.00 0.00 H new ATOM 551 N GLU A 37 0.356 5.374 16.451 1.00 0.00 N ATOM 552 CA GLU A 37 0.267 5.754 15.046 1.00 0.00 C ATOM 553 C GLU A 37 1.620 6.232 14.525 1.00 0.00 C ATOM 554 O GLU A 37 1.901 6.149 13.330 1.00 0.00 O ATOM 555 CB GLU A 37 -0.782 6.852 14.856 1.00 0.00 C ATOM 556 CG GLU A 37 -2.121 6.531 15.498 1.00 0.00 C ATOM 557 CD GLU A 37 -3.296 6.998 14.661 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.494 8.225 14.547 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.017 6.134 14.119 1.00 0.00 O ATOM 0 H GLU A 37 -0.304 5.856 17.061 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.032 4.874 14.477 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.401 7.783 15.275 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.931 7.020 13.789 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.196 5.455 15.654 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.170 7.000 16.481 1.00 0.00 H new ATOM 566 N TRP A 38 2.452 6.732 15.431 1.00 0.00 N ATOM 567 CA TRP A 38 3.775 7.225 15.064 1.00 0.00 C ATOM 568 C TRP A 38 4.717 6.069 14.746 1.00 0.00 C ATOM 569 O TRP A 38 5.253 5.979 13.642 1.00 0.00 O ATOM 570 CB TRP A 38 4.356 8.077 16.193 1.00 0.00 C ATOM 571 CG TRP A 38 5.817 8.367 16.027 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.397 9.115 15.044 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.882 7.911 16.869 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.759 9.153 15.223 1.00 0.00 N ATOM 575 CE2 TRP A 38 8.082 8.422 16.336 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.939 7.123 18.021 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.321 8.169 16.917 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.170 6.872 18.596 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.348 7.394 18.044 1.00 0.00 C ATOM 0 H TRP A 38 2.235 6.807 16.425 1.00 0.00 H new ATOM 0 HA TRP A 38 3.671 7.841 14.171 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.810 9.019 16.246 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.200 7.565 17.142 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.864 9.605 14.243 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.422 9.646 14.624 1.00 0.00 H new ATOM 0 HE3 TRP A 38 6.037 6.717 18.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.230 8.570 16.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.226 6.263 19.486 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.295 7.180 18.517 1.00 0.00 H new ATOM 590 N ALA A 39 4.913 5.186 15.720 1.00 0.00 N ATOM 591 CA ALA A 39 5.789 4.035 15.543 1.00 0.00 C ATOM 592 C ALA A 39 5.387 3.224 14.315 1.00 0.00 C ATOM 593 O ALA A 39 6.218 2.548 13.707 1.00 0.00 O ATOM 594 CB ALA A 39 5.769 3.159 16.787 1.00 0.00 C ATOM 0 H ALA A 39 4.477 5.246 16.640 1.00 0.00 H new ATOM 0 HA ALA A 39 6.804 4.402 15.388 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.428 2.303 16.640 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.111 3.738 17.645 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.753 2.808 16.968 1.00 0.00 H new ATOM 600 N ILE A 40 4.110 3.294 13.958 1.00 0.00 N ATOM 601 CA ILE A 40 3.599 2.566 12.803 1.00 0.00 C ATOM 602 C ILE A 40 4.060 3.210 11.499 1.00 0.00 C ATOM 603 O ILE A 40 4.716 2.571 10.676 1.00 0.00 O ATOM 604 CB ILE A 40 2.060 2.501 12.814 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.567 1.783 14.071 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.551 1.801 11.563 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.187 2.215 14.513 1.00 0.00 C ATOM 0 H ILE A 40 3.410 3.847 14.452 1.00 0.00 H new ATOM 0 HA ILE A 40 3.998 1.554 12.867 1.00 0.00 H new ATOM 0 HB ILE A 40 1.668 3.518 12.823 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.561 0.709 13.887 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.272 1.963 14.882 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.462 1.763 11.585 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.877 2.351 10.680 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.949 0.787 11.526 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.097 1.664 15.410 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.192 3.283 14.730 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.530 2.009 13.719 1.00 0.00 H new ATOM 619 N LYS A 41 3.714 4.480 11.319 1.00 0.00 N ATOM 620 CA LYS A 41 4.095 5.213 10.117 1.00 0.00 C ATOM 621 C LYS A 41 5.598 5.469 10.089 1.00 0.00 C ATOM 622 O LYS A 41 6.147 5.880 9.067 1.00 0.00 O ATOM 623 CB LYS A 41 3.340 6.542 10.045 1.00 0.00 C ATOM 624 CG LYS A 41 3.551 7.428 11.261 1.00 0.00 C ATOM 625 CD LYS A 41 4.724 8.373 11.065 1.00 0.00 C ATOM 626 CE LYS A 41 4.265 9.738 10.574 1.00 0.00 C ATOM 627 NZ LYS A 41 4.906 10.107 9.281 1.00 0.00 N ATOM 0 H LYS A 41 3.171 5.023 11.990 1.00 0.00 H new ATOM 0 HA LYS A 41 3.832 4.604 9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.657 7.082 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.275 6.340 9.934 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.646 8.005 11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.726 6.807 12.139 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.263 8.486 12.006 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.423 7.943 10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.182 9.735 10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.501 10.492 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.567 11.043 8.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.939 10.134 9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.660 9.401 8.558 1.00 0.00 H new ATOM 641 N GLU A 42 6.258 5.221 11.216 1.00 0.00 N ATOM 642 CA GLU A 42 7.698 5.424 11.318 1.00 0.00 C ATOM 643 C GLU A 42 8.452 4.130 11.023 1.00 0.00 C ATOM 644 O GLU A 42 9.357 4.103 10.188 1.00 0.00 O ATOM 645 CB GLU A 42 8.066 5.934 12.713 1.00 0.00 C ATOM 646 CG GLU A 42 9.554 6.176 12.899 1.00 0.00 C ATOM 647 CD GLU A 42 10.083 7.278 12.002 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.337 8.249 11.753 1.00 0.00 O ATOM 649 OE2 GLU A 42 11.242 7.171 11.550 1.00 0.00 O ATOM 0 H GLU A 42 5.818 4.879 12.071 1.00 0.00 H new ATOM 0 HA GLU A 42 7.987 6.170 10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.529 6.863 12.905 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.728 5.211 13.456 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.749 6.435 13.940 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.097 5.253 12.693 1.00 0.00 H new ATOM 656 N TYR A 43 8.073 3.061 11.714 1.00 0.00 N ATOM 657 CA TYR A 43 8.715 1.765 11.529 1.00 0.00 C ATOM 658 C TYR A 43 7.993 0.947 10.462 1.00 0.00 C ATOM 659 O TYR A 43 8.235 -0.251 10.312 1.00 0.00 O ATOM 660 CB TYR A 43 8.742 