USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 50:sc= -3.68! USER MOD Set 1.2: A 77 ASN : amide:sc= -5.11! C(o=-8.8!,f=-11!) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -112:sc= -0.102 (180deg=-0.894) USER MOD Set 2.2: A 62 CYS SG : rot -36:sc= -1.16! USER MOD Set 3.1: A 56 MET CE :methyl -156:sc= -2.9 (180deg=-4.72!) USER MOD Set 3.2: A 64 MET CE :methyl -143:sc= -1.36 (180deg=-4.97!) USER MOD Set 4.1: A 29 GLN : amide:sc= -0.151 K(o=-0.32,f=-1.6) USER MOD Set 4.2: A 55 ASN : amide:sc= -0.174 X(o=-0.32,f=-0.61) USER MOD Set 5.1: A 43 TYR OH : rot -136:sc= 0.666 USER MOD Set 5.2: A 84 HIS :FLIP no HD1:sc= -0.107 F(o=-1.3,f=0.56) USER MOD Single : A 25 THR OG1 : rot -95:sc= 0.437 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 31 HIS : no HD1:sc= -4.23! C(o=-4.2!,f=-4.2!) USER MOD Single : A 34 GLN : amide:sc=-0.00105 K(o=-0.001,f=-1) 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=-0.071) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= 0.113 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.3!) USER MOD Single : A 66 LYS NZ :NH3+ -117:sc= -0.0427 (180deg=-1.91!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 86:sc= 0.801 USER MOD Single : A 83 SER OG : rot 93:sc= 0.0163 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 5.249 13.769 23.025 1.00 0.00 N ATOM 266 CA VAL A 20 5.052 12.971 24.229 1.00 0.00 C ATOM 267 C VAL A 20 6.260 13.065 25.155 1.00 0.00 C ATOM 268 O VAL A 20 7.382 13.334 24.726 1.00 0.00 O ATOM 269 CB VAL A 20 4.797 11.491 23.886 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.414 11.314 23.279 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.872 10.970 22.944 1.00 0.00 C ATOM 0 HA VAL A 20 4.176 13.375 24.736 1.00 0.00 H new ATOM 0 HB VAL A 20 4.840 10.910 24.807 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.252 10.262 23.043 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.659 11.647 23.991 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.338 11.906 22.367 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.676 9.923 22.712 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.863 11.553 22.023 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.848 11.060 23.421 1.00 0.00 H new ATOM 281 N PRO A 21 6.027 12.839 26.456 1.00 0.00 N ATOM 282 CA PRO A 21 7.084 12.892 27.470 1.00 0.00 C ATOM 283 C PRO A 21 8.067 11.734 27.344 1.00 0.00 C ATOM 284 O PRO A 21 7.923 10.877 26.473 1.00 0.00 O ATOM 285 CB PRO A 21 6.314 12.799 28.790 1.00 0.00 C ATOM 286 CG PRO A 21 5.049 12.093 28.442 1.00 0.00 C ATOM 287 CD PRO A 21 4.714 12.513 27.037 1.00 0.00 C ATOM 0 HA PRO A 21 7.692 13.792 27.378 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.881 12.249 29.541 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.115 13.788 29.203 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.175 11.012 28.507 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.249 12.363 29.131 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.218 11.714 26.486 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.044 13.373 27.024 1.00 0.00 H new ATOM 295 N ALA A 22 9.067 11.714 28.220 1.00 0.00 N ATOM 296 CA ALA A 22 10.073 10.659 28.207 1.00 0.00 C ATOM 297 C ALA A 22 9.457 9.310 28.560 1.00 0.00 C ATOM 298 O ALA A 22 9.226 8.474 27.686 1.00 0.00 O ATOM 299 CB ALA A 22 11.201 10.995 29.171 1.00 0.00 C ATOM 0 H ALA A 22 9.202 12.416 28.947 1.00 0.00 H new ATOM 0 HA ALA A 22 10.480 10.590 27.198 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.945 10.199 29.152 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.666 11.935 28.873 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.800 11.093 30.180 1.00 0.00 H new ATOM 305 N ASP A 23 9.194 9.103 29.846 1.00 0.00 N ATOM 306 CA ASP A 23 8.604 7.854 30.314 1.00 0.00 C ATOM 307 C ASP A 23 7.208 7.660 29.732 1.00 0.00 C ATOM 308 O ASP A 23 6.431 8.605 29.589 1.00 0.00 O ATOM 309 CB ASP A 23 8.539 7.838 31.842 1.00 0.00 C ATOM 310 CG ASP A 23 9.062 6.542 32.430 1.00 0.00 C ATOM 311 OD1 ASP A 23 10.224 6.186 32.141 1.00 0.00 O ATOM 312 OD2 ASP A 23 8.310 5.883 33.178 1.00 0.00 O ATOM 0 H ASP A 23 9.380 9.784 30.583 1.00 0.00 H new ATOM 0 HA ASP A 23 9.236 7.033 29.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.119 8.673 32.236 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.507 7.988 32.161 1.00 0.00 H new ATOM 317 N PRO A 24 6.880 6.407 29.385 1.00 0.00 N ATOM 318 CA PRO A 24 5.576 6.059 28.812 1.00 0.00 C ATOM 319 C PRO A 24 4.445 6.179 29.827 1.00 0.00 C ATOM 320 O PRO A 24 3.305 6.477 29.471 1.00 0.00 O ATOM 321 CB PRO A 24 5.755 4.602 28.380 1.00 0.00 C ATOM 322 CG PRO A 24 6.832 4.074 29.265 1.00 0.00 C ATOM 323 CD PRO A 24 7.756 5.232 29.527 1.00 0.00 C ATOM 0 HA PRO A 24 5.298 6.728 27.998 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.831 4.037 28.501 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.036 4.532 27.329 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.418 3.687 30.196 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.363 3.251 28.786 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.196 5.177 30.523 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.581 5.257 28.815 1.00 0.00 H new ATOM 331 N THR A 25 4.768 5.945 31.096 1.00 0.00 N ATOM 332 CA THR A 25 3.779 6.026 32.164 1.00 0.00 C ATOM 333 C THR A 25 3.151 7.414 32.227 1.00 0.00 C ATOM 334 O THR A 25 2.067 7.591 32.786 1.00 0.00 O ATOM 335 CB THR A 25 4.402 5.695 33.533 1.00 0.00 C ATOM 336 OG1 THR A 25 5.478 6.597 33.812 1.00 0.00 O ATOM 337 CG2 THR A 25 4.914 4.262 33.562 1.00 0.00 C ATOM 0 H THR A 25 5.707 5.698 31.409 1.00 0.00 H new ATOM 0 HA THR A 25 3.007 5.290 31.937 1.00 0.00 H new ATOM 0 HB THR A 25 3.630 5.804 34.295 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.326 6.189 33.538 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.350 4.051 34.539 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.087 3.576 33.378 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.673 4.131 32.790 1.00 0.00 H new ATOM 345 N LEU A 26 3.835 8.395 31.650 1.00 0.00 N ATOM 346 CA LEU A 26 3.343 9.768 31.640 1.00 0.00 C ATOM 347 C LEU A 26 2.455 10.019 30.425 1.00 0.00 C ATOM 348 O LEU A 26 2.072 11.156 30.149 1.00 0.00 O ATOM 349 CB LEU A 26 4.515 10.751 31.641 1.00 0.00 C ATOM 350 CG LEU A 26 5.619 10.478 32.662 1.00 0.00 C ATOM 351 CD1 LEU A 26 6.662 11.584 32.631 1.00 0.00 C ATOM 352 CD2 LEU A 26 5.031 10.337 34.059 1.00 0.00 C ATOM 0 H LEU A 26 4.732 8.265 31.183 1.00 0.00 H new ATOM 0 HA LEU A 26 2.748 9.921 32.540 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.961 10.755 30.646 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.123 11.752 31.819 1.00 0.00 H new ATOM 0 HG LEU A 26 6.107 9.540 32.398 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.439 11.372 33.365 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.106 11.638 31.637 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.189 12.537 32.869 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.832 10.143 34.773 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.517 11.259 34.332 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.323 9.508 34.074 1.00 0.00 H new ATOM 364 N TRP A 27 2.130 8.952 29.705 1.00 0.00 N ATOM 365 CA TRP A 27 1.285 9.056 28.521 1.00 0.00 C ATOM 366 C TRP A 27 -0.190 8.954 28.894 1.00 0.00 C ATOM 367 O TRP A 27 -0.608 8.005 29.559 1.00 0.00 O ATOM 368 CB TRP A 27 1.646 7.964 27.513 1.00 0.00 C ATOM 369 CG TRP A 27 3.006 8.140 26.908 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.842 9.208 27.067 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.685 7.222 26.045 1.00 0.00 C ATOM 372 NE1 TRP A 27 5.000 9.009 26.355 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.929 7.798 25.720 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.365 5.968 25.517 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.849 7.162 24.890 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.279 5.339 24.693 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.509 5.936 24.387 1.00 0.00 C ATOM 0 H TRP A 27 2.439 8.004 29.920 1.00 0.00 H new ATOM 0 HA TRP A 27 1.459 10.031 28.066 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.599 6.994 28.007 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.901 7.953 26.717 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.625 10.081 27.665 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.785 9.658 26.307 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.420 5.499 25.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.797 7.621 24.