USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=19 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 73 THR OG1 : rot 50:sc= -3.37! USER MOD Set 1.2: A 77 ASN : amide:sc= -4.85! C(o=-8.2!,f=-10!) USER MOD Set 2.1: A 56 MET CE :methyl -160:sc= -2.81 (180deg=-4.79!) USER MOD Set 2.2: A 64 MET CE :methyl -144:sc= -1.9 (180deg=-6!) USER MOD Set 3.1: A 29 GLN : amide:sc= 0 X(o=-0.41,f=-0.08) USER MOD Set 3.2: A 55 ASN : amide:sc= -0.411 K(o=-0.41,f=-2.1) USER MOD Set 4.1: A 43 TYR OH : rot 130:sc= -0.454 USER MOD Set 4.2: A 84 HIS : no HD1:sc= -0.975 K(o=-1.4,f=0.53) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.211 USER MOD Single : A 31 HIS : no HD1:sc= -3.97! C(o=-4!,f=-3.9!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,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 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= -0.431 (180deg=-0.436) USER MOD Single : A 62 CYS SG : rot -34:sc= -1.39! USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= 0.638 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0591 X(o=-0.059,f=-0.29) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.0662) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 86:sc= 0.726 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -91:sc= 0.49 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.439 13.887 23.142 1.00 0.00 N ATOM 266 CA VAL A 20 5.181 13.071 24.323 1.00 0.00 C ATOM 267 C VAL A 20 6.360 13.114 25.289 1.00 0.00 C ATOM 268 O VAL A 20 7.503 13.359 24.901 1.00 0.00 O ATOM 269 CB VAL A 20 4.895 11.607 23.943 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.505 11.473 23.340 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.954 11.090 22.981 1.00 0.00 C ATOM 0 HA VAL A 20 4.300 13.490 24.810 1.00 0.00 H new ATOM 0 HB VAL A 20 4.932 11.001 24.848 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.321 10.431 23.078 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.761 11.801 24.065 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.436 12.090 22.444 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.736 10.054 22.723 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.951 11.698 22.076 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.934 11.148 23.454 1.00 0.00 H new ATOM 281 N PRO A 21 6.080 12.868 26.577 1.00 0.00 N ATOM 282 CA PRO A 21 7.105 12.871 27.625 1.00 0.00 C ATOM 283 C PRO A 21 8.059 11.687 27.505 1.00 0.00 C ATOM 284 O PRO A 21 7.833 10.773 26.713 1.00 0.00 O ATOM 285 CB PRO A 21 6.291 12.773 28.917 1.00 0.00 C ATOM 286 CG PRO A 21 5.019 12.110 28.515 1.00 0.00 C ATOM 287 CD PRO A 21 4.740 12.567 27.110 1.00 0.00 C ATOM 0 HA PRO A 21 7.741 13.755 27.572 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.818 12.192 29.674 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.106 13.759 29.344 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.113 11.025 28.561 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.205 12.388 29.185 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.240 11.793 26.527 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.094 13.445 27.094 1.00 0.00 H new ATOM 295 N ALA A 22 9.126 11.712 28.297 1.00 0.00 N ATOM 296 CA ALA A 22 10.114 10.640 28.282 1.00 0.00 C ATOM 297 C ALA A 22 9.476 9.301 28.639 1.00 0.00 C ATOM 298 O ALA A 22 9.227 8.469 27.767 1.00 0.00 O ATOM 299 CB ALA A 22 11.252 10.957 29.239 1.00 0.00 C ATOM 0 H ALA A 22 9.328 12.463 28.957 1.00 0.00 H new ATOM 0 HA ALA A 22 10.516 10.564 27.272 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.982 10.148 29.217 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.733 11.888 28.937 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.858 11.063 30.250 1.00 0.00 H new ATOM 305 N ASP A 23 9.216 9.100 29.926 1.00 0.00 N ATOM 306 CA ASP A 23 8.607 7.863 30.399 1.00 0.00 C ATOM 307 C ASP A 23 7.215 7.679 29.803 1.00 0.00 C ATOM 308 O ASP A 23 6.437 8.625 29.677 1.00 0.00 O ATOM 309 CB ASP A 23 8.525 7.861 31.927 1.00 0.00 C ATOM 310 CG ASP A 23 9.342 6.745 32.549 1.00 0.00 C ATOM 311 OD1 ASP A 23 10.539 6.970 32.827 1.00 0.00 O ATOM 312 OD2 ASP A 23 8.784 5.648 32.759 1.00 0.00 O ATOM 0 H ASP A 23 9.418 9.778 30.661 1.00 0.00 H new ATOM 0 HA ASP A 23 9.234 7.032 30.075 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.876 8.820 32.308 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.484 7.758 32.232 1.00 0.00 H new ATOM 317 N PRO A 24 6.893 6.433 29.425 1.00 0.00 N ATOM 318 CA PRO A 24 5.594 6.096 28.835 1.00 0.00 C ATOM 319 C PRO A 24 4.456 6.190 29.846 1.00 0.00 C ATOM 320 O PRO A 24 3.314 6.478 29.487 1.00 0.00 O ATOM 321 CB PRO A 24 5.779 4.649 28.371 1.00 0.00 C ATOM 322 CG PRO A 24 6.851 4.104 29.251 1.00 0.00 C ATOM 323 CD PRO A 24 7.771 5.257 29.546 1.00 0.00 C ATOM 0 HA PRO A 24 5.320 6.783 28.034 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.855 4.079 28.473 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.067 4.604 27.321 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.431 3.695 30.170 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.387 3.294 28.757 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.205 5.180 30.543 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.600 5.300 28.840 1.00 0.00 H new ATOM 331 N THR A 25 4.774 5.945 31.113 1.00 0.00 N ATOM 332 CA THR A 25 3.779 6.001 32.176 1.00 0.00 C ATOM 333 C THR A 25 3.140 7.382 32.259 1.00 0.00 C ATOM 334 O THR A 25 2.055 7.543 32.820 1.00 0.00 O ATOM 335 CB THR A 25 4.396 5.650 33.543 1.00 0.00 C ATOM 336 OG1 THR A 25 5.478 6.542 33.835 1.00 0.00 O ATOM 337 CG2 THR A 25 4.898 4.214 33.558 1.00 0.00 C ATOM 0 H THR A 25 5.714 5.706 31.428 1.00 0.00 H new ATOM 0 HA THR A 25 3.014 5.264 31.931 1.00 0.00 H new ATOM 0 HB THR A 25 3.623 5.755 34.304 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.864 6.314 34.706 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.329 3.990 34.534 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.067 3.536 33.364 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.658 4.086 32.787 1.00 0.00 H new ATOM 345 N LEU A 26 3.817 8.377 31.696 1.00 0.00 N ATOM 346 CA LEU A 26 3.314 9.746 31.705 1.00 0.00 C ATOM 347 C LEU A 26 2.421 10.006 30.497 1.00 0.00 C ATOM 348 O LEU A 26 1.992 11.136 30.262 1.00 0.00 O ATOM 349 CB LEU A 26 4.479 10.738 31.715 1.00 0.00 C ATOM 350 CG LEU A 26 5.598 10.449 32.717 1.00 0.00 C ATOM 351 CD1 LEU A 26 6.626 11.570 32.707 1.00 0.00 C ATOM 352 CD2 LEU A 26 5.026 10.260 34.115 1.00 0.00 C ATOM 0 H LEU A 26 4.716 8.261 31.228 1.00 0.00 H new ATOM 0 HA LEU A 26 2.720 9.883 32.609 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.913 10.769 30.715 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.082 11.732 31.921 1.00 0.00 H new ATOM 0 HG LEU A 26 6.095 9.525 32.421 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.414 11.347 33.426 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.058 11.658 31.710 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.143 12.509 32.978 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.836 10.055 34.815 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.503 11.167 34.420 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.328 9.423 34.113 1.00 0.00 H new ATOM 364 N TRP A 27 2.142 8.954 29.736 1.00 0.00 N ATOM 365 CA TRP A 27 1.297 9.068 28.553 1.00 0.00 C ATOM 366 C TRP A 27 -0.177 8.955 28.924 1.00 0.00 C ATOM 367 O TRP A 27 -0.589 8.005 29.591 1.00 0.00 O ATOM 368 CB TRP A 27 1.663 7.989 27.533 1.00 0.00 C ATOM 369 CG TRP A 27 3.021 8.181 26.927 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.839 9.264 27.076 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.716 7.264 26.075 1.00 0.00 C ATOM 372 NE1 TRP A 27 5.002 9.076 26.368 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.951 7.857 25.745 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.416 6.001 25.559 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.882 7.227 24.924 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.342 5.377 24.744 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.563 5.991 24.433 1.00 0.00 C ATOM 0 H TRP A 27 2.489 8.012 29.917 1.00 0.00 H new ATOM 0 HA TRP A 27 1.467 10.049 28.110 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.624 7.013 28.017 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.916 7.981 26.739 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.606 10.140 27.664 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.777 9.737 26.315 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.477 5.521 25.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.824 7.698 24.