0.992 12.849 1.00 0.00 C ATOM 661 CG TYR A 43 9.312 1.785 14.003 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.449 2.567 13.840 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.713 1.753 15.256 1.00 0.00 C ATOM 664 CE1 TYR A 43 10.974 3.292 14.892 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.230 2.476 16.314 1.00 0.00 C ATOM 666 CZ TYR A 43 10.361 3.244 16.127 1.00 0.00 C ATOM 667 OH TYR A 43 10.879 3.966 17.177 1.00 0.00 O ATOM 0 H TYR A 43 7.325 3.066 12.407 1.00 0.00 H new ATOM 0 HA TYR A 43 9.739 1.939 11.197 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.728 0.681 13.099 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.331 0.084 12.717 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.930 2.609 12.874 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.828 1.153 15.406 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.860 3.893 14.749 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.752 2.440 17.282 1.00 0.00 H new ATOM 0 HH TYR A 43 10.165 4.487 17.599 1.00 0.00 H new ATOM 677 N SER A 44 7.104 1.603 9.723 1.00 0.00 N ATOM 678 CA SER A 44 6.344 0.938 8.672 1.00 0.00 C ATOM 679 C SER A 44 5.671 -0.324 9.204 1.00 0.00 C ATOM 680 O SER A 44 5.814 -1.406 8.632 1.00 0.00 O ATOM 681 CB SER A 44 7.258 0.586 7.497 1.00 0.00 C ATOM 682 OG SER A 44 7.870 1.746 6.961 1.00 0.00 O ATOM 0 H SER A 44 6.893 2.595 9.833 1.00 0.00 H new ATOM 0 HA SER A 44 5.570 1.624 8.328 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.025 -0.114 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.680 0.084 6.721 1.00 0.00 H new ATOM 0 HG SER A 44 8.450 1.494 6.213 1.00 0.00 H new ATOM 688 N LEU A 45 4.937 -0.178 10.301 1.00 0.00 N ATOM 689 CA LEU A 45 4.241 -1.305 10.912 1.00 0.00 C ATOM 690 C LEU A 45 2.877 -1.518 10.265 1.00 0.00 C ATOM 691 O LEU A 45 2.221 -0.564 9.847 1.00 0.00 O ATOM 692 CB LEU A 45 4.075 -1.073 12.415 1.00 0.00 C ATOM 693 CG LEU A 45 5.332 -0.639 13.170 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.054 -0.553 14.663 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.479 -1.600 12.894 1.00 0.00 C ATOM 0 H LEU A 45 4.808 0.710 10.786 1.00 0.00 H new ATOM 0 HA LEU A 45 4.842 -2.201 10.753 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.307 -0.314 12.563 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.704 -1.994 12.866 1.00 0.00 H new ATOM 0 HG LEU A 45 5.621 0.351 12.817 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.960 -0.243 15.184 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.263 0.175 14.845 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.740 -1.530 15.031 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.365 -1.275 13.440 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.200 -2.602 13.219 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.695 -1.612 11.826 1.00 0.00 H new ATOM 707 N MET A 46 2.454 -2.776 10.187 1.00 0.00 N ATOM 708 CA MET A 46 1.166 -3.114 9.594 1.00 0.00 C ATOM 709 C MET A 46 0.487 -4.236 10.372 1.00 0.00 C ATOM 710 O MET A 46 1.112 -4.893 11.203 1.00 0.00 O ATOM 711 CB MET A 46 1.346 -3.527 8.132 1.00 0.00 C ATOM 712 CG MET A 46 2.060 -2.483 7.289 1.00 0.00 C ATOM 713 SD MET A 46 1.518 -2.490 5.569 1.00 0.00 S ATOM 714 CE MET A 46 1.997 -0.842 5.057 1.00 0.00 C ATOM 0 H MET A 46 2.985 -3.578 10.527 1.00 0.00 H new ATOM 0 HA MET A 46 0.531 -2.229 9.638 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.908 -4.460 8.093 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.367 -3.726 7.696 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.886 -1.496 7.717 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.134 -2.663 7.328 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.727 -0.693 4.012 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.482 -0.105 5.673 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.074 -0.723 5.174 1.00 0.00 H new ATOM 724 N GLU A 47 -0.796 -4.449 10.096 1.00 0.00 N ATOM 725 CA GLU A 47 -1.559 -5.492 10.772 1.00 0.00 C ATOM 726 C GLU A 47 -1.659 -5.210 12.268 1.00 0.00 C ATOM 727 O GLU A 47 -1.775 -6.131 13.078 1.00 0.00 O ATOM 728 CB GLU A 47 -0.911 -6.859 10.542 1.00 0.00 C ATOM 729 CG GLU A 47 -0.578 -7.137 9.086 1.00 0.00 C ATOM 730 CD GLU A 47 -1.010 -8.521 8.642 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.290 -9.494 8.951 1.00 0.00 O ATOM 732 OE2 GLU A 47 -2.066 -8.632 7.986 1.00 0.00 O ATOM 0 H GLU A 47 -1.328 -3.914 9.410 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.565 -5.500 10.353 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.002 -6.923 11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.582 -7.636 10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.063 -6.390 8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.496 -7.031 8.936 1.00 0.00 H new ATOM 739 N ILE A 48 -1.613 -3.932 12.627 1.00 0.00 N ATOM 740 CA ILE A 48 -1.699 -3.528 14.025 1.00 0.00 C ATOM 741 C ILE A 48 -3.094 -3.013 14.364 1.00 0.00 C ATOM 742 O ILE A 48 -3.687 -2.249 13.602 1.00 0.00 O ATOM 743 CB ILE A 48 -0.665 -2.437 14.361 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.606 -2.208 15.872 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.007 -1.143 13.636 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.762 -1.789 16.367 1.00 0.00 C ATOM 0 H ILE A 48 -1.517 -3.158 11.969 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.487 -4.414 14.623 1.00 0.00 H new ATOM 0 HB ILE A 48 0.317 -2.771 14.025 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.332 -1.442 16.144 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.903 -3.124 16.382 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.268 -0.381 13.883 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.003 -1.317 12.560 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.995 -0.803 13.945 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.730 -1.644 17.447 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.489 -2.564 16.126 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.053 -0.856 15.885 1.00 0.00 H new ATOM 758 N ASP A 49 -3.611 -3.434 15.513 1.00 0.00 N ATOM 759 CA ASP A 49 -4.935 -3.013 15.955 1.00 0.00 C ATOM 760 C ASP A 49 -4.837 -1.839 16.924 1.00 0.00 C ATOM 761 O ASP A 49 -4.789 -2.025 18.140 1.00 0.00 O ATOM 762 CB ASP A 49 -5.669 -4.179 16.620 1.00 0.00 C ATOM 763 CG ASP A 49 -7.152 -3.910 16.788 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.764 -3.355 15.851 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.700 -4.255 17.855 1.00 0.00 O ATOM 0 H ASP A 49 -3.133 -4.066 16.155 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.498 -2.692 15.079 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.532 -5.080 16.022 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.225 -4.374 17.596 1.00 0.00 H new ATOM 770 N THR A 50 -4.806 -0.628 16.377 1.00 0.00 N ATOM 771 CA THR A 50 -4.711 0.577 17.191 1.00 0.00 C ATOM 772 C THR A 50 -5.919 0.715 18.111 1.00 0.00 C ATOM 773 O THR A 50 -5.856 1.394 19.136 1.00 0.00 O ATOM 774 CB THR A 50 -4.599 1.840 16.316 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.755 1.960 15.480 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.346 1.792 15.455 1.00 0.00 C ATOM 0 H THR A 50 -4.845 -0.456 15.372 1.00 0.00 H new ATOM 0 HA THR A 50 -3.808 0.481 17.793 1.00 0.00 H new ATOM 0 HB THR A 50 -4.535 2.707 16.973 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.677 2.766 14.928 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.288 2.694 14.846 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.466 1.730 16.096 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.384 0.917 14.805 1.00 0.00 H new ATOM 784 N SER A 51 -7.018 0.068 17.738 1.00 0.00 N ATOM 785 CA SER A 51 -8.242 0.121 18.529 1.00 0.00 C ATOM 786 C SER A 51 -8.019 -0.474 19.916 1.00 0.00 C ATOM 787 O SER A 51 -8.711 -0.124 20.873 1.00 0.00 O ATOM 788 CB SER A 51 -9.369 -0.628 17.815 1.00 0.00 C ATOM 789 OG SER A 51 -9.566 -1.912 18.381 1.00 0.00 O ATOM 0 H SER A 51 -7.086 -0.499 16.893 1.00 0.00 H new ATOM 0 HA SER A 51 -8.526 1.167 18.643 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.292 -0.052 17.882 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.131 -0.727 16.756 1.00 0.00 H new ATOM 0 HG SER A 51 -8.783 -2.473 18.200 1.00 0.00 H new ATOM 795 N PHE A 52 -7.049 -1.375 20.017 1.00 0.00 N ATOM 796 CA PHE A 52 -6.734 -2.021 21.287 1.00 0.00 C ATOM 797 C PHE A 52 -6.148 -1.018 22.276 1.00 0.00 C ATOM 798 O PHE A 52 -6.223 -1.210 23.490 1.00 0.00 O ATOM 799 CB PHE A 52 -5.750 -3.172 21.068 1.00 0.00 C ATOM 800 CG PHE A 52 -5.995 -4.349 21.968 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.410 -4.411 23.223 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.810 -5.393 21.560 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.633 -5.494 24.053 1.00 0.00 C ATOM 804 CE2 PHE A 52 -7.037 -6.477 22.387 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.448 -6.527 23.635 1.00 0.00 C ATOM 0 H PHE A 52 -6.467 -1.675 19.235 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.660 -2.418 21.704 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.811 -3.499 20.030 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.735 -2.807 21.228 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.773 -3.605 23.556 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.273 -5.359 20.585 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.170 -5.532 25.028 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.674 -7.284 22.057 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.625 -7.373 24.283 1.00 0.00 H new ATOM 815 N PHE A 53 -5.564 0.053 21.748 1.00 0.00 N ATOM 816 CA PHE A 53 -4.963 1.086 22.584 1.00 0.00 C ATOM 817 C PHE A 53 -5.735 2.397 22.467 1.00 0.00 C ATOM 818 O PHE A 53 -5.215 3.465 22.789 1.00 0.00 O ATOM 819 CB PHE A 53 -3.501 1.305 22.189 1.00 0.00 C ATOM 820 CG PHE A 53 -2.714 0.031 22.072 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.739 -0.709 20.901 1.00 0.00 C ATOM 822 CD2 PHE A 53 -1.950 -0.427 23.134 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.015 -1.882 20.790 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.225 -1.598 23.028 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.258 -2.327 21.856 1.00 0.00 C ATOM 0 H PHE A 53 -5.494 0.228 20.746 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.006 0.750 23.620 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.466 1.833 21.236 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.026 1.950 22.929 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.331 -0.366 20.065 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.921 0.138 24.054 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.042 -2.449 19.871 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.632 -1.943 23.862 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.693 -3.244 21.773 1.00 0.00 H new ATOM 835 N GLN A 54 -6.978 2.306 22.005 1.00 0.00 N ATOM 836 CA GLN A 54 -7.821 3.484 21.844 1.00 0.00 C ATOM 837 C GLN A 54 -8.062 4.168 23.186 1.00 0.00 C ATOM 838 O GLN A 54 -8.242 5.383 23.251 1.00 0.00 O ATOM 839 CB GLN A 54 -9.157 3.098 21.208 1.00 0.00 C ATOM 840 CG GLN A 54 -10.072 2.319 22.139 1.00 0.00 C ATOM 841 CD GLN A 54 -11.436 2.056 21.531 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.820 2.683 20.543 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.177 1.125 22.120 1.00 0.00 N ATOM 0 H GLN A 54 -7.423 1.429 21.736 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.303 4.184 21.188 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.670 4.003 20.882 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.966 2.501 20.316 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.602 1.369 22.393 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.194 2.873 23.070 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.819 0.630 22.937 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.104 0.905 21.756 1.00 0.00 H new ATOM 852 N ASN A 55 -8.064 3.378 24.255 1.00 0.00 N ATOM 853 CA ASN A 55 -8.284 3.908 25.596 1.00 0.00 C ATOM 854 C ASN A 55 -7.300 3.298 26.590 1.00 0.00 C ATOM 855 O ASN A 55 -7.578 3.223 27.786 1.00 0.00 O ATOM 856 CB ASN A 55 -9.720 3.631 26.047 1.00 0.00 C ATOM 857 CG ASN A 55 -10.003 2.148 26.195 1.00 0.00 C ATOM 858 OD1 ASN A 55 -9.919 1.389 25.229 1.00 0.00 O ATOM 859 ND2 ASN A 55 -10.342 1.729 27.409 1.00 0.00 N ATOM 0 H ASN A 55 -7.916 2.369 24.219 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.121 4.985 25.565 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.902 4.130 26.999 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.414 4.060 25.325 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.545 0.742 27.570 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.399 2.394 28.180 1.00 0.00 H new ATOM 866 N MET A 56 -6.150 2.865 26.085 1.00 0.00 N ATOM 867 CA MET A 56 -5.124 2.263 26.929 1.00 0.00 C ATOM 868 C MET A 56 -4.181 3.328 27.481 1.00 0.00 C ATOM 869 O MET A 56 -3.281 3.796 26.783 1.00 0.00 O ATOM 870 CB MET A 56 -4.329 1.222 26.138 1.00 0.00 C ATOM 871 CG MET A 56 -3.204 0.583 26.936 1.00 0.00 C ATOM 872 SD MET A 56 -3.485 -1.171 27.250 1.00 0.00 S ATOM 873 CE MET A 56 -3.486 -1.818 25.580 1.00 0.00 C ATOM 0 H MET A 56 -5.905 2.919 25.096 1.00 0.00 H new ATOM 0 HA MET A 56 -5.619 1.772 27.766 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.008 