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.041 4.371 24.278 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.203 5.418 23.741 1.00 0.00 H new ATOM 388 N THR A 28 -0.975 9.936 28.463 1.00 0.00 N ATOM 389 CA THR A 28 -2.403 9.956 28.752 1.00 0.00 C ATOM 390 C THR A 28 -3.165 9.014 27.827 1.00 0.00 C ATOM 391 O THR A 28 -2.566 8.304 27.021 1.00 0.00 O ATOM 392 CB THR A 28 -2.984 11.376 28.613 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.111 11.720 27.229 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.099 12.394 29.315 1.00 0.00 C ATOM 0 H THR A 28 -0.645 10.729 27.912 1.00 0.00 H new ATOM 0 HA THR A 28 -2.522 9.622 29.783 1.00 0.00 H new ATOM 0 HB THR A 28 -3.968 11.390 29.082 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.483 12.623 27.149 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.530 13.389 29.203 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.029 12.146 30.374 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.103 12.378 28.872 1.00 0.00 H new ATOM 402 N GLN A 29 -4.489 9.015 27.950 1.00 0.00 N ATOM 403 CA GLN A 29 -5.332 8.159 27.123 1.00 0.00 C ATOM 404 C GLN A 29 -5.195 8.522 25.648 1.00 0.00 C ATOM 405 O GLN A 29 -5.566 7.742 24.771 1.00 0.00 O ATOM 406 CB GLN A 29 -6.794 8.277 27.556 1.00 0.00 C ATOM 407 CG GLN A 29 -7.455 6.938 27.839 1.00 0.00 C ATOM 408 CD GLN A 29 -8.936 7.068 28.133 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.727 7.415 27.255 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.321 6.790 29.373 1.00 0.00 N ATOM 0 H GLN A 29 -5.000 9.598 28.613 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.003 7.129 27.257 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.850 8.897 28.451 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.355 8.792 26.776 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.315 6.280 26.981 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.960 6.465 28.687 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.632 6.506 30.069 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.306 6.860 29.629 1.00 0.00 H new ATOM 419 N GLU A 30 -4.662 9.710 25.383 1.00 0.00 N ATOM 420 CA GLU A 30 -4.478 10.175 24.013 1.00 0.00 C ATOM 421 C GLU A 30 -3.061 9.886 23.525 1.00 0.00 C ATOM 422 O GLU A 30 -2.861 9.440 22.395 1.00 0.00 O ATOM 423 CB GLU A 30 -4.765 11.675 23.917 1.00 0.00 C ATOM 424 CG GLU A 30 -4.691 12.220 22.501 1.00 0.00 C ATOM 425 CD GLU A 30 -6.008 12.096 21.759 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.990 11.623 22.367 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.055 12.472 20.569 1.00 0.00 O ATOM 0 H GLU A 30 -4.350 10.368 26.098 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.180 9.636 23.377 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.757 11.873 24.322 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.052 12.213 24.542 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.394 13.268 22.534 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.916 11.687 21.950 1.00 0.00 H new ATOM 434 N HIS A 31 -2.081 10.143 24.386 1.00 0.00 N ATOM 435 CA HIS A 31 -0.683 9.910 24.043 1.00 0.00 C ATOM 436 C HIS A 31 -0.472 8.477 23.563 1.00 0.00 C ATOM 437 O HIS A 31 0.094 8.247 22.494 1.00 0.00 O ATOM 438 CB HIS A 31 0.213 10.192 25.250 1.00 0.00 C ATOM 439 CG HIS A 31 0.597 11.634 25.387 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.893 12.222 26.598 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.735 12.605 24.454 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.194 13.494 26.406 1.00 0.00 C ATOM 443 NE2 HIS A 31 1.106 13.752 25.113 1.00 0.00 N ATOM 0 H HIS A 31 -2.229 10.512 25.325 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.415 10.589 23.233 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.302 9.874 26.157 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.118 9.590 25.169 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.582 12.498 23.390 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.466 14.202 27.175 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.285 14.656 24.675 1.00 0.00 H new ATOM 451 N VAL A 32 -0.931 7.517 24.360 1.00 0.00 N ATOM 452 CA VAL A 32 -0.794 6.107 24.015 1.00 0.00 C ATOM 453 C VAL A 32 -1.283 5.837 22.597 1.00 0.00 C ATOM 454 O VAL A 32 -0.781 4.944 21.916 1.00 0.00 O ATOM 455 CB VAL A 32 -1.574 5.212 24.995 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.536 3.761 24.540 1.00 0.00 C ATOM 457 CG2 VAL A 32 -1.017 5.352 26.404 1.00 0.00 C ATOM 0 H VAL A 32 -1.401 7.690 25.249 1.00 0.00 H new ATOM 0 HA VAL A 32 0.267 5.867 24.081 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.614 5.537 25.006 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.093 3.144 25.245 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.986 3.678 23.551 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.502 3.420 24.497 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.580 4.712 27.083 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.032 5.055 26.412 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.103 6.389 26.728 1.00 0.00 H new ATOM 467 N ARG A 33 -2.267 6.616 22.158 1.00 0.00 N ATOM 468 CA ARG A 33 -2.825 6.461 20.821 1.00 0.00 C ATOM 469 C ARG A 33 -1.929 7.121 19.777 1.00 0.00 C ATOM 470 O ARG A 33 -1.649 6.540 18.729 1.00 0.00 O ATOM 471 CB ARG A 33 -4.229 7.065 20.758 1.00 0.00 C ATOM 472 CG ARG A 33 -5.252 6.316 21.596 1.00 0.00 C ATOM 473 CD ARG A 33 -6.654 6.459 21.024 1.00 0.00 C ATOM 474 NE ARG A 33 -6.781 5.811 19.721 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.946 5.592 19.120 1.00 0.00 C ATOM 476 NH1 ARG A 33 -9.076 5.969 19.701 1.00 0.00 N ATOM 477 NH2 ARG A 33 -7.980 4.997 17.935 1.00 0.00 N ATOM 0 H ARG A 33 -2.694 7.361 22.709 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.885 5.395 20.602 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.185 8.101 21.094 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.563 7.080 19.720 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.983 5.261 21.643 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.234 6.695 22.618 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.375 6.025 21.717 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.901 7.516 20.929 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.929 5.510 19.247 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.053 6.428 20.611 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.969 5.800 19.238 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.112 4.707 17.485 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.874 4.829 17.474 1.00 0.00 H new ATOM 491 N GLN A 34 -1.483 8.338 20.072 1.00 0.00 N ATOM 492 CA GLN A 34 -0.619 9.077 19.159 1.00 0.00 C ATOM 493 C GLN A 34 0.695 8.337 18.933 1.00 0.00 C ATOM 494 O GLN A 34 1.105 8.114 17.794 1.00 0.00 O ATOM 495 CB GLN A 34 -0.342 10.478 19.707 1.00 0.00 C ATOM 496 CG GLN A 34 -1.361 11.516 19.266 1.00 0.00 C ATOM 497 CD GLN A 34 -1.170 12.852 19.958 1.00 0.00 C ATOM 498 OE1 GLN A 34 -0.686 12.915 21.088 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.551 13.929 19.281 1.00 0.00 N ATOM 0 H GLN A 34 -1.706 8.833 20.936 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.134 9.164 18.202 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.326 10.436 20.796 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.650 10.795 19.386 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.288 11.656 18.187 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.365 11.145 19.472 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.947 13.830 18.346 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.447 14.855 19.696 1.00 0.00 H new ATOM 508 N TRP A 35 1.350 7.960 20.025 1.00 0.00 N ATOM 509 CA TRP A 35 2.619 7.245 19.946 1.00 0.00 C ATOM 510 C TRP A 35 2.489 5.999 19.077 1.00 0.00 C ATOM 511 O TRP A 35 3.418 5.633 18.357 1.00 0.00 O ATOM 512 CB TRP A 35 3.098 6.857 21.346 1.00 0.00 C ATOM 513 CG TRP A 35 4.250 5.899 21.336 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.556 6.190 21.060 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.199 4.495 21.612 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.320 5.051 21.148 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.511 3.998 21.486 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.174 3.610 21.956 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.821 2.656 21.690 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.483 2.278 22.158 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.798 1.812 22.025 1.00 0.00 C ATOM 0 H TRP A 35 1.024 8.137 20.975 1.00 0.00 H new ATOM 0 HA TRP A 35 3.353 7.909 19.489 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.389 7.758 21.885 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.269 6.411 21.895 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.933 7.171 20.810 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.326 4.998 20.988 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.158 3.961 22.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.833 2.294 21.