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.121 4.400 24.340 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.266 5.478 23.793 1.00 0.00 H new ATOM 388 N THR A 28 -0.970 9.929 28.489 1.00 0.00 N ATOM 389 CA THR A 28 -2.399 9.939 28.776 1.00 0.00 C ATOM 390 C THR A 28 -3.152 8.991 27.850 1.00 0.00 C ATOM 391 O THR A 28 -2.546 8.279 27.050 1.00 0.00 O ATOM 392 CB THR A 28 -2.991 11.354 28.637 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.129 11.693 27.253 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.107 12.380 29.330 1.00 0.00 C ATOM 0 H THR A 28 -0.646 10.722 27.936 1.00 0.00 H new ATOM 0 HA THR A 28 -2.517 9.605 29.807 1.00 0.00 H new ATOM 0 HB THR A 28 -3.972 11.363 29.112 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.508 12.593 27.173 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.545 13.372 29.219 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.027 12.135 30.389 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.115 12.369 28.879 1.00 0.00 H new ATOM 402 N GLN A 29 -4.477 8.990 27.963 1.00 0.00 N ATOM 403 CA GLN A 29 -5.312 8.129 27.134 1.00 0.00 C ATOM 404 C GLN A 29 -5.166 8.486 25.658 1.00 0.00 C ATOM 405 O GLN A 29 -5.525 7.700 24.782 1.00 0.00 O ATOM 406 CB GLN A 29 -6.778 8.246 27.556 1.00 0.00 C ATOM 407 CG GLN A 29 -7.441 6.906 27.830 1.00 0.00 C ATOM 408 CD GLN A 29 -8.925 7.035 28.109 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.752 6.910 27.205 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.272 7.287 29.366 1.00 0.00 N ATOM 0 H GLN A 29 -4.994 9.575 28.619 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.981 7.100 27.275 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.841 8.863 28.452 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.333 8.763 26.773 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.292 6.249 26.973 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.955 6.432 28.683 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.554 7.383 30.084 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.257 7.384 29.613 1.00 0.00 H new ATOM 419 N GLU A 30 -4.637 9.676 25.392 1.00 0.00 N ATOM 420 CA GLU A 30 -4.445 10.137 24.022 1.00 0.00 C ATOM 421 C GLU A 30 -3.023 9.855 23.548 1.00 0.00 C ATOM 422 O GLU A 30 -2.811 9.377 22.432 1.00 0.00 O ATOM 423 CB GLU A 30 -4.742 11.634 23.917 1.00 0.00 C ATOM 424 CG GLU A 30 -4.949 12.115 22.491 1.00 0.00 C ATOM 425 CD GLU A 30 -6.415 12.229 22.120 1.00 0.00 C ATOM 426 OE1 GLU A 30 -7.139 12.993 22.793 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.839 11.556 21.158 1.00 0.00 O ATOM 0 H GLU A 30 -4.334 10.338 26.106 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.138 9.591 23.382 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.634 11.861 24.501 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.919 12.191 24.364 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.470 13.086 22.366 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.457 11.426 21.804 1.00 0.00 H new ATOM 434 N HIS A 31 -2.050 10.154 24.402 1.00 0.00 N ATOM 435 CA HIS A 31 -0.646 9.934 24.072 1.00 0.00 C ATOM 436 C HIS A 31 -0.422 8.506 23.584 1.00 0.00 C ATOM 437 O HIS A 31 0.156 8.286 22.519 1.00 0.00 O ATOM 438 CB HIS A 31 0.236 10.214 25.288 1.00 0.00 C ATOM 439 CG HIS A 31 0.613 11.656 25.435 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.885 12.243 26.653 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.763 12.631 24.508 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.185 13.516 26.469 1.00 0.00 C ATOM 443 NE2 HIS A 31 1.119 13.777 25.176 1.00 0.00 N ATOM 0 H HIS A 31 -2.208 10.550 25.329 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.374 10.621 23.271 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.287 9.890 26.188 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.144 9.615 25.214 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.628 12.527 23.442 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.441 14.223 27.244 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.303 14.682 24.744 1.00 0.00 H new ATOM 451 N VAL A 32 -0.881 7.537 24.370 1.00 0.00 N ATOM 452 CA VAL A 32 -0.730 6.130 24.018 1.00 0.00 C ATOM 453 C VAL A 32 -1.207 5.866 22.594 1.00 0.00 C ATOM 454 O VAL A 32 -0.692 4.981 21.910 1.00 0.00 O ATOM 455 CB VAL A 32 -1.512 5.223 24.986 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.433 3.771 24.538 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.987 5.381 26.405 1.00 0.00 C ATOM 0 H VAL A 32 -1.361 7.701 25.255 1.00 0.00 H new ATOM 0 HA VAL A 32 0.332 5.897 24.091 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.559 5.525 24.975 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.991 3.145 25.234 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.860 3.674 23.540 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.391 3.452 24.519 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.551 4.733 27.076 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.067 5.106 26.436 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.101 6.418 26.722 1.00 0.00 H new ATOM 467 N ARG A 33 -2.193 6.640 22.153 1.00 0.00 N ATOM 468 CA ARG A 33 -2.740 6.489 20.810 1.00 0.00 C ATOM 469 C ARG A 33 -1.836 7.156 19.777 1.00 0.00 C ATOM 470 O ARG A 33 -1.565 6.589 18.718 1.00 0.00 O ATOM 471 CB ARG A 33 -4.145 7.091 20.738 1.00 0.00 C ATOM 472 CG ARG A 33 -5.100 6.535 21.782 1.00 0.00 C ATOM 473 CD ARG A 33 -6.536 6.948 21.499 1.00 0.00 C ATOM 474 NE ARG A 33 -7.044 7.883 22.499 1.00 0.00 N ATOM 475 CZ ARG A 33 -8.255 8.425 22.450 1.00 0.00 C ATOM 476 NH1 ARG A 33 -9.079 8.127 21.455 1.00 0.00 N ATOM 477 NH2 ARG A 33 -8.645 9.267 23.399 1.00 0.00 N ATOM 0 H ARG A 33 -2.629 7.378 22.706 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.796 5.424 20.585 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.075 8.172 20.861 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.559 6.909 19.746 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.030 5.447 21.799 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.806 6.889 22.770 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.593 7.407 20.512 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.170 6.062 21.476 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.435 8.133 23.278 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.783 7.480 20.724 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.009 8.545 21.420 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.014 9.498 24.167 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.575 9.683 23.361 1.00 0.00 H new ATOM 491 N GLN A 34 -1.374 8.361 20.092 1.00 0.00 N ATOM 492 CA GLN A 34 -0.502 9.104 19.190 1.00 0.00 C ATOM 493 C GLN A 34 0.811 8.361 18.967 1.00 0.00 C ATOM 494 O GLN A 34 1.216 8.127 17.828 1.00 0.00 O ATOM 495 CB GLN A 34 -0.223 10.500 19.751 1.00 0.00 C ATOM 496 CG GLN A 34 -1.167 11.568 19.223 1.00 0.00 C ATOM 497 CD GLN A 34 -0.902 12.932 19.829 1.00 0.00 C ATOM 498 OE1 GLN A 34 0.184 13.493 19.674 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.895 13.475 20.524 1.00 0.00 N ATOM 0 H GLN A 34 -1.589 8.844 20.965 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.011 9.201 18.231 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.297 10.467 20.838 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.802 10.781 19.509 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.069 11.631 18.139 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.196 11.275 19.433 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.778 12.975 20.627 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.774 14.392 20.955 1.00 0.00 H new ATOM 508 N TRP A 35 1.470 7.994 20.060 1.00 0.00 N ATOM 509 CA TRP A 35 2.738 7.277 19.983 1.00 0.00 C ATOM 510 C TRP A 35 2.600 6.016 19.137 1.00 0.00 C ATOM 511 O TRP A 35 3.517 5.645 18.404 1.00 0.00 O ATOM 512 CB TRP A 35 3.228 6.914 21.385 1.00 0.00 C ATOM 513 CG TRP A 35 4.365 5.938 21.383 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.676 6.207 21.112 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.291 4.536 21.663 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.422 5.057 21.206 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.596 4.018 21.544 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.251 3.668 22.005 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.884 2.672 21.754 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.538 2.332 22.212 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.846 1.845 22.087 1.00 0.00 C ATOM 0 H TRP A 35 1.148 8.181 21.010 1.00 0.00 H new ATOM 0 HA TRP A 35 3.469 7.932 19.509 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.540 7.823 21.900 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.399 6.494 21.954 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.069 7.181 20.861 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.428 4.988 21.049 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.240 4.035 22.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.891 2.294 21.