0.442 25.794 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.910 1.694 25.249 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.265 0.706 26.396 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.095 1.106 27.886 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.106 -2.713 25.537 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.886 -1.067 24.899 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.467 -2.069 25.286 1.00 0.00 H new ATOM 883 N ASP A 57 -4.394 3.706 28.737 1.00 0.00 N ATOM 884 CA ASP A 57 -3.562 4.715 29.382 1.00 0.00 C ATOM 885 C ASP A 57 -2.101 4.278 29.411 1.00 0.00 C ATOM 886 O ASP A 57 -1.800 3.087 29.459 1.00 0.00 O ATOM 887 CB ASP A 57 -4.057 4.980 30.805 1.00 0.00 C ATOM 888 CG ASP A 57 -4.409 3.703 31.542 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.499 3.094 32.144 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.595 3.313 31.519 1.00 0.00 O ATOM 0 H ASP A 57 -5.135 3.329 29.328 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.635 5.635 28.803 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.288 5.516 31.360 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.933 5.628 30.767 1.00 0.00 H new ATOM 895 N GLY A 58 -1.196 5.252 29.381 1.00 0.00 N ATOM 896 CA GLY A 58 0.222 4.948 29.403 1.00 0.00 C ATOM 897 C GLY A 58 0.576 3.908 30.447 1.00 0.00 C ATOM 898 O GLY A 58 1.439 3.059 30.222 1.00 0.00 O ATOM 0 H GLY A 58 -1.420 6.246 29.342 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.529 4.591 28.420 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.783 5.861 29.600 1.00 0.00 H new ATOM 902 N LYS A 59 -0.090 3.975 31.595 1.00 0.00 N ATOM 903 CA LYS A 59 0.158 3.032 32.680 1.00 0.00 C ATOM 904 C LYS A 59 -0.196 1.610 32.257 1.00 0.00 C ATOM 905 O LYS A 59 0.548 0.669 32.532 1.00 0.00 O ATOM 906 CB LYS A 59 -0.652 3.424 33.918 1.00 0.00 C ATOM 907 CG LYS A 59 -0.154 4.689 34.595 1.00 0.00 C ATOM 908 CD LYS A 59 1.239 4.501 35.172 1.00 0.00 C ATOM 909 CE LYS A 59 1.347 5.091 36.570 1.00 0.00 C ATOM 910 NZ LYS A 59 2.442 4.457 37.356 1.00 0.00 N ATOM 0 H LYS A 59 -0.806 4.673 31.798 1.00 0.00 H new ATOM 0 HA LYS A 59 1.220 3.066 32.922 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.695 3.562 33.631 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.624 2.603 34.635 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.143 5.508 33.876 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.843 4.973 35.390 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.480 3.439 35.205 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.972 4.974 34.518 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.525 6.164 36.499 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.400 4.959 37.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.483 4.886 38.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.259 3.437 37.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.349 4.604 36.869 1.00 0.00 H new ATOM 924 N GLU A 60 -1.333 1.463 31.585 1.00 0.00 N ATOM 925 CA GLU A 60 -1.783 0.155 31.124 1.00 0.00 C ATOM 926 C GLU A 60 -0.999 -0.287 29.892 1.00 0.00 C ATOM 927 O GLU A 60 -1.056 -1.450 29.490 1.00 0.00 O ATOM 928 CB GLU A 60 -3.279 0.189 30.804 1.00 0.00 C ATOM 929 CG GLU A 60 -4.164 0.244 32.038 1.00 0.00 C ATOM 930 CD GLU A 60 -4.521 -1.134 32.562 1.00 0.00 C ATOM 931 OE1 GLU A 60 -4.950 -1.983 31.752 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.373 -1.362 33.780 1.00 0.00 O ATOM 0 H GLU A 60 -1.959 2.233 31.348 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.606 -0.564 31.924 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.488 1.056 30.178 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.537 -0.695 30.221 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.655 0.806 32.821 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.079 0.787 31.800 1.00 0.00 H new ATOM 939 N LEU A 61 -0.267 0.648 29.297 1.00 0.00 N ATOM 940 CA LEU A 61 0.530 0.356 28.111 1.00 0.00 C ATOM 941 C LEU A 61 1.925 -0.125 28.496 1.00 0.00 C ATOM 942 O LEU A 61 2.535 -0.925 27.785 1.00 0.00 O ATOM 943 CB LEU A 61 0.633 1.598 27.224 1.00 0.00 C ATOM 944 CG LEU A 61 1.701 1.555 26.130 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.490 0.351 25.225 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.686 2.843 25.319 1.00 0.00 C ATOM 0 H LEU A 61 -0.209 1.615 29.616 1.00 0.00 H new ATOM 0 HA LEU A 61 0.033 -0.440 27.556 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.335 1.764 26.752 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.829 2.460 27.862 1.00 0.00 H new ATOM 0 HG LEU A 61 2.677 1.460 26.606 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.259 0.337 24.453 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.552 -0.563 25.815 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.508 0.415 24.757 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.452 2.795 24.545 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.708 2.969 24.854 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.887 3.689 25.976 1.00 0.00 H new ATOM 958 N CYS A 62 2.424 0.366 29.625 1.00 0.00 N ATOM 959 CA CYS A 62 3.747 -0.015 30.107 1.00 0.00 C ATOM 960 C CYS A 62 3.683 -1.318 30.898 1.00 0.00 C ATOM 961 O CYS A 62 4.710 -1.933 31.186 1.00 0.00 O ATOM 962 CB CYS A 62 4.335 1.096 30.977 1.00 0.00 C ATOM 963 SG CYS A 62 4.511 2.683 30.129 1.00 0.00 S ATOM 0 H CYS A 62 1.932 1.029 30.224 1.00 0.00 H new ATOM 0 HA CYS A 62 4.392 -0.168 29.242 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.699 1.232 31.852 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.313 0.780 31.340 1.00 0.00 H new ATOM 0 HG CYS A 62 3.338 3.216 29.958 1.00 0.00 H new ATOM 969 N LYS A 63 2.471 -1.733 31.248 1.00 0.00 N ATOM 970 CA LYS A 63 2.272 -2.962 32.007 1.00 0.00 C ATOM 971 C LYS A 63 2.032 -4.144 31.073 1.00 0.00 C ATOM 972 O LYS A 63 2.343 -5.286 31.411 1.00 0.00 O ATOM 973 CB LYS A 63 1.089 -2.808 32.966 1.00 0.00 C ATOM 974 CG LYS A 63 -0.264 -2.867 32.278 1.00 0.00 C ATOM 975 CD LYS A 63 -1.403 -2.761 33.277 1.00 0.00 C ATOM 976 CE LYS A 63 -1.823 -4.130 33.791 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.297 -4.326 33.704 1.00 0.00 N ATOM 0 H LYS A 63 1.611 -1.236 31.018 1.00 0.00 H new ATOM 0 HA LYS A 63 3.177 -3.154 32.584 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.138 -3.594 33.720 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.179 -1.857 33.491 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.339 -2.058 31.552 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.351 -3.802 31.724 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.096 -2.135 34.115 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.256 -2.270 32.808 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.319 -4.905 33.214 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.502 -4.244 34.