USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 600 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 60 ASN : amide:sc= -0.319 K(o=-1,f=-11!) USER MOD Set 1.2: A 61 SER OG : rot 29:sc= -0.69! USER MOD Set 2.1: A 52 CYS SG : rot 83:sc= -4.11! USER MOD Set 2.2: A 59 MET CE :methyl 170:sc= 0 (180deg=-0.18) USER MOD Set 3.1: A 29 GLN :FLIP amide:sc= -0.587 F(o=-1.8,f=-1.1) USER MOD Set 3.2: A 92 GLN : amide:sc= -0.559! C(o=-1.1!,f=-3.5!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.862 (180deg=0.541) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -150:sc= -1.24 USER MOD Single : A 35 HIS : no HD1:sc= 0.677 K(o=0.68,f=-4.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -170:sc= -1.67 (180deg=-2) USER MOD Single : A 41 THR OG1 : rot -41:sc= 0.832 USER MOD Single : A 42 THR OG1 : rot 170:sc= -0.0434 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.0566 F(o=-0.59,f=-0.057) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 1.31 (180deg=1.23) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 138:sc= 0.437 (180deg=-0.0629) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 26:sc= -2.22 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.57 F(o=-3.9!,f=-1.6) USER MOD Single : A 69 GLN : amide:sc= -1.83! X(o=-1.8!,f=-1.5) USER MOD Single : A 74 ASN : amide:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-4.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 155:sc= -0.669 (180deg=-1.77) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -4.178 9.321 7.345 1.00 0.00 N ATOM 312 CA ILE A 22 -5.388 8.786 6.765 1.00 0.00 C ATOM 313 C ILE A 22 -5.329 7.269 6.721 1.00 0.00 C ATOM 314 O ILE A 22 -4.312 6.655 7.034 1.00 0.00 O ATOM 315 CB ILE A 22 -5.635 9.336 5.342 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.617 8.761 4.361 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.573 10.859 5.347 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.789 9.253 2.936 1.00 0.00 C ATOM 0 HA ILE A 22 -6.217 9.101 7.399 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.630 9.030 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.614 9.015 4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.692 7.674 4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.749 11.234 4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.337 11.252 6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.589 11.182 5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.029 8.799 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.778 8.976 2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.684 10.338 2.910 1.00 0.00 H new ATOM 330 N LYS A 23 -6.420 6.665 6.358 1.00 0.00 N ATOM 331 CA LYS A 23 -6.502 5.223 6.295 1.00 0.00 C ATOM 332 C LYS A 23 -6.760 4.798 4.868 1.00 0.00 C ATOM 333 O LYS A 23 -7.456 5.477 4.147 1.00 0.00 O ATOM 334 CB LYS A 23 -7.649 4.737 7.172 1.00 0.00 C ATOM 335 CG LYS A 23 -7.633 5.293 8.590 1.00 0.00 C ATOM 336 CD LYS A 23 -9.000 5.141 9.258 1.00 0.00 C ATOM 337 CE LYS A 23 -10.071 5.957 8.529 1.00 0.00 C ATOM 338 NZ LYS A 23 -11.401 5.856 9.180 1.00 0.00 N ATOM 0 H LYS A 23 -7.279 7.148 6.097 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.564 4.793 6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.593 5.008 6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.618 3.649 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.877 4.773 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.351 6.346 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.286 4.089 9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.937 5.465 10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.765 7.003 8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.147 5.612 7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.091 6.425 8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.707 4.862 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.338 6.210 10.156 1.00 0.00 H new ATOM 352 N LEU A 24 -6.167 3.713 4.440 1.00 0.00 N ATOM 353 CA LEU A 24 -6.450 3.189 3.114 1.00 0.00 C ATOM 354 C LEU A 24 -6.611 1.687 3.156 1.00 0.00 C ATOM 355 O LEU A 24 -6.241 1.027 4.143 1.00 0.00 O ATOM 356 CB LEU A 24 -5.376 3.589 2.091 1.00 0.00 C ATOM 357 CG LEU A 24 -5.286 5.077 1.752 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.251 5.755 2.617 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.975 5.280 0.279 1.00 0.00 C ATOM 0 H LEU A 24 -5.490 3.174 4.979 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.390 3.634 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.406 3.265 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.560 3.038 1.169 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.255 5.532 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.201 6.814 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.526 5.647 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.278 5.294 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.916 6.347 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.022 4.808 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.764 4.831 -0.325 1.00 0.00 H new ATOM 371 N LYS A 25 -7.168 1.135 2.103 1.00 0.00 N ATOM 372 CA LYS A 25 -7.400 -0.284 2.023 1.00 0.00 C ATOM 373 C LYS A 25 -7.022 -0.808 0.653 1.00 0.00 C ATOM 374 O LYS A 25 -7.212 -0.140 -0.359 1.00 0.00 O ATOM 375 CB LYS A 25 -8.868 -0.589 2.347 1.00 0.00 C ATOM 376 CG LYS A 25 -9.232 -2.069 2.360 1.00 0.00 C ATOM 377 CD LYS A 25 -9.769 -2.550 1.020 1.00 0.00 C ATOM 378 CE LYS A 25 -11.029 -1.797 0.605 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.141 -1.979 1.563 1.00 0.00 N ATOM 0 H LYS A 25 -7.471 1.657 1.281 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.772 -0.790 2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.105 -0.164 3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.498 -0.082 1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.351 -2.654 2.626 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.979 -2.249 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.002 -2.423 0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.987 -3.616 1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.801 -0.735 0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.344 -2.139 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.889 -1.285 1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.526 -2.941 1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.791 -1.839 2.532 1.00 0.00 H new ATOM 393 N VAL A 26 -6.473 -1.994 0.624 1.00 0.00 N ATOM 394 CA VAL A 26 -6.056 -2.612 -0.619 1.00 0.00 C ATOM 395 C VAL A 26 -6.878 -3.846 -0.902 1.00 0.00 C ATOM 396 O VAL A 26 -7.237 -4.585 0.013 1.00 0.00 O ATOM 397 CB VAL A 26 -4.527 -2.965 -0.585 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.232 -4.304 -1.260 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.721 -1.865 -1.253 1.00 0.00 C ATOM 0 H VAL A 26 -6.300 -2.561 1.454 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.221 -1.895 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.237 -3.050 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.162 -4.507 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.775 -5.098 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.548 -4.263 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.662 -2.121 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.040 -1.759 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.882 -0.925 -0.726 1.00 0.00 H new ATOM 409 N ILE A 27 -7.201 -4.061 -2.163 1.00 0.00 N ATOM 410 CA ILE A 27 -7.904 -5.251 -2.563 1.00 0.00 C ATOM 411 C ILE A 27 -6.960 -6.103 -3.375 1.00 0.00 C ATOM 412 O ILE A 27 -6.737 -5.844 -4.564 1.00 0.00 O ATOM 413 CB ILE A 27 -9.151 -4.938 -3.433 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.147 -4.064 -2.672 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.819 -6.234 -3.878 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.796 -4.763 -1.501 1.00 0.00 C ATOM 0 H ILE A 27 -6.984 -3.420 -2.926 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.245 -5.760 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.822 -4.387 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.634 -3.172 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.923 -3.730 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.692 -6.002 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.114 -6.824 -4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.129 -6.803 -3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.490 -4.081 -1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.338 -5.640 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.029 -5.073 -0.792 1.00 0.00 H new ATOM 428 N GLY A 28 -6.343 -7.085 -2.740 1.00 0.00 N ATOM 429 CA GLY A 28 -5.445 -7.958 -3.444 1.00 0.00 C ATOM 430 C GLY A 28 -6.134 -8.806 -4.476 1.00 0.00 C ATOM 431 O GLY A 28 -7.358 -8.900 -4.507 1.00 0.00 O ATOM 0 H GLY A 28 -6.452 -7.290 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.673 -7.361 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.942 -8.606 -2.727 1.00 0.00 H new ATOM 435 N GLN A 29 -5.342 -9.436 -5.319 1.00 0.00 N ATOM 436 CA GLN A 29 -5.836 -10.336 -6.351 1.00 0.00 C ATOM 437 C GLN A 29 -6.656 -11.501 -5.775 1.00 0.00 C ATOM 438 O GLN A 29 -7.414 -12.153 -6.482 1.00 0.00 O ATOM 439 CB GLN A 29 -4.671 -10.871 -7.204 1.00 0.00 C ATOM 440 CG GLN A 29 -3.325 -11.063 -6.466 1.00 0.00 C ATOM 441 CD GLN A 29 -3.426 -11.849 -5.153 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.381 -11.138 -4.026 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 -3.469 -13.071 -5.154 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.327 -9.339 -5.310 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.507 -9.754 -6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.969 -11.829 -7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.512 -10.186 -8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.631 -11.578 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.897 -10.083 -6.256 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.503 -13.579 -6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.471 -13.582 -4.271 1.00 0.00 H new ATOM 452 N ASP A 30 -6.491 -11.759 -4.496 1.00 0.00 N ATOM 453 CA ASP A 30 -7.208 -12.832 -3.825 1.00 0.00 C ATOM 454 C ASP A 30 -8.361 -12.252 -2.996 1.00 0.00 C ATOM 455 O ASP A 30 -8.950 -12.927 -2.153 1.00 0.00 O ATOM 456 CB ASP A 30 -6.225 -13.607 -2.935 1.00 0.00 C ATOM 457 CG ASP A 30 -6.819 -14.846 -2.305 1.00 0.00 C ATOM 458 OD1 ASP A 30 -7.041 -15.841 -3.027 1.00 0.00 O ATOM 459 OD2 ASP A 30 -7.044 -14.840 -1.078 1.00 0.00 O ATOM 0 H ASP A 30 -5.859 -11.236 -3.890 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.634 -13.515 -4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.358 -13.894 -3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.865 -12.946 -2.146 1.00 0.00 H new ATOM 464 N SER A 31 -8.671 -10.971 -3.254 1.00 0.00 N ATOM 465 CA SER A 31 -9.724 -10.231 -2.541 1.00 0.00 C ATOM 466 C SER A 31 -9.223 -9.907 -1.155 1.00 0.00 C ATOM 467 O SER A 31 -9.980 -9.633 -0.222 1.00 0.00 O ATOM 468 CB SER A 31 -11.040 -11.023 -2.498 1.00 0.00 C ATOM 469 OG SER A 31 -11.507 -11.296 -3.816 1.00 0.00 O ATOM 0 H SER A 31 -8.196 -10.417 -3.967 1.00 0.00 H new ATOM 0 HA SER A 31 -9.944 -9.305 -3.073 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.890 -11.958 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.793 -10.457 -1.950 1.00 0.00 H new ATOM 0 HG SER A 31 -12.345 -11.802 -3.768 1.00 0.00 H new ATOM 475 N SER A 32 -7.918 -9.931 -1.056 1.00 0.00 N ATOM 476 CA SER A 32 -7.190 -9.690 0.144 1.00 0.00 C ATOM 477 C SER A 32 -7.323 -8.231 0.598 1.00 0.00 C ATOM 478 O SER A 32 -6.614 -7.356 0.098 1.00 0.00 O ATOM 479 CB SER A 32 -5.737 -10.008 -0.160 1.00 0.00 C ATOM 480 OG SER A 32 -5.645 -11.022 -1.156 1.00 0.00 O ATOM 0 H SER A 32 -7.314 -10.130 -1.854 1.00 0.00 H new ATOM 0 HA SER A 32 -7.579 -10.310 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.225 -9.108 -0.501 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.233 -10.336 0.749 1.00 0.00 H new ATOM 0 HG SER A 32 -4.827 -11.543 -1.018 1.00 0.00 H new ATOM 486 N GLU A 33 -8.256 -7.951 1.517 1.00 0.00 N ATOM 487 CA GLU A 33 -8.404 -6.596 2.038 1.00 0.00 C ATOM 488 C GLU A 33 -7.355 -6.307 3.065 1.00 0.00 C ATOM 489 O GLU A 33 -7.431 -6.777 4.207 1.00 0.00 O ATOM 490 CB GLU A 33 -9.750 -6.346 2.699 1.00 0.00 C ATOM 