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.741 1.652 22.474 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.039 0.796 22.257 1.00 0.00 H new ATOM 532 N LEU A 36 1.449 5.361 19.242 1.00 0.00 N ATOM 533 CA LEU A 36 1.191 4.141 18.485 1.00 0.00 C ATOM 534 C LEU A 36 1.212 4.415 16.985 1.00 0.00 C ATOM 535 O LEU A 36 2.027 3.853 16.254 1.00 0.00 O ATOM 536 CB LEU A 36 -0.159 3.544 18.887 1.00 0.00 C ATOM 537 CG LEU A 36 -0.234 2.018 18.923 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.638 1.467 20.041 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.675 1.558 19.094 1.00 0.00 C ATOM 0 H LEU A 36 0.680 5.654 19.844 1.00 0.00 H new ATOM 0 HA LEU A 36 1.981 3.426 18.716 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.422 3.924 19.874 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.916 3.909 18.193 1.00 0.00 H new ATOM 0 HG LEU A 36 0.140 1.633 17.974 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.572 0.379 20.051 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.673 1.766 19.876 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.295 1.860 20.998 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.709 0.469 19.117 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.075 1.954 20.028 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.275 1.922 18.259 1.00 0.00 H new ATOM 551 N GLU A 37 0.313 5.285 16.535 1.00 0.00 N ATOM 552 CA GLU A 37 0.231 5.635 15.121 1.00 0.00 C ATOM 553 C GLU A 37 1.577 6.135 14.605 1.00 0.00 C ATOM 554 O GLU A 37 1.875 6.031 13.415 1.00 0.00 O ATOM 555 CB GLU A 37 -0.842 6.703 14.899 1.00 0.00 C ATOM 556 CG GLU A 37 -2.173 6.375 15.554 1.00 0.00 C ATOM 557 CD GLU A 37 -3.357 6.710 14.669 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.541 7.902 14.348 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.101 5.778 14.296 1.00 0.00 O ATOM 0 H GLU A 37 -0.368 5.760 17.128 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.040 4.737 14.566 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.481 7.655 15.287 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.996 6.834 13.828 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.199 5.314 15.803 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.258 6.925 16.491 1.00 0.00 H new ATOM 566 N TRP A 38 2.386 6.677 15.509 1.00 0.00 N ATOM 567 CA TRP A 38 3.700 7.194 15.145 1.00 0.00 C ATOM 568 C TRP A 38 4.659 6.056 14.812 1.00 0.00 C ATOM 569 O TRP A 38 5.183 5.980 13.701 1.00 0.00 O ATOM 570 CB TRP A 38 4.270 8.041 16.284 1.00 0.00 C ATOM 571 CG TRP A 38 5.725 8.361 16.115 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.285 9.139 15.144 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.803 7.908 16.941 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.647 9.198 15.316 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.990 8.452 16.412 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.882 7.099 18.078 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.238 8.210 16.980 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.121 6.859 18.640 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.285 7.414 18.092 1.00 0.00 C ATOM 0 H TRP A 38 2.155 6.770 16.498 1.00 0.00 H new ATOM 0 HA TRP A 38 3.585 7.819 14.259 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.706 8.971 16.353 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.129 7.512 17.227 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.738 9.635 14.356 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.297 9.714 14.723 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.990 6.669 18.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.137 8.635 16.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.194 6.233 19.517 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.238 7.209 18.557 1.00 0.00 H new ATOM 590 N ALA A 39 4.885 5.175 15.780 1.00 0.00 N ATOM 591 CA ALA A 39 5.779 4.040 15.588 1.00 0.00 C ATOM 592 C ALA A 39 5.377 3.226 14.363 1.00 0.00 C ATOM 593 O ALA A 39 6.212 2.567 13.742 1.00 0.00 O ATOM 594 CB ALA A 39 5.790 3.160 16.829 1.00 0.00 C ATOM 0 H ALA A 39 4.461 5.225 16.706 1.00 0.00 H new ATOM 0 HA ALA A 39 6.785 4.426 15.421 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.462 2.316 16.671 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.133 3.742 17.685 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.783 2.790 17.022 1.00 0.00 H new ATOM 600 N ILE A 40 4.094 3.274 14.021 1.00 0.00 N ATOM 601 CA ILE A 40 3.582 2.541 12.870 1.00 0.00 C ATOM 602 C ILE A 40 4.020 3.193 11.563 1.00 0.00 C ATOM 603 O ILE A 40 4.690 2.571 10.739 1.00 0.00 O ATOM 604 CB ILE A 40 2.044 2.453 12.897 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.575 1.737 14.165 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.533 1.736 11.656 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.186 2.140 14.608 1.00 0.00 C ATOM 0 H ILE A 40 3.390 3.813 14.525 1.00 0.00 H new ATOM 0 HA ILE A 40 3.996 1.535 12.927 1.00 0.00 H new ATOM 0 HB ILE A 40 1.636 3.464 12.902 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.595 0.661 13.993 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.279 1.944 14.971 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.445 1.682 11.689 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.842 2.284 10.766 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.946 0.728 11.622 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.080 1.593 15.512 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.165 3.211 14.812 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.529 1.907 13.819 1.00 0.00 H new ATOM 619 N LYS A 41 3.638 4.453 11.381 1.00 0.00 N ATOM 620 CA LYS A 41 3.994 5.193 10.176 1.00 0.00 C ATOM 621 C LYS A 41 5.492 5.472 10.131 1.00 0.00 C ATOM 622 O LYS A 41 6.026 5.880 9.099 1.00 0.00 O ATOM 623 CB LYS A 41 3.217 6.510 10.114 1.00 0.00 C ATOM 624 CG LYS A 41 3.430 7.400 11.326 1.00 0.00 C ATOM 625 CD LYS A 41 4.570 8.381 11.104 1.00 0.00 C ATOM 626 CE LYS A 41 4.067 9.699 10.535 1.00 0.00 C ATOM 627 NZ LYS A 41 5.097 10.367 9.691 1.00 0.00 N ATOM 0 H LYS A 41 3.082 4.983 12.052 1.00 0.00 H new ATOM 0 HA LYS A 41 3.731 4.581 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.513 7.055 9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.154 6.291 10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.513 7.949 11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.644 6.783 12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.084 8.563 12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.300 7.944 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.171 9.520 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.781 10.362 11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.716 11.262 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.943 10.561 10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.352 9.745 8.897 1.00 0.00 H new ATOM 641 N GLU A 42 6.166 5.248 11.255 1.00 0.00 N ATOM 642 CA GLU A 42 7.603 5.476 11.342 1.00 0.00 C ATOM 643 C GLU A 42 8.376 4.193 11.047 1.00 0.00 C ATOM 644 O GLU A 42 9.291 4.182 10.223 1.00 0.00 O ATOM 645 CB GLU A 42 7.976 6.001 12.730 1.00 0.00 C ATOM 646 CG GLU A 42 9.458 6.297 12.891 1.00 0.00 C ATOM 647 CD GLU A 42 9.762 7.782 12.875 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.549 8.420 11.823 1.00 0.00 O ATOM 649 OE2 GLU A 42 10.212 8.307 13.915 1.00 0.00 O ATOM 0 H GLU A 42 5.740 4.909 12.117 1.00 0.00 H new ATOM 0 HA GLU A 42 7.872 6.223 10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.409 6.910 12.930 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.677 5.268 13.479 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.810 5.868 13.829 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.011 5.808 12.089 1.00 0.00 H new ATOM 656 N TYR A 43 8.001 3.115 11.726 1.00 0.00 N ATOM 657 CA TYR A 43 8.659 1.827 11.540 1.00 0.00 C ATOM 658 C TYR A 43 7.959 1.008 10.460 1.00 0.00 C ATOM 659 O TYR A 43 8.217 -0.186 10.306 1.00 0.00 O ATOM 660 CB TYR A 43 8.680 1.047 12.855 1.00 0.00 C ATOM 661 CG TYR A 43 9.213 1.843 14.024 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.345 2.639 13.890 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.585 1.802 15.263 1.00 0.00 C ATOM 664 CE1 TYR A 43 10.836 3.367 14.955 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.069 2.528 16.333 1.00 0.00 C ATOM 666 CZ TYR A 43 10.194 3.309 16.175 1.00 0.00 C ATOM 667 OH TYR A 43 10.680 4.035 17.239 1.00 0.00 O ATOM 0 H TYR A 43 7.245 3.107 12.410 1.00 0.00 H new ATOM 0 HA TYR A 43 9.684 2.014 11.220 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.668 0.713 13.085 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.290 0.153 12.727 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.849 2.689 12.936 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.703 1.192 15.391 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.718 3.979 14.834 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.569 2.484 17.289 1.00 0.00 H new ATOM 0 HH TYR A 43 9.951 4.548 17.646 1.00 0.00 H new ATOM 677 N SER A 44 7.073 1.660 9.714 1.00 0.00 N ATOM 678 CA SER A 44 6.332 0.992 8.650 1.00 0.00 C ATOM 679 C SER A 44 5.665 -0.279 9.166 1.00 0.00 C ATOM 680 O SER A 44 5.841 -1.360 8.602 1.00 0.00 O ATOM 681 CB SER A 44 7.264 0.655 7.484 1.00 0.00 C ATOM 682 OG SER A 44 7.681 1.829 6.809 1.00 0.00 O ATOM 0 H SER A 44 6.851 2.649 9.826 1.00 0.00 H new ATOM 0 HA SER A 44 5.555 1.672 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.136 0.116 