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.617 -4.910 34.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.773 -3.402 33.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.532 -4.804 32.810 1.00 0.00 H new ATOM 991 N MET A 64 1.479 -3.862 29.898 1.00 0.00 N ATOM 992 CA MET A 64 1.201 -4.903 28.916 1.00 0.00 C ATOM 993 C MET A 64 2.443 -5.749 28.653 1.00 0.00 C ATOM 994 O MET A 64 3.569 -5.278 28.805 1.00 0.00 O ATOM 995 CB MET A 64 0.707 -4.281 27.608 1.00 0.00 C ATOM 996 CG MET A 64 -0.696 -3.703 27.702 1.00 0.00 C ATOM 997 SD MET A 64 -1.892 -4.617 26.709 1.00 0.00 S ATOM 998 CE MET A 64 -1.156 -4.480 25.082 1.00 0.00 C ATOM 0 H MET A 64 1.215 -2.922 29.603 1.00 0.00 H new ATOM 0 HA MET A 64 0.422 -5.550 29.320 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.397 -3.492 27.307 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.727 -5.038 26.824 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.017 -3.706 28.744 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.679 -2.663 27.377 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.942 -4.366 24.336 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.498 -3.611 25.052 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.579 -5.379 24.867 1.00 0.00 H new ATOM 1008 N ASN A 65 2.230 -6.999 28.257 1.00 0.00 N ATOM 1009 CA ASN A 65 3.333 -7.910 27.973 1.00 0.00 C ATOM 1010 C ASN A 65 3.284 -8.390 26.526 1.00 0.00 C ATOM 1011 O ASN A 65 2.360 -8.061 25.782 1.00 0.00 O ATOM 1012 CB ASN A 65 3.287 -9.110 28.922 1.00 0.00 C ATOM 1013 CG ASN A 65 2.747 -8.745 30.291 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.221 -7.802 30.926 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.751 -9.491 30.753 1.00 0.00 N ATOM 0 H ASN A 65 1.304 -7.405 28.125 1.00 0.00 H new ATOM 0 HA ASN A 65 4.267 -7.369 28.126 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.665 -9.891 28.486 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.290 -9.524 29.029 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.347 -9.293 31.668 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.389 -10.263 30.193 1.00 0.00 H new ATOM 1022 N LYS A 66 4.285 -9.170 26.133 1.00 0.00 N ATOM 1023 CA LYS A 66 4.358 -9.698 24.776 1.00 0.00 C ATOM 1024 C LYS A 66 3.053 -10.387 24.390 1.00 0.00 C ATOM 1025 O LYS A 66 2.610 -10.301 23.245 1.00 0.00 O ATOM 1026 CB LYS A 66 5.523 -10.681 24.650 1.00 0.00 C ATOM 1027 CG LYS A 66 5.858 -11.048 23.215 1.00 0.00 C ATOM 1028 CD LYS A 66 7.073 -10.287 22.714 1.00 0.00 C ATOM 1029 CE LYS A 66 7.355 -10.588 21.250 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.558 -11.449 21.082 1.00 0.00 N ATOM 0 H LYS A 66 5.058 -9.451 26.736 1.00 0.00 H new ATOM 0 HA LYS A 66 4.522 -8.862 24.096 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.405 -10.247 25.121 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.282 -11.590 25.201 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.045 -12.120 23.147 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.003 -10.832 22.574 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.911 -9.217 22.842 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.943 -10.552 23.315 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.490 -11.082 20.808 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.499 -9.653 20.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.005 -11.246 20.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.234 -11.254 21.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.276 -12.450 21.115 1.00 0.00 H new ATOM 1044 N GLU A 67 2.442 -11.070 25.353 1.00 0.00 N ATOM 1045 CA GLU A 67 1.188 -11.774 25.113 1.00 0.00 C ATOM 1046 C GLU A 67 0.063 -10.790 24.802 1.00 0.00 C ATOM 1047 O GLU A 67 -0.544 -10.842 23.732 1.00 0.00 O ATOM 1048 CB GLU A 67 0.814 -12.626 26.327 1.00 0.00 C ATOM 1049 CG GLU A 67 0.904 -14.121 26.073 1.00 0.00 C ATOM 1050 CD GLU A 67 -0.447 -14.746 25.782 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -1.166 -14.221 24.906 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.785 -15.758 26.430 1.00 0.00 O ATOM 0 H GLU A 67 2.795 -11.151 26.307 1.00 0.00 H new ATOM 0 HA GLU A 67 1.327 -12.426 24.251 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.470 -12.367 27.158 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.202 -12.379 26.634 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.573 -14.303 25.232 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.345 -14.608 26.943 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.209 -9.895 25.745 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.259 -8.898 25.573 1.00 0.00 C ATOM 1061 C ASP A 68 -1.022 -8.070 24.314 1.00 0.00 C ATOM 1062 O ASP A 68 -1.968 -7.634 23.658 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.328 -7.982 26.796 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.325 -8.755 28.100 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -2.139 -9.693 28.235 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.509 -8.424 28.984 1.00 0.00 O ATOM 0 H ASP A 68 0.283 -9.839 26.637 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.209 -9.422 25.468 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.480 -7.297 26.781 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.231 -7.373 26.740 1.00 0.00 H new ATOM 1071 N PHE A 69 0.247 -7.856 23.983 1.00 0.00 N ATOM 1072 CA PHE A 69 0.609 -7.079 22.804 1.00 0.00 C ATOM 1073 C PHE A 69 0.321 -7.862 21.526 1.00 0.00 C ATOM 1074 O PHE A 69 -0.049 -7.286 20.502 1.00 0.00 O ATOM 1075 CB PHE A 69 2.089 -6.692 22.856 1.00 0.00 C ATOM 1076 CG PHE A 69 2.329 -5.307 23.384 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.895 -4.197 22.677 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.987 -5.114 24.588 1.00 0.00 C ATOM 1079 CE1 PHE A 69 2.115 -2.921 23.160 1.00 0.00 C ATOM 1080 CE2 PHE A 69 3.209 -3.841 25.077 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.772 -2.743 24.362 1.00 0.00 C ATOM 0 H PHE A 69 1.042 -8.210 24.515 1.00 0.00 H new ATOM 0 HA PHE A 69 0.004 -6.173 22.798 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.622 -7.408 23.482 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.512 -6.768 21.854 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.379 -4.331 21.738 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.331 -5.969 25.151 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.774 -2.064 22.598 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.723 -3.705 26.017 