491 CG GLU A 33 -10.938 -6.212 1.776 1.00 0.00 C ATOM 492 CD GLU A 33 -11.939 -5.201 2.318 1.00 0.00 C ATOM 493 OE1 GLU A 33 -11.952 -4.968 3.551 1.00 0.00 O ATOM 494 OE2 GLU A 33 -12.693 -4.609 1.522 1.00 0.00 O ATOM 0 H GLU A 33 -8.906 -8.634 1.906 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.310 -5.946 1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.947 -7.164 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.675 -5.435 3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.601 -5.901 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.422 -7.181 1.658 1.00 0.00 H new ATOM 501 N ILE A 34 -6.384 -5.555 2.695 1.00 0.00 N ATOM 502 CA ILE A 34 -5.384 -5.142 3.628 1.00 0.00 C ATOM 503 C ILE A 34 -5.738 -3.752 4.115 1.00 0.00 C ATOM 504 O ILE A 34 -6.075 -2.875 3.317 1.00 0.00 O ATOM 505 CB ILE A 34 -3.987 -5.135 2.984 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.718 -6.474 2.272 1.00 0.00 C ATOM 507 CG2 ILE A 34 -2.929 -4.875 4.044 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.738 -7.679 3.193 1.00 0.00 C ATOM 0 H ILE A 34 -6.254 -5.207 1.745 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.356 -5.845 4.461 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.944 -4.337 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.465 -6.615 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.747 -6.423 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.943 -4.872 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.113 -3.908 4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.972 -5.659 4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.540 -8.582 2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.972 -7.564 3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.716 -7.759 3.667 1.00 0.00 H new ATOM 520 N HIS A 35 -5.694 -3.539 5.414 1.00 0.00 N ATOM 521 CA HIS A 35 -6.078 -2.261 5.986 1.00 0.00 C ATOM 522 C HIS A 35 -4.885 -1.636 6.666 1.00 0.00 C ATOM 523 O HIS A 35 -4.296 -2.224 7.573 1.00 0.00 O ATOM 524 CB HIS A 35 -7.214 -2.429 7.003 1.00 0.00 C ATOM 525 CG HIS A 35 -8.557 -2.768 6.412 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.740 -2.273 6.917 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.905 -3.574 5.377 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.752 -2.760 6.227 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.272 -3.551 5.286 1.00 0.00 N ATOM 0 H HIS A 35 -5.396 -4.235 6.097 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.430 -1.617 5.180 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.937 -3.213 7.708 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.309 -1.506 7.574 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.230 -4.130 4.743 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.796 -2.548 6.402 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.829 -4.063 4.601 1.00 0.00 H new ATOM 538 N PHE A 36 -4.524 -0.453 6.241 1.00 0.00 N ATOM 539 CA PHE A 36 -3.358 0.223 6.780 1.00 0.00 C ATOM 540 C PHE A 36 -3.634 1.701 7.011 1.00 0.00 C ATOM 541 O PHE A 36 -4.597 2.268 6.478 1.00 0.00 O ATOM 542 CB PHE A 36 -2.156 0.031 5.841 1.00 0.00 C ATOM 543 CG PHE A 36 -2.552 -0.052 4.404 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.828 1.086 3.678 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.671 -1.281 3.786 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.211 0.994 2.361 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.057 -1.373 2.473 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.326 -0.232 1.761 1.00 0.00 C ATOM 0 H PHE A 36 -5.020 0.070 5.519 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.122 -0.221 7.747 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.461 0.860 5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.625 -0.879 6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.743 2.056 4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.457 -2.181 4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.422 1.891 1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.149 -2.340 2.002 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.629 -0.300 0.727 1.00 0.00 H new ATOM 558 N LYS A 37 -2.797 2.316 7.815 1.00 0.00 N ATOM 559 CA LYS A 37 -2.938 3.718 8.157 1.00 0.00 C ATOM 560 C LYS A 37 -1.647 4.463 7.815 1.00 0.00 C ATOM 561 O LYS A 37 -0.586 4.187 8.385 1.00 0.00 O ATOM 562 CB LYS A 37 -3.262 3.855 9.654 1.00 0.00 C ATOM 563 CG LYS A 37 -4.264 2.813 10.166 1.00 0.00 C ATOM 564 CD LYS A 37 -4.488 2.935 11.666 1.00 0.00 C ATOM 565 CE LYS A 37 -5.583 3.934 11.996 1.00 0.00 C ATOM 566 NZ LYS A 37 -5.481 4.424 13.399 1.00 0.00 N ATOM 0 H LYS A 37 -1.997 1.860 8.253 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.755 4.155 7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.338 3.769 10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.661 4.852 9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.214 2.935 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.899 1.813 9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.752 1.959 12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.560 3.242 12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.522 4.779 11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.557 3.469 11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.246 5.104 13.