7.855 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.753 -0.008 6.786 1.00 0.00 H new ATOM 0 HG SER A 44 8.277 1.587 6.070 1.00 0.00 H new ATOM 688 N LEU A 45 4.898 -0.141 10.243 1.00 0.00 N ATOM 689 CA LEU A 45 4.204 -1.278 10.837 1.00 0.00 C ATOM 690 C LEU A 45 2.831 -1.472 10.200 1.00 0.00 C ATOM 691 O LEU A 45 2.193 -0.510 9.774 1.00 0.00 O ATOM 692 CB LEU A 45 4.054 -1.077 12.346 1.00 0.00 C ATOM 693 CG LEU A 45 5.324 -0.676 13.099 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.064 -0.628 14.597 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.458 -1.639 12.783 1.00 0.00 C ATOM 0 H LEU A 45 4.742 0.746 10.722 1.00 0.00 H new ATOM 0 HA LEU A 45 4.799 -2.172 10.652 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.297 -0.312 12.517 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.675 -2.002 12.780 1.00 0.00 H new ATOM 0 HG LEU A 45 5.619 0.321 12.770 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.979 -0.341 15.116 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.283 0.103 14.807 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.744 -1.611 14.942 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.353 -1.338 13.327 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.173 -2.648 13.082 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.662 -1.622 11.712 1.00 0.00 H new ATOM 707 N MET A 46 2.383 -2.721 10.141 1.00 0.00 N ATOM 708 CA MET A 46 1.085 -3.040 9.559 1.00 0.00 C ATOM 709 C MET A 46 0.407 -4.170 10.328 1.00 0.00 C ATOM 710 O MET A 46 1.041 -4.853 11.131 1.00 0.00 O ATOM 711 CB MET A 46 1.243 -3.432 8.089 1.00 0.00 C ATOM 712 CG MET A 46 1.781 -2.311 7.215 1.00 0.00 C ATOM 713 SD MET A 46 0.982 -2.244 5.600 1.00 0.00 S ATOM 714 CE MET A 46 2.303 -1.570 4.596 1.00 0.00 C ATOM 0 H MET A 46 2.899 -3.529 10.489 1.00 0.00 H new ATOM 0 HA MET A 46 0.458 -2.151 9.625 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.913 -4.289 8.020 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.276 -3.752 7.701 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.640 -1.358 7.725 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.854 -2.444 7.080 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.962 -1.469 3.566 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.590 -0.591 4.981 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.163 -2.239 4.629 1.00 0.00 H new ATOM 724 N GLU A 47 -0.885 -4.359 10.078 1.00 0.00 N ATOM 725 CA GLU A 47 -1.648 -5.405 10.749 1.00 0.00 C ATOM 726 C GLU A 47 -1.708 -5.154 12.253 1.00 0.00 C ATOM 727 O GLU A 47 -1.818 -6.091 13.044 1.00 0.00 O ATOM 728 CB GLU A 47 -1.027 -6.776 10.473 1.00 0.00 C ATOM 729 CG GLU A 47 -0.662 -6.997 9.015 1.00 0.00 C ATOM 730 CD GLU A 47 -1.200 -8.306 8.471 1.00 0.00 C ATOM 731 OE1 GLU A 47 -2.352 -8.320 7.990 1.00 0.00 O ATOM 732 OE2 GLU A 47 -0.469 -9.317 8.527 1.00 0.00 O ATOM 0 H GLU A 47 -1.425 -3.802 9.416 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.664 -5.389 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.132 -6.889 11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.726 -7.552 10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.051 -6.172 8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.423 -6.983 8.910 1.00 0.00 H new ATOM 739 N ILE A 48 -1.635 -3.885 12.638 1.00 0.00 N ATOM 740 CA ILE A 48 -1.682 -3.511 14.047 1.00 0.00 C ATOM 741 C ILE A 48 -3.069 -3.011 14.437 1.00 0.00 C ATOM 742 O ILE A 48 -3.690 -2.239 13.706 1.00 0.00 O ATOM 743 CB ILE A 48 -0.645 -2.421 14.374 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.534 -2.230 15.889 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.020 -1.112 13.696 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.867 -1.906 16.356 1.00 0.00 C ATOM 0 H ILE A 48 -1.543 -3.098 11.995 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.448 -4.408 14.620 1.00 0.00 H new ATOM 0 HB ILE A 48 0.326 -2.739 13.994 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.205 -1.428 16.196 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.873 -3.138 16.387 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.277 -0.352 13.937 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.053 -1.258 12.616 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.999 -0.787 14.048 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.870 -1.784 17.439 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.539 -2.718 16.080 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.203 -0.982 15.886 1.00 0.00 H new ATOM 758 N ASP A 49 -3.548 -3.456 15.593 1.00 0.00 N ATOM 759 CA ASP A 49 -4.860 -3.052 16.083 1.00 0.00 C ATOM 760 C ASP A 49 -4.743 -1.871 17.042 1.00 0.00 C ATOM 761 O ASP A 49 -4.555 -2.050 18.246 1.00 0.00 O ATOM 762 CB ASP A 49 -5.551 -4.224 16.781 1.00 0.00 C ATOM 763 CG ASP A 49 -7.063 -4.124 16.721 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.632 -4.383 15.640 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.677 -3.787 17.755 1.00 0.00 O ATOM 0 H ASP A 49 -3.047 -4.097 16.208 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.460 -2.744 15.227 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.233 -5.158 16.317 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.233 -4.261 17.823 1.00 0.00 H new ATOM 770 N THR A 50 -4.854 -0.662 16.500 1.00 0.00 N ATOM 771 CA THR A 50 -4.758 0.548 17.306 1.00 0.00 C ATOM 772 C THR A 50 -5.929 0.658 18.276 1.00 0.00 C ATOM 773 O THR A 50 -5.799 1.226 19.360 1.00 0.00 O ATOM 774 CB THR A 50 -4.718 1.810 16.423 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.948 1.943 15.703 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.555 1.748 15.444 1.00 0.00 C ATOM 0 H THR A 50 -5.010 -0.495 15.506 1.00 0.00 H new ATOM 0 HA THR A 50 -3.828 0.478 17.870 1.00 0.00 H new ATOM 0 HB THR A 50 -4.582 2.676 17.071 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.915 2.748 15.146 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.547 2.649 14.831 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.618 1.676 15.996 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.666 0.874 14.802 1.00 0.00 H new ATOM 784 N SER A 51 -7.073 0.109 17.879 1.00 0.00 N ATOM 785 CA SER A 51 -8.269 0.148 18.713 1.00 0.00 C ATOM 786 C SER A 51 -7.990 -0.443 20.091 1.00 0.00 C ATOM 787 O SER A 51 -8.564 -0.012 21.092 1.00 0.00 O ATOM 788 CB SER A 51 -9.410 -0.616 18.039 1.00 0.00 C ATOM 789 OG SER A 51 -10.177 -1.332 18.993 1.00 0.00 O ATOM 0 H SER A 51 -7.197 -0.368 16.986 1.00 0.00 H new ATOM 0 HA SER A 51 -8.562 1.190 18.837 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.052 0.082 17.501 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.003 -1.308 17.301 1.00 0.00 H new ATOM 0 HG SER A 51 -10.901 -1.811 18.538 1.00 0.00 H new ATOM 795 N PHE A 52 -7.104 -1.432 20.136 1.00 0.00 N ATOM 796 CA PHE A 52 -6.748 -2.084 21.390 1.00 0.00 C ATOM 797 C PHE A 52 -6.194 -1.073 22.390 1.00 0.00 C ATOM 798 O PHE A 52 -6.237 -1.293 23.601 1.00 0.00 O ATOM 799 CB PHE A 52 -5.719 -3.189 21.142 1.00 0.00 C ATOM 800 CG PHE A 52 -5.858 -4.358 22.075 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.233 -4.353 23.311 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.614 -5.462 21.715 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.359 -5.428 24.171 1.00 0.00 C ATOM 804 CE2 PHE A 52 -6.744 -6.540 22.571 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.116 -6.522 23.800 1.00 0.00 C ATOM 0 H PHE A 52 -6.619 -1.800 19.317 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.652 -2.527 21.809 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.816 -3.541 20.115 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.717 -2.771 21.243 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.641 -3.500 23.606 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.107 -5.481 20.755 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.866 -5.412 25.132 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.336 -7.395 22.278 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.216 -7.362 24.471 1.00 0.00 H new ATOM 815 N PHE A 53 -5.673 0.035 21.875 1.00 0.00 N ATOM 816 CA PHE A 53 -5.108 1.080 22.721 1.00 0.00 C ATOM 817 C PHE A 53 -5.891 2.381 22.574 1.00 0.00 C ATOM 818 O PHE A 53 -5.378 3.462 22.864 1.00 0.00 O ATOM 819 CB PHE A 53 -3.638 1.314 22.367 1.00 0.00 C ATOM 820 CG PHE A 53 -2.839 0.046 22.256 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.823 -0.676 21.074 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.106 -0.423 23.334 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.089 -1.842 20.968 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.369 -1.588 23.233 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.362 -2.299 22.049 1.00 0.00 C ATOM 0 H PHE A 53 -5.630 0.233 20.875 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.177 0.750 23.758 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.582 1.854 21.422 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.187 1.953 23.126 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.391 -0.324 20.226 