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.944 -1.747 24.742 1.00 0.00 H new ATOM 1091 N LEU A 70 0.493 -9.177 21.594 1.00 0.00 N ATOM 1092 CA LEU A 70 0.252 -10.041 20.444 1.00 0.00 C ATOM 1093 C LEU A 70 -1.238 -10.128 20.131 1.00 0.00 C ATOM 1094 O LEU A 70 -1.629 -10.495 19.023 1.00 0.00 O ATOM 1095 CB LEU A 70 0.813 -11.440 20.705 1.00 0.00 C ATOM 1096 CG LEU A 70 2.205 -11.722 20.138 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.677 -13.109 20.547 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.201 -11.583 18.623 1.00 0.00 C ATOM 0 H LEU A 70 0.799 -9.669 22.434 1.00 0.00 H new ATOM 0 HA LEU A 70 0.760 -9.608 19.583 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.842 -11.603 21.782 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.119 -12.171 20.290 1.00 0.00 H new ATOM 0 HG LEU A 70 2.899 -10.989 20.548 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.669 -13.292 20.134 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.719 -13.173 21.634 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.982 -13.857 20.166 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.199 -11.787 18.236 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.494 -12.293 18.194 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.907 -10.569 18.351 1.00 0.00 H new ATOM 1110 N ARG A 71 -2.065 -9.786 21.113 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.512 -9.825 20.943 1.00 0.00 C ATOM 1112 C ARG A 71 -4.017 -8.542 20.289 1.00 0.00 C ATOM 1113 O ARG A 71 -5.221 -8.356 20.111 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.202 -10.027 22.293 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.709 -11.249 23.051 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.797 -11.827 23.943 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.603 -13.254 24.188 1.00 0.00 N ATOM 1118 CZ ARG A 71 -4.885 -14.197 23.297 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -5.370 -13.866 22.108 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -4.682 -15.474 23.593 1.00 0.00 N ATOM 0 H ARG A 71 -1.757 -9.478 22.036 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.753 -10.665 20.291 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.046 -9.141 22.908 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.276 -10.118 22.133 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.376 -12.008 22.343 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.845 -10.978 23.658 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.807 -11.294 24.894 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.770 -11.668 23.478 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.231 -13.542 25.093 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.527 -12.885 21.876 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.586 -14.592 21.425 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.309 -15.733 24.506 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.899 -16.197 22.907 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.089 -7.659 19.935 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.439 -6.395 19.300 1.00 0.00 C ATOM 1136 C ALA A 72 -2.570 -6.137 18.074 1.00 0.00 C ATOM 1137 O ALA A 72 -3.047 -5.635 17.056 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.307 -5.251 20.294 1.00 0.00 C ATOM 0 H ALA A 72 -2.088 -7.796 20.078 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.476 -6.457 18.970 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.571 -4.313 19.806 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.976 -5.423 21.137 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.279 -5.197 20.652 1.00 0.00 H new ATOM 1144 N THR A 73 -1.290 -6.482 18.178 1.00 0.00 N ATOM 1145 CA THR A 73 -0.353 -6.286 17.079 1.00 0.00 C ATOM 1146 C THR A 73 0.426 -7.563 16.786 1.00 0.00 C ATOM 1147 O THR A 73 0.565 -8.430 17.649 1.00 0.00 O ATOM 1148 CB THR A 73 0.641 -5.150 17.384 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.305 -4.744 16.182 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.670 -5.594 18.413 1.00 0.00 C ATOM 0 H THR A 73 -0.879 -6.899 19.013 1.00 0.00 H new ATOM 0 HA THR A 73 -0.944 -6.016 16.204 1.00 0.00 H new ATOM 0 HB THR A 73 0.082 -4.308 17.792 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.641 -4.580 15.481 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.361 -4.775 18.613 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.163 -5.875 19.336 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.223 -6.451 18.028 1.00 0.00 H new ATOM 1158 N THR A 74 0.934 -7.673 15.562 1.00 0.00 N ATOM 1159 CA THR A 74 1.699 -8.845 15.154 1.00 0.00 C ATOM 1160 C THR A 74 2.963 -8.995 15.993 1.00 0.00 C ATOM 1161 O THR A 74 3.433 -8.033 16.603 1.00 0.00 O ATOM 1162 CB THR A 74 2.089 -8.771 13.666 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.826 -9.941 13.295 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.924 -7.530 13.387 1.00 0.00 C ATOM 0 H THR A 74 0.829 -6.964 14.836 1.00 0.00 H new ATOM 0 HA THR A 74 1.057 -9.712 15.310 1.00 0.00 H new ATOM 0 HB THR A 74 1.175 -8.715 13.075 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.069 -9.888 12.347 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.188 -7.499 12.330 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.350 -6.640 13.644 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.833 -7.561 13.987 1.00 0.00 H new ATOM 1172 N LEU A 75 3.508 -10.205 16.020 1.00 0.00 N ATOM 1173 CA LEU A 75 4.720 -10.482 16.785 1.00 0.00 C ATOM 1174 C LEU A 75 5.822 -9.486 16.437 1.00 0.00 C ATOM 1175 O LEU A 75 6.417 -8.869 17.321 1.00 0.00 O ATOM 1176 CB LEU A 75 5.202 -11.908 16.516 1.00 0.00 C ATOM 1177 CG LEU A 75 6.640 -12.220 16.932 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.803 -12.076 18.438 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.033 -13.620 16.483 1.00 0.00 C ATOM 0 H LEU A 75 3.131 -11.011 15.521 1.00 0.00 H new ATOM 0 HA LEU A 75 4.483 -10.379 17.844 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.537 -12.599 17.034 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.102 -12.109 15.449 1.00 0.00 H new ATOM 0 HG LEU A 75 7.302 -11.504 16.445 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.833 -12.302 18.716 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.563 -11.055 18.734 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.130 -12.768 18.945 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.059 -13.825 16.787 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.366 -14.350 16.942 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.956 -13.689 15.398 1.00 0.00 H new ATOM 1191 N TYR A 76 6.088 -9.333 