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.698 1.585 22.423 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.008 0.766 22.190 1.00 0.00 H new ATOM 532 N LEU A 36 1.331 5.352 19.149 1.00 0.00 N ATOM 533 CA LEU A 36 1.079 4.146 18.367 1.00 0.00 C ATOM 534 C LEU A 36 1.143 4.442 16.872 1.00 0.00 C ATOM 535 O LEU A 36 1.989 3.905 16.159 1.00 0.00 O ATOM 536 CB LEU A 36 -0.288 3.559 18.725 1.00 0.00 C ATOM 537 CG LEU A 36 -0.355 2.036 18.840 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.505 1.549 19.996 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.795 1.577 19.014 1.00 0.00 C ATOM 0 H LEU A 36 0.552 5.642 19.740 1.00 0.00 H new ATOM 0 HA LEU A 36 1.854 3.418 18.607 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.609 3.989 19.674 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.007 3.878 17.971 1.00 0.00 H new ATOM 0 HG LEU A 36 0.034 1.604 17.918 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.445 0.463 20.062 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.541 1.845 19.829 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.147 1.989 20.927 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.823 0.490 19.094 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.211 2.019 19.920 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.384 1.893 18.153 1.00 0.00 H new ATOM 551 N GLU A 37 0.243 5.303 16.406 1.00 0.00 N ATOM 552 CA GLU A 37 0.199 5.671 14.996 1.00 0.00 C ATOM 553 C GLU A 37 1.556 6.187 14.526 1.00 0.00 C ATOM 554 O GLU A 37 1.894 6.088 13.346 1.00 0.00 O ATOM 555 CB GLU A 37 -0.874 6.736 14.758 1.00 0.00 C ATOM 556 CG GLU A 37 -2.261 6.316 15.216 1.00 0.00 C ATOM 557 CD GLU A 37 -3.363 6.928 14.374 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.795 8.057 14.692 1.00 0.00 O ATOM 559 OE2 GLU A 37 -3.795 6.280 13.398 1.00 0.00 O ATOM 0 H GLU A 37 -0.464 5.758 16.984 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.050 4.779 14.421 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.589 7.649 15.280 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.908 6.974 13.695 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.339 5.230 15.176 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.400 6.608 16.257 1.00 0.00 H new ATOM 566 N TRP A 38 2.328 6.736 15.456 1.00 0.00 N ATOM 567 CA TRP A 38 3.648 7.268 15.137 1.00 0.00 C ATOM 568 C TRP A 38 4.621 6.143 14.801 1.00 0.00 C ATOM 569 O TRP A 38 5.124 6.059 13.681 1.00 0.00 O ATOM 570 CB TRP A 38 4.185 8.091 16.308 1.00 0.00 C ATOM 571 CG TRP A 38 5.642 8.422 16.184 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.213 9.282 15.290 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.711 7.895 16.977 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.574 9.323 15.481 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.904 8.481 16.510 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.777 6.988 18.037 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.146 8.187 17.067 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.010 6.696 18.589 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.180 7.295 18.104 1.00 0.00 C ATOM 0 H TRP A 38 2.063 6.825 16.437 1.00 0.00 H new ATOM 0 HA TRP A 38 3.552 7.913 14.263 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.615 9.017 16.384 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.023 7.540 17.234 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.675 9.847 14.543 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.231 9.889 14.944 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.880 6.523 18.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.049 8.646 16.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.073 5.994 19.408 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.128 7.048 18.558 1.00 0.00 H new ATOM 590 N ALA A 39 4.883 5.281 15.778 1.00 0.00 N ATOM 591 CA ALA A 39 5.794 4.160 15.585 1.00 0.00 C ATOM 592 C ALA A 39 5.427 3.364 14.337 1.00 0.00 C ATOM 593 O ALA A 39 6.294 2.777 13.687 1.00 0.00 O ATOM 594 CB ALA A 39 5.789 3.258 16.810 1.00 0.00 C ATOM 0 H ALA A 39 4.477 5.338 16.712 1.00 0.00 H new ATOM 0 HA ALA A 39 6.799 4.560 15.447 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.474 2.425 16.651 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.107 3.828 17.683 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.782 2.874 16.975 1.00 0.00 H new ATOM 600 N ILE A 40 4.140 3.346 14.010 1.00 0.00 N ATOM 601 CA ILE A 40 3.660 2.621 12.840 1.00 0.00 C ATOM 602 C ILE A 40 4.110 3.299 11.550 1.00 0.00 C ATOM 603 O ILE A 40 4.637 2.652 10.646 1.00 0.00 O ATOM 604 CB ILE A 40 2.124 2.508 12.838 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.644 1.770 14.090 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.646 1.796 11.581 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.239 2.142 14.509 1.00 0.00 C ATOM 0 H ILE A 40 3.411 3.825 14.538 1.00 0.00 H new ATOM 0 HA ILE A 40 4.090 1.621 12.891 1.00 0.00 H new ATOM 0 HB ILE A 40 1.701 3.512 12.846 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.688 0.696 13.908 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.328 1.982 14.912 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.558 1.724 11.595 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.961 2.358 10.702 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.075 0.795 11.544 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.035 1.581 15.403 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.194 3.210 14.723 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.456 1.904 13.704 1.00 0.00 H new ATOM 619 N LYS A 41 3.899 4.609 11.473 1.00 0.00 N ATOM 620 CA LYS A 41 4.285 5.378 10.295 1.00 0.00 C ATOM 621 C LYS A 41 5.798 5.569 10.242 1.00 0.00 C ATOM 622 O LYS A 41 6.356 5.878 9.190 1.00 0.00 O ATOM 623 CB LYS A 41 3.589 6.741 10.300 1.00 0.00 C ATOM 624 CG LYS A 41 4.033 7.647 11.435 1.00 0.00 C ATOM 625 CD LYS A 41 3.538 9.070 11.238 1.00 0.00 C ATOM 626 CE LYS A 41 4.694 10.040 11.047 1.00 0.00 C ATOM 627 NZ LYS A 41 5.099 10.145 9.618 1.00 0.00 N ATOM 0 H LYS A 41 3.463 5.160 12.212 1.00 0.00 H new ATOM 0 HA LYS A 41 3.975 4.821 9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.781 7.241 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.512 6.589 10.368 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.657 7.258 12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.121 7.645 11.499 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.880 9.111 10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.946 9.373 12.101 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.407 11.024 11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.546 9.712 11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.889 10.815 9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.397 9.211 9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.294 10.483 9.053 1.00 0.00 H new ATOM 641 N GLU A 42 6.454 5.381 11.383 1.00 0.00 N ATOM 642 CA GLU A 42 7.902 5.532 11.464 1.00 0.00 C ATOM 643 C GLU A 42 8.607 4.229 11.098 1.00 0.00 C ATOM 644 O GLU A 42 9.461 4.200 10.212 1.00 0.00 O ATOM 645 CB GLU A 42 8.313 5.969 12.871 1.00 0.00 C ATOM 646 CG GLU A 42 9.789 6.312 12.996 1.00 0.00 C ATOM 647 CD GLU A 42 10.051 7.802 12.904 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.215 8.585 13.402 1.00 0.00 O ATOM 649 OE2 GLU A 42 11.094 8.186 12.334 1.00 0.00 O ATOM 0 H GLU A 42 6.006 5.124 12.263 1.00 0.00 H new ATOM 0 HA GLU A 42 8.202 6.300 10.750 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.721 6.838 13.160 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.073 5.172 13.574 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.166 5.939 13.948 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.345 5.800 12.211 1.00 0.00 H new ATOM 656 N TYR A 43 8.242 3.153 11.786 1.00 0.00 N ATOM 657 CA TYR A 43 8.840 1.847 11.537 1.00 0.00 C ATOM 658 C TYR A 43 8.062 1.086 10.468 1.00 0.00 C ATOM 659 O TYR A 43 8.314 -0.093 10.221 1.00 0.00 O ATOM 660 CB TYR A 43 8.887 1.029 12.828 1.00 0.00 C ATOM 661 CG TYR A 43 9.443 1.793 14.009 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.734 2.305 13.984 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.677 2.002 15.149 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.246 3.003 15.061 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.180 2.700 16.230 1.00 0.00 C ATOM 666 CZ TYR A 43 10.465 3.198 16.181 1.00 0.00 C ATOM 667 OH TYR A 43 10.971 3.893 17.256 1.00 0.00 O ATOM 0 H TYR A 43 7.535 3.160 12.521 1.00 0.00 H new ATOM 0 HA TYR A 43 9.857 2.005 11.178 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.880 0.687 13.068 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.495 0.139 12.663 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.348 2.155 13.108 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.671 1.612 15.191 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.252 3.394 15.026 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.571 2.855 17.108 1.00 0.00 H new ATOM 0 HH TYR A 43 10.734 3.430 18.086 1.00 0.00 H new ATOM 677 N SER A 44 7.114 1.771 9.835 1.00 0.00 N ATOM 678 CA SER A 44 6.296 1.161 8.794 1.00 0.00 C ATOM 679 C SER A 44 5.681 -0.147 9.283 1.00 0.00 C ATOM 680 O SER A 44 5.899 -1.207 8.695 1.00 0.00 O ATOM 681 CB SER A 44 7.134 0.906 7.540 1.00 0.00 C ATOM 682 OG SER A 44 7.808 2.083 7.130 1.00 0.00 O ATOM 0 H SER A 44 6.894 2.749 10.025 1.00 0.00 H new ATOM 0 HA SER A 44 5.490 1.852 8.549 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.860 0.117 7.738 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.491 0.552 6.734 1.00 0.00 H new ATOM 0 HG SER A 44 8.338 1.894 6.328 1.00 0.00 H new ATOM 688 N LEU A 45 4.913 -0.065 10.364 1.00 0.00 N ATOM 689 CA LEU A 45 4.265 -1.241 10.934 1.00 0.00 C ATOM 690 C LEU A 45 2.904 -1.481 10.288 1.00 0.00 C ATOM 691 O LEU A 45 2.252 -0.545 9.826 1.00 0.00 O ATOM 692 CB LEU A 45 4.103 -1.076 12.446 1.00 0.00 C ATOM 693 CG LEU A 45 5.359 -0.666 13.215 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.081 -0.627 14.710 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.506 -1.617 12.909 1.00 0.00 C ATOM 0 H LEU A 45 4.724 0.804 10.863 1.00 0.00 H new ATOM 0 HA LEU A 45 4.898 -2.106 10.735 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.330 -0.330 12.629 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.741 -2.018 12.857 1.00 0.00 H new ATOM 0 HG LEU A 45 5.648 0.335 12.894 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.987 -0.333 15.