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.110 0.127 24.263 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.084 -2.395 20.040 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.799 -1.942 24.079 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.789 -3.211 21.969 1.00 0.00 H new ATOM 835 N GLN A 54 -7.136 2.268 22.122 1.00 0.00 N ATOM 836 CA GLN A 54 -7.990 3.435 21.936 1.00 0.00 C ATOM 837 C GLN A 54 -8.223 4.156 23.259 1.00 0.00 C ATOM 838 O GLN A 54 -8.414 5.371 23.290 1.00 0.00 O ATOM 839 CB GLN A 54 -9.329 3.021 21.324 1.00 0.00 C ATOM 840 CG GLN A 54 -10.228 2.260 22.285 1.00 0.00 C ATOM 841 CD GLN A 54 -11.596 1.972 21.700 1.00 0.00 C ATOM 842 OE1 GLN A 54 -12.189 2.818 21.029 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.107 0.772 21.951 1.00 0.00 N ATOM 0 H GLN A 54 -7.575 1.380 21.878 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.484 4.119 21.255 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.852 3.913 20.979 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.142 2.402 20.447 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.748 1.320 22.558 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.344 2.837 23.203 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.582 0.101 22.512 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.025 0.521 21.583 1.00 0.00 H new ATOM 852 N ASN A 55 -8.207 3.398 24.351 1.00 0.00 N ATOM 853 CA ASN A 55 -8.417 3.965 25.678 1.00 0.00 C ATOM 854 C ASN A 55 -7.450 3.358 26.689 1.00 0.00 C ATOM 855 O ASN A 55 -7.761 3.252 27.875 1.00 0.00 O ATOM 856 CB ASN A 55 -9.860 3.732 26.132 1.00 0.00 C ATOM 857 CG ASN A 55 -10.859 4.525 25.313 1.00 0.00 C ATOM 858 OD1 ASN A 55 -10.553 5.612 24.822 1.00 0.00 O ATOM 859 ND2 ASN A 55 -12.063 3.984 25.162 1.00 0.00 N ATOM 0 H ASN A 55 -8.051 2.390 24.343 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.229 5.037 25.621 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.095 2.670 26.057 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.956 4.006 27.182 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -12.777 4.472 24.621 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.273 3.081 25.587 1.00 0.00 H new ATOM 866 N MET A 56 -6.275 2.961 26.211 1.00 0.00 N ATOM 867 CA MET A 56 -5.261 2.366 27.074 1.00 0.00 C ATOM 868 C MET A 56 -4.298 3.428 27.594 1.00 0.00 C ATOM 869 O MET A 56 -3.392 3.861 26.881 1.00 0.00 O ATOM 870 CB MET A 56 -4.486 1.286 26.316 1.00 0.00 C ATOM 871 CG MET A 56 -3.493 0.529 27.183 1.00 0.00 C ATOM 872 SD MET A 56 -3.927 -1.209 27.381 1.00 0.00 S ATOM 873 CE MET A 56 -3.780 -1.790 25.693 1.00 0.00 C ATOM 0 H MET A 56 -6.002 3.040 25.232 1.00 0.00 H new ATOM 0 HA MET A 56 -5.766 1.911 27.926 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.193 0.578 25.885 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.952 1.748 25.486 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.500 0.603 26.740 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.440 1.000 28.164 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.340 -2.718 25.577 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.180 -1.038 25.013 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.730 -1.969 25.460 1.00 0.00 H new ATOM 883 N ASP A 57 -4.500 3.845 28.839 1.00 0.00 N ATOM 884 CA ASP A 57 -3.649 4.857 29.454 1.00 0.00 C ATOM 885 C ASP A 57 -2.196 4.395 29.492 1.00 0.00 C ATOM 886 O ASP A 57 -1.916 3.199 29.562 1.00 0.00 O ATOM 887 CB ASP A 57 -4.135 5.170 30.870 1.00 0.00 C ATOM 888 CG ASP A 57 -4.505 3.920 31.645 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.587 3.247 32.158 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.713 3.615 31.737 1.00 0.00 O ATOM 0 H ASP A 57 -5.246 3.498 29.442 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.708 5.762 28.850 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.355 5.710 31.408 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.001 5.830 30.816 1.00 0.00 H new ATOM 895 N GLY A 58 -1.274 5.352 29.444 1.00 0.00 N ATOM 896 CA GLY A 58 0.139 5.023 29.473 1.00 0.00 C ATOM 897 C GLY A 58 0.473 3.990 30.531 1.00 0.00 C ATOM 898 O GLY A 58 1.361 3.159 30.341 1.00 0.00 O ATOM 0 H GLY A 58 -1.481 6.349 29.386 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.442 4.648 28.495 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.716 5.929 29.659 1.00 0.00 H new ATOM 902 N LYS A 59 -0.240 4.042 31.652 1.00 0.00 N ATOM 903 CA LYS A 59 -0.016 3.105 32.746 1.00 0.00 C ATOM 904 C LYS A 59 -0.364 1.681 32.323 1.00 0.00 C ATOM 905 O LYS A 59 0.383 0.743 32.596 1.00 0.00 O ATOM 906 CB LYS A 59 -0.849 3.504 33.966 1.00 0.00 C ATOM 907 CG LYS A 59 -0.513 4.882 34.507 1.00 0.00 C ATOM 908 CD LYS A 59 0.448 4.801 35.681 1.00 0.00 C ATOM 909 CE LYS A 59 1.764 4.151 35.281 1.00 0.00 C ATOM 910 NZ LYS A 59 2.844 4.432 36.266 1.00 0.00 N ATOM 0 H LYS A 59 -0.978 4.724 31.826 1.00 0.00 H new ATOM 0 HA LYS A 59 1.041 3.139 33.009 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.905 3.475 33.699 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.699 2.767 34.755 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.071 5.487 33.715 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.429 5.385 34.819 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.638 5.803 36.067 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.010 4.230 36.489 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.625 3.074 35.193 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.065 4.515 34.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.720 3.958 35.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.007 5.458 36.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.561 4.077 37.202 1.00 0.00 H new ATOM 924 N GLU A 60 -1.502 1.529 31.653 1.00 0.00 N ATOM 925 CA GLU A 60 -1.948 0.220 31.192 1.00 0.00 C ATOM 926 C GLU A 60 -1.179 -0.209 29.946 1.00 0.00 C ATOM 927 O GLU A 60 -1.254 -1.363 29.522 1.00 0.00 O ATOM 928 CB GLU A 60 -3.449 0.242 30.896 1.00 0.00 C ATOM 929 CG GLU A 60 -4.315 0.286 32.144 1.00 0.00 C ATOM 930 CD GLU A 60 -4.717 -1.096 32.624 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.427 -1.799 31.875 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.322 -1.473 33.747 1.00 0.00 O ATOM 0 H GLU A 60 -2.132 2.296 31.418 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.752 -0.502 31.985 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.676 1.109 30.276 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.709 -0.642 30.314 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.774 0.800 32.939 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.212 0.871 31.939 1.00 0.00 H new ATOM 939 N LEU A 61 -0.440 0.728 29.362 1.00 0.00 N ATOM 940 CA LEU A 61 0.343 0.449 28.163 1.00 0.00 C ATOM 941 C LEU A 61 1.740 -0.042 28.528 1.00 0.00 C ATOM 942 O LEU A 61 2.313 -0.885 27.836 1.00 0.00 O ATOM 943 CB LEU A 61 0.442 1.702 27.292 1.00 0.00 C ATOM 944 CG LEU A 61 1.558 1.707 26.247 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.335 0.604 25.223 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.642 3.063 25.562 1.00 0.00 C ATOM 0 H LEU A 61 -0.367 1.688 29.699 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.164 -0.337 27.602 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.510 1.839 26.779 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.579 2.564 27.945 1.00 0.00 H new ATOM 0 HG LEU A 61 2.505 1.519 26.754 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.139 0.623 24.487 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.326 -0.363 25.726 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.380 0.761 24.721 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.442 3.048 24.822 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.695 3.281 25.069 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.850 3.833 26.305 1.00 0.00 H new ATOM 958 N CYS A 62 2.282 0.489 29.618 1.00 0.00 N ATOM 959 CA CYS A 62 3.612 0.103 30.076 1.00 0.00 C ATOM 960 C CYS A 62 3.565 -1.221 30.831 1.00 0.00 C ATOM 961 O CYS A 62 4.594 -1.861 31.050 1.00 0.00 O ATOM 962 CB CYS A 62 4.202 1.194 30.971 1.00 0.00 C ATOM 963 SG CYS A 62 3.423 1.315 32.598 1.00 0.00 S ATOM 0 H CYS A 62 1.821 1.188 30.201 1.00 0.00 H new ATOM 0 HA CYS A 62 4.249 -0.022 29.200 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.267 1.004 31.103 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.110 2.154 30.464 1.00 0.00 H new ATOM 0 HG CYS A 62 2.157 1.040 32.494 1.00 0.00 H new ATOM 969 N LYS A 63 2.364 -1.626 31.230 1.00 0.00 N ATOM 970 CA LYS A 63 2.180 -2.874 31.961 1.00 0.00 C ATOM 971 C LYS A 63 1.948 -4.038 31.003 1.00 0.00 C ATOM 972 O LYS A 63 2.221 -5.191 31.334 1.00 0.00 O ATOM 973 CB LYS A 63 1.001 -2.753 32.929 1.00 0.00 C ATOM 974 CG LYS A 63 -0.354 -2.791 32.244 1.00 0.00 C ATOM 975 CD LYS A 63 -1.490 -2.743 33.253 1.00 0.00 C ATOM 976 CE LYS A 63 -1.846 -4.133 33.758 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.305 -4.271 34.017 1.00 0.00 N ATOM 0 H LYS A 63 1.503 -1.107 31.059 1.00 0.00 H new ATOM 0 HA LYS A 63 3.090 -3.070 32.529 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.054 -3.563 33.656 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.092 -1.820 33.485 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.440 -1.948 31.558 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.435 -3.699 31.646 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.205 -2.111 34.094 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.367 -2.286 32.794 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.535 -4.877 33.024 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.293 -4.339 34.