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.564 3.621 14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.562 4.890 13.538 1.00 0.00 H new ATOM 580 N VAL A 38 -1.724 5.396 6.874 1.00 0.00 N ATOM 581 CA VAL A 38 -0.549 6.149 6.436 1.00 0.00 C ATOM 582 C VAL A 38 -0.864 7.639 6.349 1.00 0.00 C ATOM 583 O VAL A 38 -2.016 8.042 6.375 1.00 0.00 O ATOM 584 CB VAL A 38 -0.008 5.659 5.060 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.393 4.189 5.119 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.032 5.889 3.960 1.00 0.00 C ATOM 0 H VAL A 38 -2.589 5.652 6.397 1.00 0.00 H new ATOM 0 HA VAL A 38 0.225 5.977 7.184 1.00 0.00 H new ATOM 0 HB VAL A 38 0.882 6.244 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.767 3.874 4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.174 4.055 5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.474 3.586 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.630 5.538 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.945 5.341 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.256 6.953 3.889 1.00 0.00 H new ATOM 596 N LYS A 39 0.157 8.456 6.236 1.00 0.00 N ATOM 597 CA LYS A 39 -0.026 9.895 6.177 1.00 0.00 C ATOM 598 C LYS A 39 -0.204 10.357 4.721 1.00 0.00 C ATOM 599 O LYS A 39 0.035 9.596 3.791 1.00 0.00 O ATOM 600 CB LYS A 39 1.163 10.582 6.830 1.00 0.00 C ATOM 601 CG LYS A 39 0.963 12.052 7.079 1.00 0.00 C ATOM 602 CD LYS A 39 2.137 12.648 7.808 1.00 0.00 C ATOM 603 CE LYS A 39 1.916 14.118 8.073 1.00 0.00 C ATOM 604 NZ LYS A 39 3.067 14.734 8.776 1.00 0.00 N ATOM 0 H LYS A 39 1.129 8.151 6.183 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.930 10.168 6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.377 10.090 7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.040 10.448 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.822 12.568 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.055 12.204 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.289 12.123 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.043 12.513 7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.749 14.636 7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.014 14.247 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.875 15.743 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.212 14.258 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.923 14.634 8.194 1.00 0.00 H new ATOM 618 N MET A 40 -0.627 11.605 4.516 1.00 0.00 N ATOM 619 CA MET A 40 -0.862 12.113 3.163 1.00 0.00 C ATOM 620 C MET A 40 0.424 12.514 2.457 1.00 0.00 C ATOM 621 O MET A 40 0.578 12.302 1.254 1.00 0.00 O ATOM 622 CB MET A 40 -1.832 13.300 3.179 1.00 0.00 C ATOM 623 CG MET A 40 -3.270 12.926 3.482 1.00 0.00 C ATOM 624 SD MET A 40 -4.377 13.236 2.090 1.00 0.00 S ATOM 625 CE MET A 40 -3.614 12.230 0.821 1.00 0.00 C ATOM 0 H MET A 40 -0.812 12.277 5.261 1.00 0.00 H new ATOM 0 HA MET A 40 -1.307 11.290 2.603 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.492 14.022 3.922 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.795 13.798 2.210 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.318 11.871 3.751 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.614 13.492 4.348 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.073 12.451 -0.143 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.548 12.450 0.774 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.757 11.176 1.058 1.00 0.00 H new ATOM 635 N THR A 41 1.355 13.079 3.198 1.00 0.00 N ATOM 636 CA THR A 41 2.593 13.566 2.615 1.00 0.00 C ATOM 637 C THR A 41 3.709 12.511 2.688 1.00 0.00 C ATOM 638 O THR A 41 4.899 12.830 2.566 1.00 0.00 O ATOM 639 CB THR A 41 3.049 14.876 3.312 1.00 0.00 C ATOM 640 OG1 THR A 41 4.185 15.432 2.636 1.00 0.00 O ATOM 641 CG2 THR A 41 3.405 14.622 4.768 1.00 0.00 C ATOM 0 H THR A 41 1.280 13.213 4.206 1.00 0.00 H new ATOM 0 HA THR A 41 2.397 13.774 1.563 1.00 0.00 H new ATOM 0 HB THR A 41 2.219 15.582 3.270 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.804 14.713 2.392 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.721 15.556 5.233 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.533 14.232 5.293 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.216 13.896 4.823 1.00 0.00 H new ATOM 649 N THR A 42 3.335 11.257 2.859 1.00 0.00 N ATOM 650 CA THR A 42 4.313 10.189 2.937 1.00 0.00 C ATOM 651 C THR A 42 4.412 9.475 1.594 1.00 0.00 C ATOM 652 O THR A 42 3.636 9.744 0.674 1.00 0.00 O ATOM 653 CB THR A 42 3.959 9.162 4.045 1.00 0.00 C ATOM 654 OG1 THR A 42 5.092 8.332 4.318 1.00 0.00 O ATOM 655 CG2 THR A 42 2.795 8.280 3.617 1.00 0.00 C ATOM 0 H THR A 42 2.365 10.954 2.946 1.00 0.00 H new ATOM 0 HA THR A 42 5.272 10.640 3.190 1.00 0.00 H new ATOM 0 HB THR A 42 3.675 9.716 4.940 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.920 7.798 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.566 7.569 4.411 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.920 8.901 3.423 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.064 7.738 2.710 1.00 0.00 H new ATOM 663 N HIS A 43 5.360 8.568 1.473 1.00 0.00 N ATOM 664 CA HIS A 43 5.529 7.819 0.248 1.00 0.00 C ATOM 665 C HIS A 43 4.672 6.568 0.243 1.00 0.00 C ATOM 666 O HIS A 43 4.512 5.893 1.262 1.00 0.00 O ATOM 667 CB HIS A 43 6.994 7.464 0.010 1.00 0.00 C ATOM 668 CG HIS A 43 7.800 8.587 -0.554 1.00 0.00 C ATOM 669 ND1 HIS A 43 7.431 9.634 -1.325 1.00 0.00 N flip ATOM 670 CD2 HIS A 43 9.158 8.702 -0.386 1.00 0.00 C flip ATOM 671 CE1 HIS A 43 8.561 10.347 -1.605 1.00 0.00 C flip ATOM 672 NE2 HIS A 43 9.591 9.766 -1.027 1.00 0.00 N flip ATOM 0 H HIS A 43 6.025 8.333 2.210 1.00 0.00 H new ATOM 0 HA HIS A 43 5.199 8.460 -0.569 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.439 7.147 0.953 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.047 6.614 -0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.775 8.024 0.184 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.603 11.244 -2.205 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.559 10.086 -1.069 1.00 0.00 H new ATOM 681 N LEU A 44 4.132 6.253 -0.919 1.00 0.00 N ATOM 682 CA LEU A 44 3.267 5.096 -1.106 1.00 0.00 C ATOM 683 C LEU A 44 4.083 3.823 -0.991 1.00 0.00 C ATOM 684 O LEU A 44 3.548 2.744 -0.771 1.00 0.00 O ATOM 685 CB LEU A 44 2.614 5.163 -2.495 1.00 0.00 C ATOM 686 CG LEU A 44 1.095 4.956 -2.567 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.709 3.565 -2.114 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.372 6.003 -1.748 1.00 0.00 C ATOM 0 H LEU A 44 4.281 6.796 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 44 2.492 5.098 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.843 6.136 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.088 4.412 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 44 0.794 5.065 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.373 3.449 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.191 2.827 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.031 3.416 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.703 5.837 