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.290 0.095 14.914 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.767 -1.615 15.048 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.392 -1.310 13.465 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.227 -2.629 13.201 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.722 -1.594 11.841 1.00 0.00 H new ATOM 707 N MET A 46 2.482 -2.740 10.261 1.00 0.00 N ATOM 708 CA MET A 46 1.196 -3.102 9.674 1.00 0.00 C ATOM 709 C MET A 46 0.544 -4.240 10.454 1.00 0.00 C ATOM 710 O MET A 46 1.188 -4.886 11.280 1.00 0.00 O ATOM 711 CB MET A 46 1.376 -3.509 8.210 1.00 0.00 C ATOM 712 CG MET A 46 2.021 -2.430 7.355 1.00 0.00 C ATOM 713 SD MET A 46 1.458 -2.473 5.642 1.00 0.00 S ATOM 714 CE MET A 46 2.160 -0.949 5.017 1.00 0.00 C ATOM 0 H MET A 46 3.010 -3.527 10.638 1.00 0.00 H new ATOM 0 HA MET A 46 0.543 -2.230 9.723 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.987 -4.411 8.164 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.403 -3.761 7.789 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.799 -1.452 7.782 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.104 -2.550 7.381 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.899 -0.832 3.965 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.765 -0.107 5.585 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.245 -0.979 5.120 1.00 0.00 H new ATOM 724 N GLU A 47 -0.736 -4.477 10.186 1.00 0.00 N ATOM 725 CA GLU A 47 -1.474 -5.536 10.864 1.00 0.00 C ATOM 726 C GLU A 47 -1.571 -5.259 12.361 1.00 0.00 C ATOM 727 O GLU A 47 -1.634 -6.184 13.172 1.00 0.00 O ATOM 728 CB GLU A 47 -0.801 -6.890 10.627 1.00 0.00 C ATOM 729 CG GLU A 47 -0.465 -7.156 9.169 1.00 0.00 C ATOM 730 CD GLU A 47 -0.841 -8.558 8.731 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.464 -9.520 9.432 1.00 0.00 O ATOM 732 OE2 GLU A 47 -1.512 -8.693 7.686 1.00 0.00 O ATOM 0 H GLU A 47 -1.283 -3.951 9.505 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.482 -5.563 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.114 -6.939 11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.457 -7.681 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.985 -6.432 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.603 -7.004 9.012 1.00 0.00 H new ATOM 739 N ILE A 48 -1.581 -3.980 12.721 1.00 0.00 N ATOM 740 CA ILE A 48 -1.671 -3.581 14.120 1.00 0.00 C ATOM 741 C ILE A 48 -3.071 -3.082 14.461 1.00 0.00 C ATOM 742 O ILE A 48 -3.675 -2.327 13.698 1.00 0.00 O ATOM 743 CB ILE A 48 -0.649 -2.479 14.457 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.583 -2.260 15.970 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.011 -1.184 13.745 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.805 -1.930 16.473 1.00 0.00 C ATOM 0 H ILE A 48 -1.528 -3.202 12.063 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.449 -4.466 14.716 1.00 0.00 H new ATOM 0 HB ILE A 48 0.334 -2.798 14.111 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.261 -1.451 16.242 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.940 -3.158 16.475 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.279 -0.415 13.994 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.012 -1.349 12.668 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.001 -0.858 14.063 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.776 -1.788 17.553 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.483 -2.749 16.233 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.157 -1.015 15.996 1.00 0.00 H new ATOM 758 N ASP A 49 -3.580 -3.507 15.611 1.00 0.00 N ATOM 759 CA ASP A 49 -4.909 -3.101 16.056 1.00 0.00 C ATOM 760 C ASP A 49 -4.823 -1.913 17.009 1.00 0.00 C ATOM 761 O ASP A 49 -4.681 -2.083 18.220 1.00 0.00 O ATOM 762 CB ASP A 49 -5.620 -4.269 16.740 1.00 0.00 C ATOM 763 CG ASP A 49 -7.117 -4.255 16.502 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.697 -3.151 16.442 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.709 -5.347 16.378 1.00 0.00 O ATOM 0 H ASP A 49 -3.093 -4.133 16.253 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.483 -2.800 15.179 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.206 -5.208 16.373 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.425 -4.232 17.812 1.00 0.00 H new ATOM 770 N THR A 50 -4.910 -0.708 16.454 1.00 0.00 N ATOM 771 CA THR A 50 -4.841 0.509 17.253 1.00 0.00 C ATOM 772 C THR A 50 -6.035 0.617 18.195 1.00 0.00 C ATOM 773 O THR A 50 -5.949 1.241 19.252 1.00 0.00 O ATOM 774 CB THR A 50 -4.789 1.764 16.362 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.972 1.846 15.560 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.561 1.740 15.464 1.00 0.00 C ATOM 0 H THR A 50 -5.028 -0.549 15.453 1.00 0.00 H new ATOM 0 HA THR A 50 -3.924 0.451 17.839 1.00 0.00 H new ATOM 0 HB THR A 50 -4.729 2.639 17.009 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.931 2.648 14.998 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.546 2.636 14.844 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.661 1.709 16.079 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.595 0.858 14.825 1.00 0.00 H new ATOM 784 N SER A 51 -7.148 0.006 17.803 1.00 0.00 N ATOM 785 CA SER A 51 -8.362 0.036 18.612 1.00 0.00 C ATOM 786 C SER A 51 -8.113 -0.575 19.988 1.00 0.00 C ATOM 787 O SER A 51 -8.806 -0.258 20.955 1.00 0.00 O ATOM 788 CB SER A 51 -9.491 -0.715 17.904 1.00 0.00 C ATOM 789 OG SER A 51 -10.272 -1.451 18.829 1.00 0.00 O ATOM 0 H SER A 51 -7.235 -0.516 16.931 1.00 0.00 H new ATOM 0 HA SER A 51 -8.656 1.077 18.744 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.125 -0.007 17.371 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.071 -1.391 17.159 1.00 0.00 H new ATOM 0 HG SER A 51 -10.988 -1.921 18.352 1.00 0.00 H new ATOM 795 N PHE A 52 -7.119 -1.453 20.067 1.00 0.00 N ATOM 796 CA PHE A 52 -6.779 -2.111 21.323 1.00 0.00 C ATOM 797 C PHE A 52 -6.242 -1.103 22.336 1.00 0.00 C ATOM 798 O PHE A 52 -6.289 -1.336 23.544 1.00 0.00 O ATOM 799 CB PHE A 52 -5.742 -3.210 21.083 1.00 0.00 C ATOM 800 CG PHE A 52 -5.894 -4.388 22.003 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.343 -4.367 23.274 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.589 -5.516 21.597 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.481 -5.450 24.122 1.00 0.00 C ATOM 804 CE2 PHE A 52 -6.731 -6.602 22.441 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.176 -6.568 23.705 1.00 0.00 C ATOM 0 H PHE A 52 -6.535 -1.725 19.276 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.687 -2.559 21.727 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.819 -3.553 20.051 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.744 -2.790 21.205 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.800 -3.495 23.606 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.025 -5.547 20.609 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.046 -5.422 25.110 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.275 -7.475 22.112 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.285 -7.415 24.367 1.00 0.00 H new ATOM 815 N PHE A 53 -5.733 0.017 21.835 1.00 0.00 N ATOM 816 CA PHE A 53 -5.185 1.060 22.695 1.00 0.00 C ATOM 817 C PHE A 53 -6.003 2.343 22.580 1.00 0.00 C ATOM 818 O PHE A 53 -5.517 3.430 22.892 1.00 0.00 O ATOM 819 CB PHE A 53 -3.725 1.337 22.330 1.00 0.00 C ATOM 820 CG PHE A 53 -2.888 0.095 22.223 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.867 -0.644 21.051 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.123 -0.335 23.295 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.097 -1.787 20.949 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.351 -1.478 23.199 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.339 -2.205 22.025 1.00 0.00 C ATOM 0 H PHE A 53 -5.688 0.226 20.838 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.233 0.710 23.726 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.691 1.871 21.380 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.290 1.995 23.082 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.460 -0.323 20.207 