15.145 1.00 0.00 N ATOM 1192 CA TYR A 76 7.118 -8.412 14.680 1.00 0.00 C ATOM 1193 C TYR A 76 6.952 -7.039 15.323 1.00 0.00 C ATOM 1194 O TYR A 76 7.879 -6.514 15.939 1.00 0.00 O ATOM 1195 CB TYR A 76 7.067 -8.283 13.156 1.00 0.00 C ATOM 1196 CG TYR A 76 8.140 -7.381 12.589 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.002 -5.999 12.623 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.290 -7.911 12.017 1.00 0.00 C ATOM 1199 CE1 TYR A 76 8.979 -5.171 12.105 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.273 -7.091 11.498 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.113 -5.722 11.544 1.00 0.00 C ATOM 1202 OH TYR A 76 11.089 -4.901 11.027 1.00 0.00 O ATOM 0 H TYR A 76 5.604 -9.835 14.401 1.00 0.00 H new ATOM 0 HA TYR A 76 8.088 -8.815 14.972 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.165 -9.274 12.712 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.090 -7.899 12.865 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.116 -5.565 13.062 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.418 -8.983 11.977 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.856 -4.099 12.139 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.162 -7.519 11.059 1.00 0.00 H new ATOM 0 HH TYR A 76 11.821 -5.447 10.671 1.00 0.00 H new ATOM 1212 N ASN A 77 5.763 -6.464 15.177 1.00 0.00 N ATOM 1213 CA ASN A 77 5.474 -5.151 15.743 1.00 0.00 C ATOM 1214 C ASN A 77 5.551 -5.188 17.267 1.00 0.00 C ATOM 1215 O ASN A 77 5.936 -4.207 17.904 1.00 0.00 O ATOM 1216 CB ASN A 77 4.088 -4.677 15.302 1.00 0.00 C ATOM 1217 CG ASN A 77 4.025 -4.375 13.817 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.054 -4.280 13.148 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.814 -4.224 13.295 1.00 0.00 N ATOM 0 H ASN A 77 4.984 -6.886 14.672 1.00 0.00 H new ATOM 0 HA ASN A 77 6.224 -4.450 15.376 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.351 -5.442 15.546 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.817 -3.783 15.864 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.709 -4.021 12.301 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.989 -4.312 13.888 1.00 0.00 H new ATOM 1226 N THR A 78 5.182 -6.326 17.845 1.00 0.00 N ATOM 1227 CA THR A 78 5.208 -6.491 19.293 1.00 0.00 C ATOM 1228 C THR A 78 6.629 -6.378 19.834 1.00 0.00 C ATOM 1229 O THR A 78 6.837 -5.964 20.974 1.00 0.00 O ATOM 1230 CB THR A 78 4.617 -7.850 19.714 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.257 -7.950 19.277 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.684 -8.024 21.224 1.00 0.00 C ATOM 0 H THR A 78 4.861 -7.148 17.333 1.00 0.00 H new ATOM 0 HA THR A 78 4.598 -5.692 19.713 1.00 0.00 H new ATOM 0 HB THR A 78 5.207 -8.638 19.246 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.233 -8.287 18.357 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.261 -8.991 21.498 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.723 -7.977 21.550 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.116 -7.229 21.707 1.00 0.00 H new ATOM 1240 N GLU A 79 7.603 -6.749 19.008 1.00 0.00 N ATOM 1241 CA GLU A 79 9.004 -6.688 19.405 1.00 0.00 C ATOM 1242 C GLU A 79 9.533 -5.260 19.319 1.00 0.00 C ATOM 1243 O GLU A 79 10.367 -4.845 20.124 1.00 0.00 O ATOM 1244 CB GLU A 79 9.848 -7.610 18.522 1.00 0.00 C ATOM 1245 CG GLU A 79 9.972 -9.025 19.063 1.00 0.00 C ATOM 1246 CD GLU A 79 11.415 -9.472 19.201 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.056 -9.102 20.208 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.902 -10.190 18.304 1.00 0.00 O ATOM 0 H GLU A 79 7.447 -7.094 18.061 1.00 0.00 H new ATOM 0 HA GLU A 79 9.076 -7.022 20.440 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.408 -7.648 17.526 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.845 -7.183 18.414 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.483 -9.082 20.036 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.445 -9.711 18.400 1.00 0.00 H new ATOM 1255 N VAL A 80 9.042 -4.511 18.336 1.00 0.00 N ATOM 1256 CA VAL A 80 9.464 -3.129 18.144 1.00 0.00 C ATOM 1257 C VAL A 80 8.914 -2.228 19.245 1.00 0.00 C ATOM 1258 O VAL A 80 9.671 -1.566 19.956 1.00 0.00 O ATOM 1259 CB VAL A 80 9.006 -2.587 16.777 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.361 -1.115 16.639 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.622 -3.401 15.649 1.00 0.00 C ATOM 0 H VAL A 80 8.352 -4.839 17.661 1.00 0.00 H new ATOM 0 HA VAL A 80 10.553 -3.123 18.183 1.00 0.00 H new ATOM 0 HB VAL A 80 7.922 -2.681 16.713 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.029 -0.750 15.667 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.868 -0.546 17.427 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.441 -0.992 16.724 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.288 -3.005 14.690 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.709 -3.340 15.708 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.311 -4.442 15.740 1.00 0.00 H new ATOM 1271 N LEU A 81 7.593 -2.209 19.381 1.00 0.00 N ATOM 1272 CA LEU A 81 6.940 -1.390 20.396 1.00 0.00 C ATOM 1273 C LEU A 81 7.525 -1.667 21.778 1.00 0.00 C ATOM 1274 O LEU A 81 8.021 -0.760 22.448 1.00 0.00 O ATOM 1275 CB LEU A 81 5.434 -1.656 20.404 1.00 0.00 C ATOM 1276 CG LEU A 81 4.686 -1.317 19.115 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.196 -1.578 19.277 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.935 0.132 18.719 1.00 0.00 C ATOM 0 H LEU A 81 6.953 -2.751 18.801 1.00 0.00 H new ATOM 0 HA LEU A 81 7.116 -0.343 20.150 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.273 -2.711 20.627 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.989 -1.086 21.219 1.00 0.00 H new ATOM 0 HG LEU A 81 5.062 -1.961 18.320 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.680 -1.331 18.349 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.034 -2.630 19.513 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.804 -0.961 20.085 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.395 0.356 17.799 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.587 0.791 19.514 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.002 0.288 18.560 1.00 0.00 H new ATOM 1290 N LEU A 82 7.464 -2.926 22.198 1.00 0.00 N ATOM 1291 CA LEU A 82 7.990 -3.325 23.499 1.00 0.00 C ATOM 1292 C LEU A 82 9.432 -2.858 23.671 1.00 0.00 C ATOM 1293 O LEU A 82 9.788 -2.274 24.694 1.00 0.00 O ATOM 1294 CB LEU A 82 7.911 -4.844 23.660 1.00 0.00 C ATOM 1295 CG LEU A 82 6.554 -5.404 24.087 1.00 0.00 C ATOM 1296 CD1 LEU A 82 6.538 -6.919 23.958 1.00 0.00 C ATOM 1297 CD2 LEU A 82 6.230 -4.985 25.514 1.00 0.00 C ATOM 0 H LEU A 82 7.056 -3.688 21.657 1.00 0.00 H new ATOM 0 