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.688 5.932 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.610 6.995 -2.133 1.00 0.00 H new ATOM 700 N LYS A 45 5.393 3.962 -1.131 1.00 0.00 N ATOM 701 CA LYS A 45 6.301 2.836 -1.091 1.00 0.00 C ATOM 702 C LYS A 45 6.128 1.995 0.176 1.00 0.00 C ATOM 703 O LYS A 45 6.049 0.774 0.100 1.00 0.00 O ATOM 704 CB LYS A 45 7.751 3.311 -1.257 1.00 0.00 C ATOM 705 CG LYS A 45 8.237 4.278 -0.186 1.00 0.00 C ATOM 706 CD LYS A 45 8.930 3.551 0.964 1.00 0.00 C ATOM 707 CE LYS A 45 10.191 2.830 0.507 1.00 0.00 C ATOM 708 NZ LYS A 45 10.707 1.908 1.554 1.00 0.00 N ATOM 0 H LYS A 45 5.852 4.861 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 45 6.054 2.184 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.405 2.439 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.851 3.790 -2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.927 4.995 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.391 4.847 0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.185 4.268 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.241 2.831 1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.979 2.267 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.959 3.562 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.699 1.672 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.645 2.369 2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.138 1.037 1.561 1.00 0.00 H new ATOM 722 N LYS A 46 6.015 2.654 1.338 1.00 0.00 N ATOM 723 CA LYS A 46 5.886 1.943 2.610 1.00 0.00 C ATOM 724 C LYS A 46 4.558 1.212 2.679 1.00 0.00 C ATOM 725 O LYS A 46 4.427 0.184 3.334 1.00 0.00 O ATOM 726 CB LYS A 46 6.034 2.905 3.804 1.00 0.00 C ATOM 727 CG LYS A 46 4.923 3.945 3.927 1.00 0.00 C ATOM 728 CD LYS A 46 5.144 4.866 5.126 1.00 0.00 C ATOM 729 CE LYS A 46 5.178 4.089 6.440 1.00 0.00 C ATOM 730 NZ LYS A 46 5.387 4.979 7.611 1.00 0.00 N ATOM 0 H LYS A 46 6.011 3.671 1.420 1.00 0.00 H new ATOM 0 HA LYS A 46 6.691 1.210 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.068 2.319 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.990 3.422 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.878 4.539 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.962 3.441 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.081 5.408 5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.348 5.610 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.242 3.544 6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.976 3.348 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.403 4.410 8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.292 5.481 7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.612 5.670 7.664 1.00 0.00 H new ATOM 744 N LEU A 47 3.581 1.744 1.982 1.00 0.00 N ATOM 745 CA LEU A 47 2.256 1.174 1.915 1.00 0.00 C ATOM 746 C LEU A 47 2.280 -0.101 1.069 1.00 0.00 C ATOM 747 O LEU A 47 1.751 -1.143 1.466 1.00 0.00 O ATOM 748 CB LEU A 47 1.314 2.231 1.309 1.00 0.00 C ATOM 749 CG LEU A 47 -0.190 1.921 1.261 1.00 0.00 C ATOM 750 CD1 LEU A 47 -0.971 3.218 1.086 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.518 0.964 0.118 1.00 0.00 C ATOM 0 H LEU A 47 3.687 2.599 1.437 1.00 0.00 H new ATOM 0 HA LEU A 47 1.901 0.900 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.446 3.156 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.646 2.428 0.290 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.473 1.442 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.038 2.998 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.764 3.883 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.670 3.701 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.589 0.762 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.225 1.415 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.026 0.030 0.258 1.00 0.00 H new ATOM 763 N LYS A 48 2.916 -0.013 -0.098 1.00 0.00 N ATOM 764 CA LYS A 48 3.014 -1.142 -1.032 1.00 0.00 C ATOM 765 C LYS A 48 3.696 -2.327 -0.363 1.00 0.00 C ATOM 766 O LYS A 48 3.206 -3.453 -0.406 1.00 0.00 O ATOM 767 CB LYS A 48 3.815 -0.741 -2.277 1.00 0.00 C ATOM 768 CG LYS A 48 3.425 0.601 -2.863 1.00 0.00 C ATOM 769 CD LYS A 48 4.534 1.171 -3.739 1.00 0.00 C ATOM 770 CE LYS A 48 4.658 0.435 -5.046 1.00 0.00 C ATOM 771 NZ LYS A 48 5.890 0.816 -5.778 1.00 0.00 N ATOM 0 H LYS A 48 3.377 0.836 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 48 2.003 -1.424 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.874 -0.719 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.687 -1.509 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.515 0.491 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.201 1.300 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.336 2.225 -3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.482 1.119 -3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.664 -0.639 -4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.787 0.646 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.329 -0.034 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.649 1.480 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.557 1.270 -5.122 1.00 0.00 H new ATOM 785 N GLU A 49 4.818 -2.059 0.279 1.00 0.00 N ATOM 786 CA GLU A 49 5.582 -3.102 0.951 1.00 0.00 C ATOM 787 C GLU A 49 4.824 -3.626 2.173 1.00 0.00 C ATOM 788 O GLU A 49 4.904 -4.808 2.508 1.00 0.00 O ATOM 789 CB GLU A 49 6.987 -2.600 1.349 1.00 0.00 C ATOM 790 CG GLU A 49 6.991 -1.253 2.050 1.00 0.00 C ATOM 791 CD GLU A 49 8.335 -0.890 2.664 1.00 0.00 C ATOM 792 OE1 GLU A 49 9.209 -0.355 1.942 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.520 -1.127 3.881 1.00 0.00 O ATOM 0 H GLU A 49 5.224 -1.126 0.351 1.00 0.00 H new ATOM 0 HA GLU A 49 5.711 -3.926 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.453 -3.338 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.604 -2.533 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.707 -0.480 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.233 -1.258 2.833 1.00 0.00 H new ATOM 800 N SER A 50 4.053 -2.749 2.811 1.00 0.00 N ATOM 801 CA SER A 50 3.295 -3.108 3.999 1.00 0.00 C ATOM 802 C SER A 50 2.181 -4.102 3.666 1.00 0.00 C ATOM 803 O SER A 50 2.015 -5.122 4.342 1.00 0.00 O ATOM 804 CB SER A 50 2.703 -1.853 4.655 1.00 0.00 C ATOM 805 OG SER A 50 2.057 -2.158 5.881 1.00 0.00 O ATOM 0 H SER A 50 3.939 -1.778 2.520 1.00 0.00 H new ATOM 0 HA SER A 50 3.979 -3.587 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.496 -1.126 4.832 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.990 -1.388 3.974 1.00 0.00 H new ATOM 0 HG SER A 50 1.693 -1.336 6.272 1.00 0.00 H new ATOM 811 N TYR A 51 1.434 -3.842 2.607 1.00 0.00 N ATOM 812 CA TYR A 51 0.328 -4.712 2.277 1.00 0.00 C ATOM 813 C TYR A 51 0.834 -6.006 1.649 1.00 0.00 C ATOM 814 O TYR A 51 0.254 -7.076 1.844 1.00 0.00 O ATOM 815 CB TYR A 51 -0.714 -4.003 1.380 1.00 0.00 C ATOM 816 CG TYR A 51 -0.458 -4.079 -0.114 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.842 -5.197 -0.841 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.147 -3.037 -0.794 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.627 -5.278 -2.195 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.367 -3.111 -2.159 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.022 -4.234 -2.849 1.00 0.00 C ATOM 822 OH TYR A 51 0.194 -4.312 -4.199 1.00 0.00 O ATOM 0 H TYR A 51 1.571 -3.053 1.976 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.186 -4.969 3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.694 -4.433 1.584 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.760 -2.953 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.320 -6.021 -0.331 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.452 -2.154 -0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.932 -6.158 -2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.841 -2.291 -2.678 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.463 -4.918 -4.601 1.00 0.00 H new ATOM 832 N CYS A 52 1.939 -5.918 0.907 1.00 0.00 N ATOM 833 CA CYS A 52 2.523 -7.090 0.274 1.00 0.00 C ATOM 834 C CYS A 52 2.968 -8.096 1.313 1.00 0.00 C ATOM 835 O CYS A 52 2.697 -9.298 1.190 1.00 0.00 O ATOM 836 CB CYS A 52 3.697 -6.704 -0.622 1.00 0.00 C ATOM 837 SG CYS A 52 3.218 -5.824 -2.124 1.00 0.00 S ATOM 0 H CYS A 52 2.442 -5.048 0.733 1.00 0.00 H new ATOM 0 HA CYS A 52 1.754 -7.548 -0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.386 -6.080 -0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.240 -7.607 -0.900 1.00 0.00 H new ATOM 0 HG CYS A 52 3.066 -4.561 -1.857 1.00 0.00 H new ATOM 843 N GLN A 53 3.622 -7.614 2.363 1.00 0.00 N ATOM 844 CA GLN A 53 4.092 -8.497 3.409 1.00 0.00 C ATOM 845 C GLN A 53 2.919 -9.089 4.174 1.00 0.00 C ATOM 846 O GLN A 53 2.988 -10.220 4.646 1.00 0.00 O ATOM 847 CB GLN A 53 5.065 -7.791 4.366 1.00 0.00 C ATOM 848 CG GLN A 53 4.458 -6.627 5.122 1.00 0.00 C ATOM 849 CD GLN A 53 5.395 -6.039 6.153 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.615 -6.089 6.004 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.831 -5.471 7.198 1.00 0.00 N ATOM 0 H GLN A 53 3.834 -6.627 2.507 1.00 0.00 H new ATOM 0 HA GLN A 53 4.643 -9.306 2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.443 -8.519 5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.922 -7.432 3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.173 -5.850 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.545 -6.958 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.815 -5.452 7.282 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.410 -5.050 7.924 1.00 0.00 H new ATOM 860 N ARG A 54 1.828 -8.321 4.312 1.00 0.00 N ATOM 861 CA ARG A 54 0.623 -8.816 4.983 1.00 0.00 C ATOM 862 C ARG A 54 0.097 -10.066 4.308 1.00 0.00 C ATOM 863 O ARG A 54 -0.244 -11.053 4.964 1.00 0.00 O ATOM 864 CB ARG A 54 -0.461 -7.741 4.993 1.00 0.00 C ATOM 865 CG ARG A 54 -0.196 -6.605 5.952 1.00 0.00 C ATOM 866 CD ARG A 54 -0.282 -7.071 7.388 1.00 0.00 C ATOM 867 NE ARG A 54 -0.021 -5.988 8.323 1.00 0.00 N ATOM 868 CZ ARG A 54 -0.688 -5.793 9.456 1.00 0.00 C ATOM 869 NH1 ARG A 54 -1.693 -6.598 9.787 1.00 0.00 N ATOM 870 NH2 ARG A 54 -0.358 -4.784 10.252 1.00 0.00 N ATOM 0 H ARG A 54 1.758 -7.363 3.970 1.00 0.00 H new ATOM 0 HA ARG A 54 0.892 -9.064 6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.564 -7.336 3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.414 -8.204 5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.792 -6.187 5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.918 -5.806 5.782 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.273 -7.484 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.435 -7.875 7.553 1.00 0.00 H new ATOM 0 HE ARG A 54 0.726 -5.332 8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.954 -7.368 9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.203 -6.446 10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.406 -4.160 9.994 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.869 -4.633 11.122 1.00 0.00 H new ATOM 884 N GLN A 55 0.047 -10.033 2.991 1.00 0.00 N ATOM 885 CA GLN A 55 -0.425 -11.166 2.208 1.00 0.00 C ATOM 886 C GLN A 55 0.586 -12.299 2.243 1.00 0.00 C ATOM 887 O GLN A 55 0.250 -13.458 1.995 1.00 0.00 O ATOM 888 CB GLN A 55 -0.663 -10.736 0.771 1.00 0.00 C ATOM 889 CG GLN A 55 -1.783 -9.725 0.613 1.00 0.00 C ATOM 890 CD GLN A 55 -1.548 -8.773 -0.541 1.00 0.00 C ATOM 891 OE1 GLN A 55 -0.298 -8.412 -0.759 1.00 0.00 O flip ATOM 892 NE2 GLN A 55 -2.487 -8.342 -1.209 1.00 0.00 N flip ATOM 0 H GLN A 55 0.330 -9.227 2.433 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.361 -11.520 2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.257 -10.310 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.893 -11.617 0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.724 -10.252 0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.885 -9.154 1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.439 -8.647 -1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.313 -7.679 -1.965 1.00 0.00 H new ATOM 901 N GLY A 56 1.824 -11.966 2.565 1.00 0.00 N ATOM 902 CA GLY A 56 2.865 -12.960 2.624 1.00 0.00 C ATOM 903 C GLY A 56 3.390 -13.292 1.255 1.00 0.00 C ATOM 904 O GLY A 56 3.825 -14.414 0.995 1.00 0.00 O ATOM 0 H GLY A 56 2.125 -11.017 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.681 -12.597 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.480 -13.864 3.096 1.00 0.00 H new ATOM 908 N VAL A 57 3.355 -12.318 0.360 1.00 0.00 N ATOM 909 CA VAL A 57 3.804 -12.517 -1.007 1.00 0.00 C ATOM 910 C VAL A 57 4.790 -11.430 -1.414 1.00 0.00 C ATOM 911 O VAL A 57 4.767 -10.323 -0.862 1.00 0.00 O ATOM 912 CB VAL A 57 2.615 -12.526 -2.006 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.616 -13.610 -1.649 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.933 -11.168 -2.050 1.00 0.00 C ATOM 0 H VAL A 57 3.018 -11.376 0.558 1.00 0.00 H new ATOM 0 HA VAL A 57 4.296 -13.489 -1.042 1.00 0.00 H new ATOM 0 HB VAL A 57 3.014 -12.741 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.793 -13.596 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.107 -14.582 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.229 -13.432 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.104 -11.200 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.555 -10.918 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.650 -10.411 -2.366 1.00 0.00 H new ATOM 924 N PRO A 58 5.690 -11.735 -2.354 1.00 0.00 N ATOM 925 CA PRO A 58 6.647 -10.763 -2.860 1.00 0.00 C ATOM 926 C PRO A 58 5.974 -9.702 -3.740 1.00 0.00 C ATOM 927 O PRO A 58 4.968 -9.968 -4.415 1.00 0.00 O ATOM 928 CB PRO A 58 7.622 -11.604 -3.680 1.00 0.00 C ATOM 929 CG PRO A 58 6.851 -12.816 -4.072 1.00 0.00 C ATOM 930 CD PRO A 58 5.860 -13.064 -2.974 1.00 0.00 C ATOM 0 HA PRO A 58 7.129 -10.207 -2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.973 -11.059 -4.556 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.503 -11.869 -3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.344 -12.662 -5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.513 -13.673 -4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.917 -13.448 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.231 -13.797 -2.257 1.00 0.00 H new ATOM 938 N MET A 59 6.548 -8.507 -3.752 1.00 0.00 N ATOM 939 CA MET A 59 5.997 -7.372 -4.498 1.00 0.00 C ATOM 940 C MET A 59 6.145 -7.570 -6.008 1.00 0.00 C ATOM 941 O MET A 59 5.582 -6.826 -6.803 1.00 0.00 O ATOM 942 CB MET A 59 6.697 -6.075 -4.073 1.00 0.00 C ATOM 943 CG MET A 59 6.663 -5.830 -2.570 1.00 0.00 C ATOM 944 SD MET A 59 7.605 -4.375 -2.063 1.00 0.00 S ATOM 945 CE MET A 59 6.567 -3.058 -2.689 1.00 0.00 C ATOM 0 H MET A 59 7.408 -8.292 -3.247 1.00 0.00 H new ATOM 0 HA MET A 59 4.934 -7.305 -4.268 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.735 -6.106 -4.405 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.225 -5.234 -4.581 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.627 -5.713 -2.251 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.058 -6.707 -2.057 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.920 -2.102 -2.303 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.610 -3.048 -3.778 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.538 -3.222 -2.368 1.00 0.00 H new ATOM 955 N ASN A 60 6.899 -8.583 -6.395 1.00 0.00 N ATOM 956 CA ASN A 60 7.141 -8.880 -7.807 1.00 0.00 C ATOM 957 C ASN A 60 6.022 -9.724 -8.395 1.00 0.00 C ATOM 958 O ASN A 60 5.878 -9.833 -9.606 1.00 0.00 O ATOM 959 CB ASN A 60 8.489 -9.613 -7.981 1.00 0.00 C ATOM 960 CG ASN A 60 8.579 -10.935 -7.196 1.00 0.00 C ATOM 961 OD1 ASN A 60 7.581 -11.620 -6.973 1.00 0.00 O ATOM 962 ND2 ASN A 60 9.771 -11.295 -6.779 1.00 0.00 N ATOM 0 H ASN A 60 7.361 -9.223 -5.749 1.00 0.00 H new ATOM 0 HA ASN A 60 7.174 -7.931 -8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.648 -9.818 -9.040 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.295 -8.954 -7.660 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.888 -12.163 -6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.580 -10.707 -6.979 1.00 0.00 H new ATOM 969 N SER A 61 5.232 -10.322 -7.537 1.00 0.00 N ATOM 970 CA SER A 61 4.198 -11.226 -7.965 1.00 0.00 C ATOM 971 C SER A 61 2.875 -10.527 -8.231 1.00 0.00 C ATOM 972 O SER A 61 2.017 -11.051 -8.945 1.00 0.00 O ATOM 973 CB SER A 61 4.022 -12.302 -6.916 1.00 0.00 C ATOM 974 OG SER A 61 5.207 -13.067 -6.784 1.00 0.00 O ATOM 0 H SER A 61 5.289 -10.195 -6.527 1.00 0.00 H new ATOM 0 HA SER A 61 4.510 -11.664 -8.913 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.768 -11.846 -5.959 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.191 -12.952 -7.190 1.00 0.00 H new ATOM 0 HG SER A 61 5.982 -12.510 -7.007 1.00 0.00 H new ATOM 980 N LEU A 62 2.690 -9.359 -7.677 1.00 0.00 N ATOM 981 CA LEU A 62 1.433 -8.665 -7.844 1.00 0.00 C ATOM 982 C LEU A 62 1.599 -7.268 -8.428 1.00 0.00 C ATOM 983 O LEU A 62 2.708 -6.755 -8.548 1.00 0.00 O ATOM 984 CB LEU A 62 0.653 -8.651 -6.534 1.00 0.00 C ATOM 985 CG LEU A 62 1.451 -8.344 -5.266 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.914 -6.896 -5.238 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.625 -8.672 -4.041 1.00 0.00 C ATOM 0 H LEU A 62 3.383 -8.869 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 62 0.852 -9.220 -8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.146 -7.914 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.177 -9.624 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 62 2.344 -8.970 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.478 -6.712 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.549 -6.700 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.047 -6.236 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.202 -8.450 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.285 -8.073 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.363 -9.730 -4.052 1.00 0.00 H new ATOM 999 N ARG A 63 0.481 -6.657 -8.777 1.00 0.00 N ATOM 1000 CA ARG A 63 0.467 -5.348 -9.405 1.00 0.00 C ATOM 1001 C ARG A 63 -0.335 -4.363 -8.580 1.00 0.00 C ATOM 1002 O ARG A 63 -1.518 -4.571 -8.329 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.124 -5.436 -10.814 1.00 0.00 C ATOM 1004 CG ARG A 63 0.667 -6.320 -11.755 1.00 0.00 C ATOM 1005 CD ARG A 63 0.079 -6.322 -13.156 1.00 0.00 C ATOM 1006 NE ARG A 63 -1.104 -7.185 -13.275 1.00 0.00 N ATOM 1007 CZ ARG A 63 -2.240 -6.828 -13.885 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -2.402 -5.595 -14.342 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -3.220 -7.709 -14.025 