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.130 0.229 24.216 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.088 -2.353 20.029 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.758 -1.802 24.041 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.738 -3.099 21.948 1.00 0.00 H new ATOM 835 N GLN A 54 -7.245 2.208 22.129 1.00 0.00 N ATOM 836 CA GLN A 54 -8.130 3.357 21.971 1.00 0.00 C ATOM 837 C GLN A 54 -8.400 4.024 23.316 1.00 0.00 C ATOM 838 O GLN A 54 -8.718 5.211 23.378 1.00 0.00 O ATOM 839 CB GLN A 54 -9.449 2.927 21.327 1.00 0.00 C ATOM 840 CG GLN A 54 -10.331 2.096 22.243 1.00 0.00 C ATOM 841 CD GLN A 54 -11.693 1.811 21.641 1.00 0.00 C ATOM 842 OE1 GLN A 54 -12.401 2.725 21.217 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.067 0.537 21.600 1.00 0.00 N ATOM 0 H GLN A 54 -7.662 1.315 21.866 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.635 4.079 21.321 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.998 3.816 21.016 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.233 2.353 20.426 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.831 1.153 22.465 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.459 2.619 23.191 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.448 -0.188 21.963 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.973 0.284 21.206 1.00 0.00 H new ATOM 852 N ASN A 55 -8.273 3.252 24.390 1.00 0.00 N ATOM 853 CA ASN A 55 -8.505 3.768 25.734 1.00 0.00 C ATOM 854 C ASN A 55 -7.530 3.149 26.731 1.00 0.00 C ATOM 855 O ASN A 55 -7.882 2.890 27.881 1.00 0.00 O ATOM 856 CB ASN A 55 -9.944 3.485 26.170 1.00 0.00 C ATOM 857 CG ASN A 55 -10.936 4.453 25.552 1.00 0.00 C ATOM 858 OD1 ASN A 55 -10.681 5.655 25.476 1.00 0.00 O ATOM 859 ND2 ASN A 55 -12.073 3.931 25.108 1.00 0.00 N ATOM 0 H ASN A 55 -8.011 2.267 24.356 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.343 4.846 25.715 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.212 2.466 25.890 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.010 3.545 27.256 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -12.779 4.532 24.683 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.241 2.928 25.192 1.00 0.00 H new ATOM 866 N MET A 56 -6.301 2.914 26.280 1.00 0.00 N ATOM 867 CA MET A 56 -5.274 2.327 27.133 1.00 0.00 C ATOM 868 C MET A 56 -4.308 3.396 27.635 1.00 0.00 C ATOM 869 O MET A 56 -3.400 3.812 26.915 1.00 0.00 O ATOM 870 CB MET A 56 -4.506 1.245 26.372 1.00 0.00 C ATOM 871 CG MET A 56 -3.471 0.524 27.220 1.00 0.00 C ATOM 872 SD MET A 56 -3.815 -1.238 27.386 1.00 0.00 S ATOM 873 CE MET A 56 -3.709 -1.766 25.678 1.00 0.00 C ATOM 0 H MET A 56 -5.993 3.121 25.330 1.00 0.00 H new ATOM 0 HA MET A 56 -5.766 1.875 27.994 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.215 0.515 25.980 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.009 1.699 25.515 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.485 0.657 26.775 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.438 0.979 28.210 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.289 -2.679 25.543 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.106 -0.985 25.030 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.667 -1.956 25.420 1.00 0.00 H new ATOM 883 N ASP A 57 -4.510 3.836 28.872 1.00 0.00 N ATOM 884 CA ASP A 57 -3.656 4.856 29.469 1.00 0.00 C ATOM 885 C ASP A 57 -2.204 4.390 29.515 1.00 0.00 C ATOM 886 O ASP A 57 -1.927 3.194 29.602 1.00 0.00 O ATOM 887 CB ASP A 57 -4.140 5.194 30.880 1.00 0.00 C ATOM 888 CG ASP A 57 -4.513 3.960 31.676 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.594 3.268 32.164 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.723 3.685 31.812 1.00 0.00 O ATOM 0 H ASP A 57 -5.257 3.502 29.481 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.713 5.751 28.849 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.358 5.740 31.408 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.004 5.856 30.816 1.00 0.00 H new ATOM 895 N GLY A 58 -1.279 5.343 29.454 1.00 0.00 N ATOM 896 CA GLY A 58 0.133 5.011 29.489 1.00 0.00 C ATOM 897 C GLY A 58 0.463 3.994 30.563 1.00 0.00 C ATOM 898 O GLY A 58 1.352 3.160 30.388 1.00 0.00 O ATOM 0 H GLY A 58 -1.483 6.340 29.381 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.435 4.620 28.518 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.712 5.918 29.662 1.00 0.00 H new ATOM 902 N LYS A 59 -0.253 4.062 31.680 1.00 0.00 N ATOM 903 CA LYS A 59 -0.033 3.141 32.788 1.00 0.00 C ATOM 904 C LYS A 59 -0.372 1.710 32.382 1.00 0.00 C ATOM 905 O LYS A 59 0.376 0.778 32.677 1.00 0.00 O ATOM 906 CB LYS A 59 -0.876 3.553 33.997 1.00 0.00 C ATOM 907 CG LYS A 59 -0.520 4.922 34.548 1.00 0.00 C ATOM 908 CD LYS A 59 0.444 4.819 35.718 1.00 0.00 C ATOM 909 CE LYS A 59 1.796 4.275 35.280 1.00 0.00 C ATOM 910 NZ LYS A 59 1.887 2.800 35.466 1.00 0.00 N ATOM 0 H LYS A 59 -0.992 4.747 31.842 1.00 0.00 H new ATOM 0 HA LYS A 59 1.022 3.183 33.058 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.929 3.547 33.714 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.753 2.810 34.785 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.073 5.528 33.760 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.428 5.434 34.867 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.575 5.802 36.170 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.020 4.170 36.484 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.963 4.520 34.231 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.586 4.763 35.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.574 2.587 36.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.954 2.426 35.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.197 2.357 34.578 1.00 0.00 H new ATOM 924 N GLU A 60 -1.503 1.544 31.704 1.00 0.00 N ATOM 925 CA GLU A 60 -1.939 0.227 31.257 1.00 0.00 C ATOM 926 C GLU A 60 -1.173 -0.207 30.011 1.00 0.00 C ATOM 927 O GLU A 60 -1.243 -1.365 29.597 1.00 0.00 O ATOM 928 CB GLU A 60 -3.442 0.233 30.968 1.00 0.00 C ATOM 929 CG GLU A 60 -4.302 0.282 32.220 1.00 0.00 C ATOM 930 CD GLU A 60 -4.699 -1.097 32.709 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.432 -1.798 31.979 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.277 -1.476 33.821 1.00 0.00 O ATOM 0 H GLU A 60 -2.134 2.305 31.452 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.732 -0.485 32.056 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.679 1.092 30.340 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.697 -0.659 30.397 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.758 0.801 33.010 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.201 0.864 32.016 1.00 0.00 H new ATOM 939 N LEU A 61 -0.442 0.730 29.417 1.00 0.00 N ATOM 940 CA LEU A 61 0.338 0.446 28.218 1.00 0.00 C ATOM 941 C LEU A 61 1.742 -0.026 28.580 1.00 0.00 C ATOM 942 O LEU A 61 2.315 -0.881 27.902 1.00 0.00 O ATOM 943 CB LEU A 61 0.419 1.691 27.332 1.00 0.00 C ATOM 944 CG LEU A 61 1.524 1.692 26.275 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.298 0.578 25.265 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.593 3.042 25.577 1.00 0.00 C ATOM 0 H LEU A 61 -0.373 1.693 29.746 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.163 -0.352 27.669 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.539 1.816 26.827 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.557 2.561 27.974 1.00 0.00 H new ATOM 0 HG LEU A 61 2.477 1.514 26.773 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.094 0.595 24.521 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.300 -0.384 25.778 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.337 0.724 24.772 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.385 3.024 24.828 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.639 3.250 25.092 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.804 3.820 26.310 1.00 0.00 H new ATOM 958 N CYS A 62 2.290 0.532 29.653 1.00 0.00 N ATOM 959 CA CYS A 62 3.627 0.167 30.107 1.00 0.00 C ATOM 960 C CYS A 62 3.603 -1.163 30.854 1.00 0.00 C ATOM 961 O CYS A 62 4.641 -1.795 31.053 1.00 0.00 O ATOM 962 CB CYS A 62 4.199 1.262 31.009 1.00 0.00 C ATOM 963 SG CYS A 62 3.413 1.366 32.634 1.00 0.00 S ATOM 0 H CYS A 62 1.829 1.239 30.225 1.00 0.00 H new ATOM 0 HA CYS A 62 4.265 0.059 29.230 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.266 1.086 31.144 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.096 2.223 30.505 1.00 0.00 H new ATOM 0 HG CYS A 62 2.145 1.101 32.521 1.00 0.00 H new ATOM 969 N LYS A 63 2.412 -1.581 31.268 1.00 0.00 N ATOM 970 CA LYS A 63 2.251 -2.836 31.994 1.00 0.00 C ATOM 971 C LYS A 63 2.033 -3.998 31.030 1.00 0.00 C ATOM 972 O LYS A 63 2.327 -5.148 31.354 1.00 0.00 O ATOM 973 CB LYS A 63 1.074 -2.738 32.967 1.00 0.00 C ATOM 974 CG LYS A 63 -0.283 -2.777 32.286 1.00 0.00 C ATOM 975 CD LYS A 63 -1.416 -2.774 33.299 1.00 0.00 C ATOM 976 CE LYS A 63 -1.754 -4.183 33.761 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.197 -4.498 33.569 1.00 0.00 N ATOM 0 H LYS A 63 1.543 -1.069 31.113 1.00 0.00 H new ATOM 0 HA LYS A 63 3.166 -3.022 32.557 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.136 -3.558 33.683 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.159 -1.812 33.535 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.384 -1.917 31.624 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.353 -3.669 31.663 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.135 -2.166 34.159 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.299 -2.313 32.857 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.149 -4.902 33.208 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.495 -4.292 34.