HA LEU A 82 7.381 -2.852 24.269 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.190 -5.305 22.712 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.656 -5.151 24.395 1.00 0.00 H new ATOM 0 HG LEU A 82 5.789 -4.995 23.427 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.564 -7.300 24.266 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.725 -7.198 22.921 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.313 -7.347 24.594 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.261 -5.392 25.802 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.998 -5.365 26.188 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.199 -3.897 25.576 1.00 0.00 H new ATOM 1309 N SER A 83 10.256 -3.117 22.661 1.00 0.00 N ATOM 1310 CA SER A 83 11.660 -2.724 22.700 1.00 0.00 C ATOM 1311 C SER A 83 11.797 -1.214 22.864 1.00 0.00 C ATOM 1312 O SER A 83 12.584 -0.735 23.682 1.00 0.00 O ATOM 1313 CB SER A 83 12.374 -3.177 21.425 1.00 0.00 C ATOM 1314 OG SER A 83 13.646 -2.564 21.307 1.00 0.00 O ATOM 0 H SER A 83 9.976 -3.597 21.806 1.00 0.00 H new ATOM 0 HA SER A 83 12.124 -3.209 23.559 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.489 -4.261 21.434 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.765 -2.928 20.556 1.00 0.00 H new ATOM 0 HG SER A 83 14.082 -2.871 20.485 1.00 0.00 H new ATOM 1320 N HIS A 84 11.027 -0.467 22.080 1.00 0.00 N ATOM 1321 CA HIS A 84 11.061 0.990 22.137 1.00 0.00 C ATOM 1322 C HIS A 84 10.687 1.488 23.530 1.00 0.00 C ATOM 1323 O HIS A 84 11.440 2.235 24.157 1.00 0.00 O ATOM 1324 CB HIS A 84 10.110 1.585 21.098 1.00 0.00 C ATOM 1325 CG HIS A 84 10.315 3.051 20.870 1.00 0.00 C ATOM 1326 ND1 HIS A 84 9.592 4.024 21.529 1.00 0.00 N ATOM 1327 CD2 HIS A 84 11.168 3.709 20.050 1.00 0.00 C ATOM 1328 CE1 HIS A 84 9.991 5.216 21.123 1.00 0.00 C ATOM 1329 NE2 HIS A 84 10.947 5.053 20.226 1.00 0.00 N ATOM 0 H HIS A 84 10.371 -0.847 21.397 1.00 0.00 H new ATOM 0 HA HIS A 84 12.078 1.314 21.915 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.240 1.057 20.153 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.082 1.416 21.419 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.888 3.260 19.382 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.602 6.163 21.466 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.441 5.803 19.743 1.00 0.00 H new ATOM 1337 N LEU A 85 9.521 1.069 24.010 1.00 0.00 N ATOM 1338 CA LEU A 85 9.047 1.473 25.329 1.00 0.00 C ATOM 1339 C LEU A 85 10.029 1.047 26.415 1.00 0.00 C ATOM 1340 O LEU A 85 10.094 1.657 27.482 1.00 0.00 O ATOM 1341 CB LEU A 85 7.670 0.866 25.605 1.00 0.00 C ATOM 1342 CG LEU A 85 6.606 1.829 26.135 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.547 2.089 25.076 1.00 0.00 C ATOM 1344 CD2 LEU A 85 5.971 1.276 27.403 1.00 0.00 C ATOM 0 H LEU A 85 8.887 0.450 23.505 1.00 0.00 H new ATOM 0 HA LEU A 85 8.968 2.560 25.342 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.300 0.420 24.682 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.790 0.056 26.325 1.00 0.00 H new ATOM 0 HG LEU A 85 7.088 2.776 26.377 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.799 2.776 25.471 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.014 2.529 24.195 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.068 1.149 24.802 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.217 1.974 27.766 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.503 0.316 27.187 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.738 1.142 28.166 1.00 0.00 H new ATOM 1356 N SER A 86 10.795 -0.003 26.134 1.00 0.00 N ATOM 1357 CA SER A 86 11.774 -0.512 27.088 1.00 0.00 C ATOM 1358 C SER A 86 12.738 0.590 27.517 1.00 0.00 C ATOM 1359 O SER A 86 13.045 0.736 28.700 1.00 0.00 O ATOM 1360 CB SER A 86 12.554 -1.678 26.477 1.00 0.00 C ATOM 1361 OG SER A 86 12.623 -2.772 27.375 1.00 0.00 O ATOM 0 H SER A 86 10.757 -0.517 25.254 1.00 0.00 H new ATOM 0 HA SER A 86 11.237 -0.865 27.969 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.075 -1.994 25.550 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.561 -1.351 26.220 1.00 0.00 H new ATOM 0 HG SER A 86 13.125 -3.504 26.960 1.00 0.00 H new ATOM 1367 N TYR A 87 13.211 1.364 26.546 1.00 0.00 N ATOM 1368 CA TYR A 87 14.142 2.452 26.822 1.00 0.00 C ATOM 1369 C TYR A 87 13.427 3.627 27.481 1.00 0.00 C ATOM 1370 O TYR A 87 13.820 4.085 28.555 1.00 0.00 O ATOM 1371 CB TYR A 87 14.819 2.912 25.529 1.00 0.00 C ATOM 1372 CG TYR A 87 15.644 4.168 25.692 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.697 4.219 26.596 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.371 5.304 24.940 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.454 5.365 26.749 1.00 0.00 C ATOM 1376 CE2 TYR A 87 16.123 6.454 25.085 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.163 6.480 25.990 1.00 0.00 C ATOM 1378 OH TYR A 87 17.914 7.623 26.138 1.00 0.00 O ATOM 0 H TYR A 87 12.965 1.258 25.562 1.00 0.00 H new ATOM 0 HA TYR A 87 14.902 2.081 27.510 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.460 2.112 25.160 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.056 3.085 24.770 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.928 3.347 27.190 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.557 5.288 24.230 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.268 5.388 27.458 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.897 7.328 24.492 1.00 0.00 H new ATOM 0 HH TYR A 87 17.580 8.315 25.530 1.00 0.00 H new ATOM 1388 N LEU A 88 12.375 4.111 26.831 1.00 0.00 N ATOM 1389 CA LEU A 88 11.602 5.232 27.353 1.00 0.00 C ATOM 1390 C LEU A 88 11.179 4.978 28.796 1.00 0.00 C ATOM 1391 O LEU A 88 11.110 5.903 29.606 1.00 0.00 O ATOM 1392 CB LEU A 88 10.367 5.476 26.483 1.00 0.00 C ATOM 1393 CG LEU A 88 10.610 6.207 25.163 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.294 5.289 24.161 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.300 6.735 24.597 1.00 0.00 C ATOM 0 H LEU A 88 12.037 3.745 25.941 1.00 0.00 H new ATOM 0 HA LEU A 88 12.236 6.119 27.330 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.907 4.513 26.262 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.645 6.049 27.065 1.00 0.00 H new ATOM 0 HG LEU A 88 11.268 7.054 25.356 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.459 5.827 23.228 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.252 4.960 24.564 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.662 4.421 23.973 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.492 7.253 23.657 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.618 5.903 24.420 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.850 7.428 25.308 1.00 0.00 H new