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.452 -4.701 34.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.752 -3.332 33.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.732 -4.876 33.287 1.00 0.00 H new ATOM 991 N MET A 64 1.442 -3.727 29.814 1.00 0.00 N ATOM 992 CA MET A 64 1.176 -4.747 28.806 1.00 0.00 C ATOM 993 C MET A 64 2.407 -5.618 28.576 1.00 0.00 C ATOM 994 O MET A 64 3.538 -5.169 28.754 1.00 0.00 O ATOM 995 CB MET A 64 0.745 -4.096 27.491 1.00 0.00 C ATOM 996 CG MET A 64 -0.647 -3.487 27.542 1.00 0.00 C ATOM 997 SD MET A 64 -1.857 -4.439 26.605 1.00 0.00 S ATOM 998 CE MET A 64 -1.128 -4.397 24.969 1.00 0.00 C ATOM 0 H MET A 64 1.208 -2.777 29.525 1.00 0.00 H new ATOM 0 HA MET A 64 0.367 -5.380 29.171 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.463 -3.319 27.227 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.777 -4.843 26.698 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.971 -3.417 28.580 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.609 -2.470 27.151 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.918 -4.332 24.220 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.475 -3.528 24.884 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.547 -5.305 24.806 1.00 0.00 H new ATOM 1008 N ASN A 65 2.178 -6.866 28.180 1.00 0.00 N ATOM 1009 CA ASN A 65 3.269 -7.800 27.926 1.00 0.00 C ATOM 1010 C ASN A 65 3.249 -8.279 26.478 1.00 0.00 C ATOM 1011 O ASN A 65 2.366 -7.912 25.703 1.00 0.00 O ATOM 1012 CB ASN A 65 3.172 -8.998 28.873 1.00 0.00 C ATOM 1013 CG ASN A 65 2.606 -8.620 30.228 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.164 -7.780 30.934 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.493 -9.242 30.598 1.00 0.00 N ATOM 0 H ASN A 65 1.247 -7.254 28.028 1.00 0.00 H new ATOM 0 HA ASN A 65 4.210 -7.279 28.104 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.543 -9.765 28.421 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.162 -9.434 29.005 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.066 -9.030 31.500 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.065 -9.932 29.980 1.00 0.00 H new ATOM 1022 N LYS A 66 4.229 -9.101 26.119 1.00 0.00 N ATOM 1023 CA LYS A 66 4.325 -9.633 24.765 1.00 0.00 C ATOM 1024 C LYS A 66 3.006 -10.265 24.334 1.00 0.00 C ATOM 1025 O LYS A 66 2.576 -10.106 23.192 1.00 0.00 O ATOM 1026 CB LYS A 66 5.450 -10.668 24.680 1.00 0.00 C ATOM 1027 CG LYS A 66 5.680 -11.202 23.277 1.00 0.00 C ATOM 1028 CD LYS A 66 7.009 -10.729 22.711 1.00 0.00 C ATOM 1029 CE LYS A 66 7.268 -11.317 21.332 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.280 -12.409 21.377 1.00 0.00 N ATOM 0 H LYS A 66 4.969 -9.414 26.748 1.00 0.00 H new ATOM 0 HA LYS A 66 4.549 -8.806 24.092 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.374 -10.219 25.045 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.217 -11.501 25.343 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.658 -12.292 23.293 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.869 -10.876 22.625 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.013 -9.641 22.650 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.816 -11.014 23.387 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.335 -11.703 20.920 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.612 -10.530 20.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.201 -12.991 20.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.233 -11.997 21.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.113 -13.003 22.214 1.00 0.00 H new ATOM 1044 N GLU A 67 2.367 -10.979 25.255 1.00 0.00 N ATOM 1045 CA GLU A 67 1.096 -11.633 24.968 1.00 0.00 C ATOM 1046 C GLU A 67 0.003 -10.603 24.699 1.00 0.00 C ATOM 1047 O GLU A 67 -0.603 -10.592 23.627 1.00 0.00 O ATOM 1048 CB GLU A 67 0.686 -12.534 26.135 1.00 0.00 C ATOM 1049 CG GLU A 67 0.662 -14.012 25.784 1.00 0.00 C ATOM 1050 CD GLU A 67 -0.678 -14.460 25.234 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -1.310 -13.673 24.498 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -1.094 -15.597 25.539 1.00 0.00 O ATOM 0 H GLU A 67 2.708 -11.119 26.206 1.00 0.00 H new ATOM 0 HA GLU A 67 1.224 -12.243 24.074 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.376 -12.377 26.964 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.303 -12.236 26.483 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.440 -14.220 25.049 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.899 -14.596 26.673 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.243 -9.741 25.678 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.263 -8.706 25.548 1.00 0.00 C ATOM 1061 C ASP A 68 -1.030 -7.869 24.294 1.00 0.00 C ATOM 1062 O ASP A 68 -1.975 -7.372 23.682 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.267 -7.806 26.784 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.203 -8.596 28.076 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.713 -9.736 28.101 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.643 -8.075 29.063 1.00 0.00 O ATOM 0 H ASP A 68 0.250 -9.738 26.571 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.233 -9.195 25.462 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.418 -7.124 26.736 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.168 -7.193 26.781 1.00 0.00 H new ATOM 1071 N PHE A 69 0.236 -7.715 23.918 1.00 0.00 N ATOM 1072 CA PHE A 69 0.594 -6.936 22.739 1.00 0.00 C ATOM 1073 C PHE A 69 0.366 -7.743 21.464 1.00 0.00 C ATOM 1074 O PHE A 69 -0.044 -7.201 20.437 1.00 0.00 O ATOM 1075 CB PHE A 69 2.056 -6.491 22.820 1.00 0.00 C ATOM 1076 CG PHE A 69 2.233 -5.116 23.398 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.814 -3.996 22.697 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.817 -4.943 24.642 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.977 -2.730 23.226 1.00 0.00 C ATOM 1080 CE2 PHE A 69 2.981 -3.679 25.177 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.560 -2.571 24.468 1.00 0.00 C ATOM 0 H PHE A 69 1.031 -8.120 24.413 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.046 -6.054 22.709 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.612 -7.206 23.427 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.491 -6.515 21.821 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.355 -4.114 21.727 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.148 -5.806 25.201 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.649 -1.865 22.669 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.438 -3.558 26.148 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.686 -1.582 24.884 1.00 0.00 H new ATOM 1091 N LEU A 70 0.635 -9.042 21.537 1.00 0.00 N ATOM 1092 CA LEU A 70 0.460 -9.925 20.390 1.00 0.00 C ATOM 1093 C LEU A 70 -1.018 -10.106 20.061 1.00 0.00 C ATOM 1094 O LEU A 70 -1.373 -10.513 18.955 1.00 0.00 O ATOM 1095 CB LEU A 70 1.103 -11.286 20.666 1.00 0.00 C ATOM 1096 CG LEU A 70 2.494 -11.505 20.070 1.00 0.00 C ATOM 1097 CD1 LEU A 70 3.043 -12.862 20.480 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.450 -11.381 18.554 1.00 0.00 C ATOM 0 H LEU A 70 0.975 -9.507 22.379 1.00 0.00 H new ATOM 0 HA LEU A 70 0.950 -9.465 19.532 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.167 -11.423 21.745 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.440 -12.063 20.285 1.00 0.00 H new ATOM 0 HG LEU A 70 3.160 -10.735 20.458 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.033 -13.000 20.046 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.112 -12.913 21.567 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.377 -13.647 20.121 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.449 -11.540 18.147 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.769 -12.129 18.147 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.101 -10.385 18.280 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.876 -9.798 21.029 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.316 -9.925 20.843 1.00 0.00 C ATOM 1112 C ARG A 71 -3.882 -8.702 20.127 1.00 0.00 C ATOM 1113 O ARG A 71 -5.087 -8.607 19.898 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.012 -10.107 22.192 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.710 -11.438 22.860 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.771 -11.801 23.886 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.693 -13.205 24.282 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.387 -13.724 25.288 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.207 -12.960 25.997 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.263 -15.011 25.587 1.00 0.00 N ATOM 0 H ARG A 71 -1.598 -9.459 21.950 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.501 -10.804 20.225 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.710 -9.299 22.859 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.089 -10.018 22.050 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.651 -12.221 22.104 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.735 -11.390 23.345 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.655 -11.169 24.767 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.759 -11.595 23.474 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.071 -13.820 23.757 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.306 -11.970 25.770 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.739 -13.362 26.769 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.634 -15.602 25.044 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.797 -15.409 26.360 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.003 -7.768 19.777 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.414 -6.552 19.086 1.00 0.00 C ATOM 1136 C ALA A 72 -2.521 -6.277 17.881 1.00 0.00 C ATOM 1137 O ALA A 72 -2.995 -5.846 16.829 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.392 -5.369 20.043 1.00 0.00 C ATOM 0 H ALA A 72 -2.002 -7.831 19.961 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.433 -6.695 18.725 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.701 -4.467 19.514 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.077 -5.557 20.870 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.383 -5.234 20.431 1.00 0.00 H new ATOM 1144 N THR A 73 -1.226 -6.529 18.040 1.00 0.00 N ATOM 1145 CA THR A 73 -0.266 -6.306 16.966 1.00 0.00 C ATOM 1146 C THR A 73 0.506 -7.581 16.645 1.00 0.00 C ATOM 1147 O THR A 73 0.627 -8.474 17.484 1.00 0.00 O ATOM 1148 CB THR A 73 0.733 -5.191 17.327 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.416 -4.745 16.150 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.745 -5.682 18.351 1.00 0.00 C ATOM 0 H THR A 73 -0.817 -6.888 18.903 1.00 0.00 H new ATOM 0 HA THR A 73 -0.838 -6.001 16.090 1.00 0.00 H new ATOM 0 HB THR A 73 0.176 -4.360 17.760 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.762 -4.549 15.447 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.440 -4.877 18.590 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.224 -5.993 19.257 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.297 -6.528 17.941 1.00 0.00 H new ATOM 1158 N THR A 74 1.028 -7.660 15.425 1.00 0.00 N ATOM 1159 CA THR A 74 1.789 -8.826 14.993 1.00 0.00 C ATOM 1160 C THR A 74 3.047 -9.004 15.835 1.00 0.00 C ATOM 1161 O THR A 74 3.460 -8.093 16.554 1.00 0.00 O ATOM 1162 CB THR A 74 2.188 -8.718 13.510 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.885 -9.902 13.103 1.00 0.00 O ATOM 1164 CG2 THR A 74 3.068 -7.500 13.273 1.00 0.00 C ATOM 0 H THR A 74 0.938 -6.930 14.718 1.00 0.00 H new ATOM 0 HA THR A 74 1.142 -9.693 15.125 1.00 0.00 H new ATOM 0 HB THR A 74 1.278 -8.610 12.919 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.134 -9.827 12.158 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.337 -7.445 12.218 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.525 -6.598 13.556 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.973 -7.583 13.874 1.00 0.00 H new ATOM 1172 N LEU A 75 3.653 -10.182 15.742 1.00 0.00 N ATOM 1173 CA LEU A 75 4.867 -10.480 16.495 1.00 0.00 C ATOM 1174 C LEU A 75 5.970 -9.480 16.167 1.00 0.00 C ATOM 1175 O LEU A 75 6.577 -8.893 17.064 1.00 0.00 O ATOM 1176 CB LEU A 75 5.344 -11.901 16.191 1.00 0.00 C ATOM 1177 CG LEU A 75 6.768 -12.240 16.632 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.890 -12.166 18.146 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.168 -13.620 16.130 1.00 0.00 C ATOM 0 H LEU A 75 3.324 -10.947 15.153 1.00 0.00 H new ATOM 0 HA LEU A 75 4.635 -10.401 17.557 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.660 -12.602 16.669 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.269 -12.066 15.116 1.00 0.00 H new ATOM 0 HG LEU A 75 7.447 -11.506 16.197 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.910 -12.410 18.441 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.647 -11.158 18.482 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.200 -12.877 18.602 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.184 -13.844 16.453 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.485 -14.367 16.535 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.121 -13.639 15.041 1.00 0.00 H new ATOM 1191 N TYR A 76 6.224 -9.288 14.877 1.00 0.00 N ATOM 1192 CA TYR A 76 7.255 -8.359 14.431 1.00 0.00 C ATOM 1193 C TYR A 76 7.107 -7.008 15.124 1.00 0.00 C ATOM 1194 O TYR A 76 8.061 -6.485 15.698 1.00 0.00 O ATOM 1195 CB TYR A 76 7.184 -8.177 12.914 1.00 0.00 C ATOM 1196 CG TYR A 76 8.261 -7.271 12.361 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.152 -5.889 12.459 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.389 -7.797 11.743 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.133 -5.058 11.956 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.376 -6.972 11.238 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.243 -5.604 11.346 1.00 0.00 C ATOM 1202 OH TYR A 76 11.223 -4.779 10.844 1.00 0.00 O ATOM 0 H TYR A 76 5.730 -9.764 14.122 1.00 0.00 H new ATOM 0 HA TYR A 76 8.226 -8.778 14.695 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.261 -9.153 12.436 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.208 -7.770 12.651 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.285 -5.458 12.937 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.496 -8.868 11.656 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.032 -3.986 12.040 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.247 -7.397 10.761 1.00 0.00 H new ATOM 0 HH TYR A 76 11.936 -5.322 10.448 1.00 0.00 H new ATOM 1212 N ASN A 77 5.903 -6.449 15.065 1.00 0.00 N ATOM 1213 CA ASN A 77 5.629 -5.158 15.687 1.00 0.00 C ATOM 1214 C ASN A 77 5.733 -5.253 17.206 1.00 0.00 C ATOM 1215 O ASN A 77 6.178 -4.315 17.869 1.00 0.00 O ATOM 1216 CB ASN A 77 4.236 -4.663 15.290 1.00 0.00 C ATOM 1217 CG ASN A 77 4.120 -4.398 13.801 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.123 -4.329 13.091 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.890 -4.248 13.322 1.00 0.00 N ATOM 0 H ASN A 77 5.102 -6.869 14.593 1.00 0.00 H new ATOM 0 HA ASN A 77 6.375 -4.446 15.333 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.493 -5.404 15.584 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.008 -3.749 15.838 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.748 -4.068 12.328 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.087 -4.313 13.948 1.00 0.00 H new ATOM 1226 N THR A 78 5.320 -6.393 17.752 1.00 0.00 N ATOM 1227 CA THR A 78 5.366 -6.611 19.192 1.00 0.00 C ATOM 1228 C THR A 78 6.785 -6.453 19.727 1.00 0.00 C ATOM 1229 O THR A 78 6.987 -6.001 20.854 1.00 0.00 O ATOM 1230 CB THR A 78 4.842 -8.010 19.566 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.477 -8.147 19.154 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.950 -8.246 21.065 1.00 0.00 C ATOM 0 H THR A 78 4.950 -7.179 17.218 1.00 0.00 H new ATOM 0 HA THR A 78 4.723 -5.857 19.646 1.00 0.00 H new ATOM 0 HB THR A 78 5.453 -8.752 19.053 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.445 -8.446 18.221 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.574 -9.241 21.305 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.993 -8.169 21.371 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.360 -7.498 21.595 1.00 0.00 H new ATOM 1240 N GLU A 79 7.765 -6.828 18.911 1.00 0.00 N ATOM 1241 CA GLU A 79 9.166 -6.728 19.304 1.00 0.00 C ATOM 1242 C GLU A 79 9.636 -5.277 19.278 1.00 0.00 C ATOM 1243 O GLU A 79 10.385 -4.839 20.152 1.00 0.00 O ATOM 1244 CB GLU A 79 10.041 -7.575 18.377 1.00 0.00 C ATOM 1245 CG GLU A 79 10.022 -9.058 18.710 1.00 0.00 C ATOM 1246 CD GLU A 79 11.397 -9.692 18.627 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.199 -9.257 17.774 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.670 -10.622 19.413 1.00 0.00 O ATOM 0 H GLU A 79 7.615 -7.203 17.975 1.00 0.00 H new ATOM 0 HA GLU A 79 9.258 -7.104 20.323 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.706 -7.438 17.349 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.068 -7.213 18.429 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.622 -9.196 19.715 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.347 -9.572 18.025 1.00 0.00 H new ATOM 1255 N VAL A 80 9.190 -4.534 18.269 1.00 0.00 N ATOM 1256 CA VAL A 80 9.564 -3.132 18.129 1.00 0.00 C ATOM 1257 C VAL A 80 9.014 -2.299 19.281 1.00 0.00 C ATOM 1258 O VAL A 80 9.768 -1.651 20.008 1.00 0.00 O ATOM 1259 CB VAL A 80 9.056 -2.546 16.798 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.358 -1.058 16.719 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.672 -3.287 15.621 1.00 0.00 C ATOM 0 H VAL A 80 8.570 -4.880 17.537 1.00 0.00 H new ATOM 0 HA VAL A 80 10.653 -3.092 18.143 1.00 0.00 H new ATOM 0 HB VAL A 80 7.975 -2.675 16.754 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.992 -0.662 15.772 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.865 -0.542 17.543 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.435 -0.901 16.786 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.302 -2.860 14.689 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.757 -3.192 15.659 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.398 -4.341 15.671 1.00 0.00 H new ATOM 1271 N LEU A 81 7.696 -2.320 19.443 1.00 0.00 N ATOM 1272 CA LEU A 81 7.043 -1.566 20.508 1.00 0.00 C ATOM 1273 C LEU A 81 7.683 -1.868 21.859 1.00 0.00 C ATOM 1274 O LEU A 81 8.139 -0.963 22.559 1.00 0.00 O ATOM 1275 CB LEU A 81 5.550 -1.897 20.552 1.00 0.00 C ATOM 1276 CG LEU A 81 4.756 -1.585 19.284 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.292 -1.955 19.466 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.894 -0.115 18.916 1.00 0.00 C ATOM 0 H LEU A 81 7.058 -2.851 18.850 1.00 0.00 H new ATOM 0 HA LEU A 81 7.167 -0.504 20.297 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.440 -2.959 20.773 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.101 -1.350 21.381 1.00 0.00 H new ATOM 0 HG LEU A 81 5.162 -2.183 18.468 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.743 -1.726 18.553 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.210 -3.020 19.681 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.873 -1.384 20.295 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.322 0.089 18.011 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.515 0.501 19.731 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.944 0.120 18.742 1.00 0.00 H new ATOM 1290 N LEU A 82 7.716 -3.146 22.220 1.00 0.00 N ATOM 1291 CA LEU A 82 8.303 -3.569 23.487 1.00 0.00 C ATOM 1292 C LEU A 82 9.718 -3.021 23.641 1.00 0.00 C ATOM 1293 O LEU A 82 10.066 -2.456 24.678 1.00 0.00 O ATOM 1294 CB LEU A 82 8.323 -5.096 23.578 1.00 0.00 C ATOM 1295 CG LEU A 82 7.111 -5.744 24.249 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.100 -5.441 25.739 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.821 -5.266 23.597 1.00 0.00 C ATOM 0 H LEU A 82 7.343 -3.908 21.653 1.00 0.00 H new ATOM 0 HA LEU A 82 7.689 -3.171 24.295 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.413 -5.499 22.569 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.218 -5.396 24.123 1.00 0.00 H new ATOM 0 HG LEU A 82 7.183 -6.824 24.119 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.230 -5.910 26.199 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.008 -5.833 26.197 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.053 -4.363 25.891 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.969 -5.737 24.087 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.743 -4.183 23.696 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.826 -5.535 22.541 1.00 0.00 H new ATOM 1309 N SER A 83 10.529 -3.190 22.602 1.00 0.00 N ATOM 1310 CA SER A 83 11.907 -2.713 22.623 1.00 0.00 C ATOM 1311 C SER A 83 11.957 -1.204 22.843 1.00 0.00 C ATOM 1312 O SER A 83 12.729 -0.710 23.665 1.00 0.00 O ATOM 1313 CB SER A 83 12.614 -3.073 21.315 1.00 0.00 C ATOM 1314 OG SER A 83 13.282 -4.318 21.421 1.00 0.00 O ATOM 0 H SER A 83 10.256 -3.653 21.735 1.00 0.00 H new ATOM 0 HA SER A 83 12.421 -3.200 23.451 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.886 -3.115 20.505 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.331 -2.293 21.059 1.00 0.00 H new ATOM 0 HG SER A 83 13.724 -4.525 20.571 1.00 0.00 H new ATOM 1320 N HIS A 84 11.128 -0.477 22.101 1.00 0.00 N ATOM 1321 CA HIS A 84 11.076 0.976 22.215 1.00 0.00 C ATOM 1322 C HIS A 84 10.707 1.398 23.634 1.00 0.00 C ATOM 1323 O HIS A 84 11.460 2.115 24.295 1.00 0.00 O ATOM 1324 CB HIS A 84 10.065 1.551 21.221 1.00 0.00 C ATOM 1325 CG HIS A 84 10.250 3.013 20.956 1.00 0.00 C ATOM 1326 ND1 HIS A 84 9.552 3.994 21.628 1.00 0.00 N ATOM 1327 CD2 HIS A 84 11.063 3.660 20.088 1.00 0.00 C ATOM 1328 CE1 HIS A 84 9.925 5.180 21.183 1.00 0.00 C ATOM 1329 NE2 HIS A 84 10.842 5.005 20.248 1.00 0.00 N ATOM 0 H HIS A 84 10.484 -0.870 21.415 1.00 0.00 H new ATOM 0 HA HIS A 84 12.066 1.369 21.984 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.144 1.007 20.280 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.058 1.384 21.602 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.757 3.203 19.398 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.545 6.131 21.525 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.310 5.749 19.729 1.00 0.00 H new ATOM 1337 N LEU A 85 9.546 0.949 24.097 1.00 0.00 N ATOM 1338 CA LEU A 85 9.077 1.280 25.438 1.00 0.00 C ATOM 1339 C LEU A 85 10.091 0.846 26.492 1.00 0.00 C ATOM 1340 O LEU A 85 10.163 1.427 27.575 1.00 0.00 O ATOM 1341 CB LEU A 85 7.728 0.612 25.707 1.00 0.00 C ATOM 1342 CG LEU A 85 6.651 1.501 26.331 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.567 1.821 25.314 1.00 0.00 C ATOM 1344 CD2 LEU A 85 6.052 0.830 27.559 1.00 0.00 C ATOM 0 H LEU A 85 8.912 0.354 23.564 1.00 0.00 H new ATOM 0 HA LEU A 85 8.958 2.362 25.498 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.346 0.219 24.765 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.893 -0.241 26.365 1.00 0.00 H new ATOM 0 HG LEU A 85 7.115 2.437 26.642 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.810 2.454 25.776 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.008 2.343 24.465 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.105 0.895 24.971 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.288 1.476 27.990 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.603 -0.121 27.272 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.836 0.653 28.296 1.00 0.00 H new ATOM 1356 N SER A 86 10.875 -0.177 26.166 1.00 0.00 N ATOM 1357 CA SER A 86 11.884 -0.689 27.085 1.00 0.00 C ATOM 1358 C SER A 86 12.826 0.424 27.533 1.00 0.00 C ATOM 1359 O SER A 86 13.144 0.544 28.716 1.00 0.00 O ATOM 1360 CB SER A 86 12.683 -1.813 26.423 1.00 0.00 C ATOM 1361 OG SER A 86 13.986 -1.377 26.075 1.00 0.00 O ATOM 0 H SER A 86 10.831 -0.667 25.273 1.00 0.00 H new ATOM 0 HA SER A 86 11.373 -1.084 27.963 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.750 -2.664 27.101 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.161 -2.157 25.530 1.00 0.00 H new ATOM 0 HG SER A 86 13.978 -1.019 25.163 1.00 0.00 H new ATOM 1367 N TYR A 87 13.269 1.235 26.579 1.00 0.00 N ATOM 1368 CA TYR A 87 14.177 2.338 26.874 1.00 0.00 C ATOM 1369 C TYR A 87 13.439 3.482 27.562 1.00 0.00 C ATOM 1370 O TYR A 87 13.827 3.926 28.643 1.00 0.00 O ATOM 1371 CB TYR A 87 14.836 2.841 25.588 1.00 0.00 C ATOM 1372 CG TYR A 87 15.636 4.110 25.775 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.721 4.150 26.641 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.307 5.270 25.083 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.454 5.307 26.815 1.00 0.00 C ATOM 1376 CE2 TYR A 87 16.035 6.432 25.250 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.108 6.446 26.117 1.00 0.00 C ATOM 1378 OH TYR A 87 17.836 7.601 26.286 1.00 0.00 O ATOM 0 H TYR A 87 13.014 1.150 25.595 1.00 0.00 H new ATOM 0 HA TYR A 87 14.949 1.969 27.550 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.491 2.063 25.197 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.064 3.015 24.838 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.996 3.260 27.188 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.468 5.263 24.403 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.294 5.321 27.494 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.766 7.325 24.705 1.00 0.00 H new ATOM 0 HH TYR A 87 17.462 8.309 25.721 1.00 0.00 H new ATOM 1388 N LEU A 88 12.372 3.955 26.927 1.00 0.00 N ATOM 1389 CA LEU A 88 11.577 5.048 27.477 1.00 0.00 C ATOM 1390 C LEU A 88 11.174 4.756 28.919 1.00 0.00 C ATOM 1391 O LEU A 88 11.071 5.666 29.742 1.00 0.00 O ATOM 1392 CB LEU A 88 10.329 5.277 26.623 1.00 0.00 C ATOM 1393 CG LEU A 88 10.541 6.047 25.319 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.274 5.184 24.303 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.208 6.520 24.756 1.00 0.00 C ATOM 0 H LEU A 88 12.038 3.599 26.032 1.00 0.00 H new ATOM 0 HA LEU A 88 12.188 5.951 27.466 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.895 4.307 26.382 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.595 5.814 27.224 1.00 0.00 H new ATOM 0 HG LEU A 88 11.154 6.923 25.532 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.416 5.748 23.381 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.245 4.895 24.705 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.687 4.290 24.094 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.378 7.066 23.828 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.570 5.658 24.558 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.720 7.175 25.478 1.00 0.00 H new