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.496 -5.202 34.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.760 -3.631 33.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.345 -4.881 32.613 1.00 0.00 H new ATOM 991 N MET A 64 1.515 -3.689 29.846 1.00 0.00 N ATOM 992 CA MET A 64 1.261 -4.708 28.834 1.00 0.00 C ATOM 993 C MET A 64 2.506 -5.554 28.588 1.00 0.00 C ATOM 994 O MET A 64 3.630 -5.082 28.755 1.00 0.00 O ATOM 995 CB MET A 64 0.805 -4.058 27.527 1.00 0.00 C ATOM 996 CG MET A 64 -0.589 -3.456 27.601 1.00 0.00 C ATOM 997 SD MET A 64 -1.804 -4.403 26.663 1.00 0.00 S ATOM 998 CE MET A 64 -1.112 -4.302 25.014 1.00 0.00 C ATOM 0 H MET A 64 1.263 -2.742 29.564 1.00 0.00 H new ATOM 0 HA MET A 64 0.469 -5.359 29.203 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.515 -3.278 27.252 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.828 -4.804 26.733 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.902 -3.402 28.644 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.560 -2.434 27.223 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.918 -4.212 24.286 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.462 -3.430 24.945 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.534 -5.203 24.806 1.00 0.00 H new ATOM 1008 N ASN A 65 2.298 -6.805 28.192 1.00 0.00 N ATOM 1009 CA ASN A 65 3.405 -7.716 27.924 1.00 0.00 C ATOM 1010 C ASN A 65 3.359 -8.219 26.484 1.00 0.00 C ATOM 1011 O ASN A 65 2.446 -7.889 25.728 1.00 0.00 O ATOM 1012 CB ASN A 65 3.364 -8.900 28.892 1.00 0.00 C ATOM 1013 CG ASN A 65 1.951 -9.256 29.310 1.00 0.00 C ATOM 1014 OD1 ASN A 65 1.223 -9.924 28.576 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.555 -8.808 30.497 1.00 0.00 N ATOM 0 H ASN A 65 1.373 -7.211 28.049 1.00 0.00 H new ATOM 0 HA ASN A 65 4.337 -7.169 28.069 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.830 -9.766 28.422 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.953 -8.662 29.778 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.614 -9.015 30.832 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.192 -8.258 31.073 1.00 0.00 H new ATOM 1022 N LYS A 66 4.351 -9.021 26.112 1.00 0.00 N ATOM 1023 CA LYS A 66 4.424 -9.573 24.764 1.00 0.00 C ATOM 1024 C LYS A 66 3.109 -10.241 24.377 1.00 0.00 C ATOM 1025 O LYS A 66 2.683 -10.172 23.225 1.00 0.00 O ATOM 1026 CB LYS A 66 5.570 -10.583 24.666 1.00 0.00 C ATOM 1027 CG LYS A 66 5.829 -11.074 23.252 1.00 0.00 C ATOM 1028 CD LYS A 66 7.075 -10.437 22.660 1.00 0.00 C ATOM 1029 CE LYS A 66 7.249 -10.811 21.196 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.260 -11.890 21.016 1.00 0.00 N ATOM 0 H LYS A 66 5.116 -9.303 26.725 1.00 0.00 H new ATOM 0 HA LYS A 66 4.611 -8.752 24.072 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.480 -10.126 25.055 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.345 -11.438 25.303 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.941 -12.158 23.257 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.969 -10.845 22.623 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.011 -9.353 22.755 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.951 -10.755 23.225 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.292 -11.138 20.788 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.553 -9.931 20.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.058 -11.528 20.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.604 -12.202 21.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.825 -12.694 20.521 1.00 0.00 H new ATOM 1044 N GLU A 67 2.470 -10.886 25.349 1.00 0.00 N ATOM 1045 CA GLU A 67 1.203 -11.566 25.108 1.00 0.00 C ATOM 1046 C GLU A 67 0.088 -10.559 24.840 1.00 0.00 C ATOM 1047 O GLU A 67 -0.534 -10.573 23.777 1.00 0.00 O ATOM 1048 CB GLU A 67 0.834 -12.444 26.305 1.00 0.00 C ATOM 1049 CG GLU A 67 0.885 -13.933 26.006 1.00 0.00 C ATOM 1050 CD GLU A 67 -0.488 -14.575 26.001 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -1.341 -14.144 25.196 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.712 -15.507 26.802 1.00 0.00 O ATOM 0 H GLU A 67 2.809 -10.952 26.309 1.00 0.00 H new ATOM 0 HA GLU A 67 1.320 -12.196 24.227 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.513 -12.224 27.129 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.170 -12.183 26.640 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.358 -14.089 25.037 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.510 -14.428 26.749 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.160 -9.688 25.811 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.200 -8.673 25.681 1.00 0.00 C ATOM 1061 C ASP A 68 -0.982 -7.829 24.429 1.00 0.00 C ATOM 1062 O ASP A 68 -1.931 -7.291 23.857 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.223 -7.775 26.919 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.200 -8.568 28.211 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.580 -9.757 28.184 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.799 -8.000 29.248 1.00 0.00 O ATOM 0 H ASP A 68 0.345 -9.664 26.697 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.160 -9.181 25.592 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.365 -7.104 26.893 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.117 -7.151 26.895 1.00 0.00 H new ATOM 1071 N PHE A 69 0.274 -7.717 24.009 1.00 0.00 N ATOM 1072 CA PHE A 69 0.617 -6.937 22.825 1.00 0.00 C ATOM 1073 C PHE A 69 0.377 -7.744 21.553 1.00 0.00 C ATOM 1074 O PHE A 69 -0.042 -7.202 20.529 1.00 0.00 O ATOM 1075 CB PHE A 69 2.078 -6.488 22.890 1.00 0.00 C ATOM 1076 CG PHE A 69 2.257 -5.109 23.456 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.811 -3.997 22.760 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.871 -4.924 24.684 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.975 -2.726 23.279 1.00 0.00 C ATOM 1080 CE2 PHE A 69 3.038 -3.656 25.208 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.588 -2.555 24.505 1.00 0.00 C ATOM 0 H PHE A 69 1.071 -8.156 24.470 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.026 -6.057 22.802 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.641 -7.197 23.497 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.504 -6.518 21.887 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.330 -4.124 21.801 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.223 -5.781 25.239 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.624 -1.867 22.726 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.520 -3.526 26.166 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.715 -1.563 24.913 1.00 0.00 H new ATOM 1091 N LEU A 70 0.645 -9.043 21.625 1.00 0.00 N ATOM 1092 CA LEU A 70 0.459 -9.927 20.479 1.00 0.00 C ATOM 1093 C LEU A 70 -1.023 -10.105 20.163 1.00 0.00 C ATOM 1094 O LEU A 70 -1.387 -10.512 19.060 1.00 0.00 O ATOM 1095 CB LEU A 70 1.100 -11.289 20.752 1.00 0.00 C ATOM 1096 CG LEU A 70 2.492 -11.507 20.157 1.00 0.00 C ATOM 1097 CD1 LEU A 70 3.045 -12.861 20.574 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.448 -11.390 18.641 1.00 0.00 C ATOM 0 H LEU A 70 0.992 -9.508 22.464 1.00 0.00 H new ATOM 0 HA LEU A 70 0.943 -9.470 19.616 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.162 -11.429 21.831 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.437 -12.064 20.367 1.00 0.00 H new ATOM 0 HG LEU A 70 3.156 -10.733 20.542 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.036 -12.998 20.141 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.114 -12.907 21.661 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.382 -13.650 20.219 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.447 -11.548 18.235 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.769 -12.141 18.238 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.096 -10.397 18.363 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.872 -9.794 21.137 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.314 -9.918 20.962 1.00 0.00 C ATOM 1112 C ARG A 71 -3.882 -8.693 20.250 1.00 0.00 C ATOM 1113 O ARG A 71 -5.089 -8.595 20.031 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.000 -10.097 22.317 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.650 -11.404 23.009 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.707 -11.796 24.029 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.549 -13.176 24.480 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.382 -13.773 25.325 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.427 -13.115 25.807 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.170 -15.032 25.688 1.00 0.00 N ATOM 0 H ARG A 71 -1.586 -9.454 22.055 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.506 -10.797 20.346 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.724 -9.266 22.967 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.080 -10.047 22.177 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.550 -12.195 22.266 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.684 -11.307 23.504 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.649 -11.126 24.887 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.697 -11.669 23.592 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.755 -13.711 24.127 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.593 -12.148 25.529 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.065 -13.576 26.456 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.367 -15.541 25.318 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.810 -15.490 26.337 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.003 -7.763 19.892 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.417 -6.546 19.204 1.00 0.00 C ATOM 1136 C ALA A 72 -2.534 -6.274 17.991 1.00 0.00 C ATOM 1137 O ALA A 72 -3.015 -5.843 16.943 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.385 -5.362 20.159 1.00 0.00 C ATOM 0 H ALA A 72 -2.000 -7.829 20.067 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.439 -6.687 18.852 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.696 -4.460 19.631 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.063 -5.548 20.992 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.372 -5.228 20.539 1.00 0.00 H new ATOM 1144 N THR A 73 -1.237 -6.527 18.140 1.00 0.00 N ATOM 1145 CA THR A 73 -0.286 -6.307 17.058 1.00 0.00 C ATOM 1146 C THR A 73 0.474 -7.586 16.726 1.00 0.00 C ATOM 1147 O THR A 73 0.598 -8.483 17.562 1.00 0.00 O ATOM 1148 CB THR A 73 0.725 -5.201 17.414 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.402 -4.757 16.233 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.741 -5.703 18.430 1.00 0.00 C ATOM 0 H THR A 73 -0.822 -6.885 19.000 1.00 0.00 H new ATOM 0 HA THR A 73 -0.864 -5.994 16.188 1.00 0.00 H new ATOM 0 HB THR A 73 0.178 -4.367 17.853 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.744 -4.554 15.536 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.445 -4.905 18.666 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.225 -6.012 19.339 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.283 -6.552 18.014 1.00 0.00 H new ATOM 1158 N THR A 74 0.983 -7.666 15.500 1.00 0.00 N ATOM 1159 CA THR A 74 1.731 -8.836 15.058 1.00 0.00 C ATOM 1160 C THR A 74 2.998 -9.023 15.884 1.00 0.00 C ATOM 1161 O THR A 74 3.415 -8.122 16.614 1.00 0.00 O ATOM 1162 CB THR A 74 2.114 -8.728 13.570 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.797 -9.915 13.152 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.999 -7.515 13.325 1.00 0.00 C ATOM 0 H THR A 74 0.890 -6.934 14.796 1.00 0.00 H new ATOM 0 HA THR A 74 1.079 -9.699 15.197 1.00 0.00 H new ATOM 0 HB THR A 74 1.198 -8.613 12.990 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.035 -9.839 12.204 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.256 -7.460 12.267 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.465 -6.610 13.616 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.911 -7.604 13.916 1.00 0.00 H new ATOM 1172 N LEU A 75 3.608 -10.197 15.766 1.00 0.00 N ATOM 1173 CA LEU A 75 4.830 -10.503 16.502 1.00 0.00 C ATOM 1174 C LEU A 75 5.929 -9.498 16.173 1.00 0.00 C ATOM 1175 O LEU A 75 6.539 -8.914 17.070 1.00 0.00 O ATOM 1176 CB LEU A 75 5.304 -11.920 16.176 1.00 0.00 C ATOM 1177 CG LEU A 75 6.735 -12.262 16.592 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.934 -12.007 18.078 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.060 -13.708 16.249 1.00 0.00 C ATOM 0 H LEU A 75 3.276 -10.953 15.167 1.00 0.00 H new ATOM 0 HA LEU A 75 4.610 -10.437 17.567 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.628 -12.627 16.657 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.213 -12.073 15.101 1.00 0.00 H new ATOM 0 HG LEU A 75 7.417 -11.617 16.039 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.958 -12.256 18.356 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.744 -10.956 18.295 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.242 -12.626 18.649 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.082 -13.933 16.552 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.372 -14.370 16.774 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.959 -13.859 15.174 1.00 0.00 H new ATOM 1191 N TYR A 76 6.176 -9.301 14.883 1.00 0.00 N ATOM 1192 CA TYR A 76 7.203 -8.367 14.436 1.00 0.00 C ATOM 1193 C TYR A 76 7.051 -7.017 15.132 1.00 0.00 C ATOM 1194 O TYR A 76 8.009 -6.485 15.692 1.00 0.00 O ATOM 1195 CB TYR A 76 7.128 -8.182 12.920 1.00 0.00 C ATOM 1196 CG TYR A 76 8.209 -7.281 12.365 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.107 -5.899 12.465 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.332 -7.813 11.743 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.092 -5.073 11.959 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.322 -6.994 11.236 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.197 -5.624 11.345 1.00 0.00 C ATOM 1202 OH TYR A 76 11.180 -4.804 10.842 1.00 0.00 O ATOM 0 H TYR A 76 5.680 -9.775 14.129 1.00 0.00 H new ATOM 0 HA TYR A 76 8.176 -8.783 14.697 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.198 -9.158 12.440 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.153 -7.768 12.661 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.244 -5.463 12.946 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.432 -8.885 11.655 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.997 -4.001 12.044 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.189 -7.424 10.757 1.00 0.00 H new ATOM 0 HH TYR A 76 11.889 -5.350 10.443 1.00 0.00 H new ATOM 1212 N ASN A 77 5.841 -6.470 15.091 1.00 0.00 N ATOM 1213 CA ASN A 77 5.562 -5.183 15.717 1.00 0.00 C ATOM 1214 C ASN A 77 5.688 -5.278 17.235 1.00 0.00 C ATOM 1215 O ASN A 77 6.127 -4.334 17.893 1.00 0.00 O ATOM 1216 CB ASN A 77 4.160 -4.701 15.340 1.00 0.00 C ATOM 1217 CG ASN A 77 4.046 -4.352 13.868 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.051 -4.212 13.172 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.816 -4.209 13.388 1.00 0.00 N ATOM 0 H ASN A 77 5.038 -6.898 14.631 1.00 0.00 H new ATOM 0 HA ASN A 77 6.296 -4.464 15.353 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.434 -5.477 15.584 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.906 -3.826 15.939 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.676 -3.974 12.405 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.011 -4.334 14.002 1.00 0.00 H new ATOM 1226 N THR A 78 5.299 -6.424 17.785 1.00 0.00 N ATOM 1227 CA THR A 78 5.367 -6.642 19.225 1.00 0.00 C ATOM 1228 C THR A 78 6.794 -6.482 19.738 1.00 0.00 C ATOM 1229 O THR A 78 7.010 -6.066 20.876 1.00 0.00 O ATOM 1230 CB THR A 78 4.851 -8.043 19.605 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.482 -8.185 19.210 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.979 -8.278 21.103 1.00 0.00 C ATOM 0 H THR A 78 4.934 -7.215 17.255 1.00 0.00 H new ATOM 0 HA THR A 78 4.730 -5.889 19.690 1.00 0.00 H new ATOM 0 HB THR A 78 5.457 -8.784 19.083 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.440 -8.481 18.277 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.609 -9.273 21.348 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.026 -8.198 21.396 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.394 -7.531 21.640 1.00 0.00 H new ATOM 1240 N GLU A 79 7.763 -6.814 18.892 1.00 0.00 N ATOM 1241 CA GLU A 79 9.170 -6.706 19.262 1.00 0.00 C ATOM 1242 C GLU A 79 9.630 -5.251 19.232 1.00 0.00 C ATOM 1243 O GLU A 79 10.411 -4.818 20.079 1.00 0.00 O ATOM 1244 CB GLU A 79 10.034 -7.545 18.319 1.00 0.00 C ATOM 1245 CG GLU A 79 9.939 -9.040 18.575 1.00 0.00 C ATOM 1246 CD GLU A 79 11.239 -9.765 18.284 1.00 0.00 C ATOM 1247 OE1 GLU A 79 11.694 -9.723 17.122 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.801 -10.375 19.218 1.00 0.00 O ATOM 0 H GLU A 79 7.601 -7.160 17.946 1.00 0.00 H new ATOM 0 HA GLU A 79 9.282 -7.084 20.278 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.737 -7.341 17.290 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.074 -7.233 18.418 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.657 -9.210 19.614 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.146 -9.461 17.957 1.00 0.00 H new ATOM 1255 N VAL A 80 9.140 -4.502 18.249 1.00 0.00 N ATOM 1256 CA VAL A 80 9.500 -3.096 18.108 1.00 0.00 C ATOM 1257 C VAL A 80 8.958 -2.270 19.270 1.00 0.00 C ATOM 1258 O VAL A 80 9.715 -1.614 19.986 1.00 0.00 O ATOM 1259 CB VAL A 80 8.970 -2.511 16.786 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.238 -1.015 16.718 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.596 -3.227 15.598 1.00 0.00 C ATOM 0 H VAL A 80 8.493 -4.845 17.539 1.00 0.00 H new ATOM 0 HA VAL A 80 10.589 -3.047 18.108 1.00 0.00 H new ATOM 0 HB VAL A 80 7.892 -2.665 16.748 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.856 -0.619 15.777 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.739 -0.518 17.550 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.311 -0.834 16.779 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.210 -2.801 14.672 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.679 -3.106 15.630 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.348 -4.288 15.640 1.00 0.00 H new ATOM 1271 N LEU A 81 7.643 -2.309 19.452 1.00 0.00 N ATOM 1272 CA LEU A 81 6.998 -1.564 20.528 1.00 0.00 C ATOM 1273 C LEU A 81 7.661 -1.860 21.869 1.00 0.00 C ATOM 1274 O LEU A 81 8.097 -0.948 22.573 1.00 0.00 O ATOM 1275 CB LEU A 81 5.510 -1.913 20.594 1.00 0.00 C ATOM 1276 CG LEU A 81 4.685 -1.577 19.351 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.287 -2.164 19.463 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.618 -0.071 19.146 1.00 0.00 C ATOM 0 H LEU A 81 7.003 -2.848 18.869 1.00 0.00 H new ATOM 0 HA LEU A 81 7.107 -0.500 20.317 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.416 -2.981 20.790 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.073 -1.393 21.447 1.00 0.00 H new ATOM 0 HG LEU A 81 5.174 -2.020 18.484 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.715 -1.914 18.569 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.354 -3.248 19.560 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.788 -1.751 20.340 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.027 0.149 18.257 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.153 0.394 20.015 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.626 0.324 19.019 1.00 0.00 H new ATOM 1290 N LEU A 82 7.738 -3.140 22.215 1.00 0.00 N ATOM 1291 CA LEU A 82 8.351 -3.557 23.472 1.00 0.00 C ATOM 1292 C LEU A 82 9.772 -3.016 23.590 1.00 0.00 C ATOM 1293 O LEU A 82 10.163 -2.493 24.633 1.00 0.00 O ATOM 1294 CB LEU A 82 8.364 -5.084 23.573 1.00 0.00 C ATOM 1295 CG LEU A 82 7.153 -5.722 24.254 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.148 -5.404 25.741 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.863 -5.247 23.601 1.00 0.00 C ATOM 0 H LEU A 82 7.384 -3.907 21.643 1.00 0.00 H new ATOM 0 HA LEU A 82 7.758 -3.150 24.291 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.447 -5.494 22.566 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.261 -5.385 24.115 1.00 0.00 H new ATOM 0 HG LEU A 82 7.221 -6.803 24.135 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.279 -5.866 26.209 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.057 -5.793 26.199 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.104 -4.324 25.882 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.011 -5.711 24.098 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.788 -4.163 23.689 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.864 -5.526 22.547 1.00 0.00 H new ATOM 1309 N SER A 83 10.540 -3.144 22.512 1.00 0.00 N ATOM 1310 CA SER A 83 11.919 -2.669 22.496 1.00 0.00 C ATOM 1311 C SER A 83 11.977 -1.161 22.723 1.00 0.00 C ATOM 1312 O SER A 83 12.807 -0.668 23.487 1.00 0.00 O ATOM 1313 CB SER A 83 12.586 -3.022 21.165 1.00 0.00 C ATOM 1314 OG SER A 83 13.209 -4.293 21.229 1.00 0.00 O ATOM 0 H SER A 83 10.231 -3.572 21.639 1.00 0.00 H new ATOM 0 HA SER A 83 12.457 -3.162 23.306 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.841 -3.018 20.369 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.326 -2.263 20.913 1.00 0.00 H new ATOM 0 HG SER A 83 12.585 -4.979 20.913 1.00 0.00 H new ATOM 1320 N HIS A 84 11.089 -0.434 22.052 1.00 0.00 N ATOM 1321 CA HIS A 84 11.037 1.018 22.180 1.00 0.00 C ATOM 1322 C HIS A 84 10.667 1.426 23.603 1.00 0.00 C ATOM 1323 O HIS A 84 11.431 2.114 24.282 1.00 0.00 O ATOM 1324 CB HIS A 84 10.029 1.603 21.191 1.00 0.00 C ATOM 1325 CG HIS A 84 10.195 3.074 20.965 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.035 3.756 20.151 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.444 4.026 21.622 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 10.777 5.093 20.328 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.813 5.229 21.220 1.00 0.00 N flip ATOM 0 H HIS A 84 10.396 -0.826 21.415 1.00 0.00 H new ATOM 0 HA HIS A 84 12.027 1.413 21.954 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.125 1.084 20.237 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.020 1.412 21.557 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.674 3.820 22.351 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.281 5.902 19.820 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.420 6.113 21.544 1.00 0.00 H new ATOM 1337 N LEU A 85 9.491 0.997 24.049 1.00 0.00 N ATOM 1338 CA LEU A 85 9.019 1.318 25.392 1.00 0.00 C ATOM 1339 C LEU A 85 10.023 0.862 26.445 1.00 0.00 C ATOM 1340 O LEU A 85 10.171 1.494 27.491 1.00 0.00 O ATOM 1341 CB LEU A 85 7.661 0.661 25.646 1.00 0.00 C ATOM 1342 CG LEU A 85 6.571 1.571 26.211 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.577 1.951 25.124 1.00 0.00 C ATOM 1344 CD2 LEU A 85 5.860 0.894 27.374 1.00 0.00 C ATOM 0 H LEU A 85 8.847 0.426 23.501 1.00 0.00 H new ATOM 0 HA LEU A 85 8.911 2.400 25.465 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.303 0.238 24.707 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.805 -0.171 26.335 1.00 0.00 H new ATOM 0 HG LEU A 85 7.041 2.483 26.580 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.808 2.599 25.545 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.097 2.477 24.323 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.113 1.049 24.724 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.087 1.557 27.764 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.403 -0.034 27.030 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.580 0.674 28.162 1.00 0.00 H new ATOM 1356 N SER A 86 10.713 -0.238 26.161 1.00 0.00 N ATOM 1357 CA SER A 86 11.703 -0.780 27.085 1.00 0.00 C ATOM 1358 C SER A 86 12.706 0.293 27.498 1.00 0.00 C ATOM 1359 O SER A 86 13.037 0.429 28.676 1.00 0.00 O ATOM 1360 CB SER A 86 12.436 -1.961 26.445 1.00 0.00 C ATOM 1361 OG SER A 86 13.813 -1.948 26.781 1.00 0.00 O ATOM 0 H SER A 86 10.605 -0.772 25.298 1.00 0.00 H new ATOM 0 HA SER A 86 11.180 -1.126 27.977 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.986 -2.896 26.778 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.322 -1.920 25.362 1.00 0.00 H new ATOM 0 HG SER A 86 14.259 -2.713 26.362 1.00 0.00 H new ATOM 1367 N TYR A 87 13.185 1.053 26.519 1.00 0.00 N ATOM 1368 CA TYR A 87 14.152 2.113 26.779 1.00 0.00 C ATOM 1369 C TYR A 87 13.497 3.280 27.512 1.00 0.00 C ATOM 1370 O TYR A 87 13.953 3.692 28.580 1.00 0.00 O ATOM 1371 CB TYR A 87 14.768 2.602 25.467 1.00 0.00 C ATOM 1372 CG TYR A 87 15.636 3.830 25.626 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.760 3.810 26.443 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.333 5.011 24.959 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.555 4.930 26.592 1.00 0.00 C ATOM 1376 CE2 TYR A 87 16.123 6.135 25.101 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.232 6.089 25.919 1.00 0.00 C ATOM 1378 OH TYR A 87 18.023 7.207 26.064 1.00 0.00 O ATOM 0 H TYR A 87 12.920 0.955 25.539 1.00 0.00 H new ATOM 0 HA TYR A 87 14.939 1.705 27.413 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.365 1.799 25.034 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.968 2.822 24.760 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.016 2.903 26.971 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.464 5.051 24.318 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.424 4.898 27.232 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.874 7.044 24.575 1.00 0.00 H new ATOM 0 HH TYR A 87 17.659 7.938 25.522 1.00 0.00 H new ATOM 1388 N LEU A 88 12.426 3.809 26.932 1.00 0.00 N ATOM 1389 CA LEU A 88 11.706 4.928 27.529 1.00 0.00 C ATOM 1390 C LEU A 88 11.331 4.624 28.976 1.00 0.00 C ATOM 1391 O LEU A 88 11.223 5.530 29.803 1.00 0.00 O ATOM 1392 CB LEU A 88 10.447 5.242 26.719 1.00 0.00 C ATOM 1393 CG LEU A 88 10.661 6.023 25.422 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.301 5.137 24.365 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.342 6.591 24.918 1.00 0.00 C ATOM 0 H LEU A 88 12.037 3.481 26.048 1.00 0.00 H new ATOM 0 HA LEU A 88 12.363 5.798 27.518 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.952 4.302 26.476 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.764 5.808 27.352 1.00 0.00 H new ATOM 0 HG LEU A 88 11.336 6.854 25.627 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.446 5.710 23.449 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.266 4.779 24.725 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.651 4.286 24.162 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.513 7.144 23.994 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.643 5.776 24.729 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.923 7.261 25.669 1.00 0.00 H new