1.00 0.00 N ATOM 0 H ARG A 63 -0.446 -7.056 -8.632 1.00 0.00 H new ATOM 0 HA ARG A 63 1.497 -4.997 -9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.144 -5.814 -10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.183 -4.433 -11.236 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.700 -5.975 -11.795 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.686 -7.339 -11.367 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.191 -5.303 -13.433 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.839 -6.655 -13.864 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.056 -8.118 -12.866 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.657 -4.908 -14.230 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.272 -5.333 -14.806 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.108 -8.658 -13.668 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.087 -7.438 -14.490 1.00 0.00 H new ATOM 1023 N PHE A 64 0.306 -3.301 -8.157 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.345 -2.266 -7.371 1.00 0.00 C ATOM 1025 C PHE A 64 -0.664 -1.047 -8.229 1.00 0.00 C ATOM 1026 O PHE A 64 0.239 -0.368 -8.736 1.00 0.00 O ATOM 1027 CB PHE A 64 0.529 -1.866 -6.166 1.00 0.00 C ATOM 1028 CG PHE A 64 2.017 -2.099 -6.369 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.704 -1.472 -7.398 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.718 -2.953 -5.528 1.00 0.00 C ATOM 1031 CE1 PHE A 64 4.054 -1.694 -7.588 1.00 0.00 C ATOM 1032 CE2 PHE A 64 4.069 -3.177 -5.712 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.738 -2.548 -6.745 1.00 0.00 C ATOM 0 H PHE A 64 1.293 -3.124 -8.344 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.285 -2.671 -6.996 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.365 -0.811 -5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.201 -2.428 -5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.176 -0.801 -8.060 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.201 -3.448 -4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.574 -1.200 -8.395 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.602 -3.843 -5.049 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.793 -2.724 -6.893 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.942 -0.759 -8.401 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.351 0.373 -9.201 1.00 0.00 C ATOM 1045 C LEU A 65 -3.601 1.038 -8.622 1.00 0.00 C ATOM 1046 O LEU A 65 -4.303 0.469 -7.789 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.548 -0.035 -10.700 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.830 -0.804 -11.093 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.103 -1.948 -10.154 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.029 0.132 -11.191 1.00 0.00 C ATOM 0 H LEU A 65 -2.710 -1.294 -7.997 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.550 1.112 -9.170 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.511 0.875 -11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.693 -0.644 -10.993 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.662 -1.231 -12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.012 -2.464 -10.463 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.265 -2.645 -10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.230 -1.565 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.915 -0.439 -11.469 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.195 0.613 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.836 0.893 -11.947 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.873 2.240 -9.062 1.00 0.00 N ATOM 1063 CA PHE A 66 -5.027 2.987 -8.622 1.00 0.00 C ATOM 1064 C PHE A 66 -5.581 3.783 -9.773 1.00 0.00 C ATOM 1065 O PHE A 66 -4.824 4.405 -10.502 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.646 3.916 -7.472 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.743 4.836 -7.047 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.794 4.367 -6.295 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.715 6.175 -7.395 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.803 5.211 -5.893 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.721 7.026 -7.000 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.767 6.545 -6.246 1.00 0.00 C ATOM 0 H PHE A 66 -3.295 2.734 -9.742 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.789 2.293 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.340 3.313 -6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.782 4.510 -7.769 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.828 3.324 -6.017 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.894 6.556 -7.984 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.623 4.830 -5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.690 8.068 -7.281 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.558 7.210 -5.931 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.909 3.744 -9.950 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.626 4.462 -11.026 1.00 0.00 C ATOM 1084 C GLU A 67 -7.008 4.222 -12.417 1.00 0.00 C ATOM 1085 O GLU A 67 -7.168 5.028 -13.335 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.752 5.975 -10.733 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.458 6.751 -10.827 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.686 8.239 -10.932 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.969 8.877 -9.896 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.590 8.783 -12.054 1.00 0.00 O ATOM 0 H GLU A 67 -7.529 3.207 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.631 4.041 -11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.469 6.407 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.164 6.103 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.847 6.541 -9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.895 6.410 -11.696 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.361 3.087 -12.585 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.736 2.767 -13.850 1.00 0.00 C ATOM 1099 C GLY A 68 -4.319 3.297 -13.968 1.00 0.00 C ATOM 1100 O GLY A 68 -3.797 3.448 -15.069 1.00 0.00 O ATOM 0 H GLY A 68 -6.255 2.374 -11.864 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.724 1.685 -13.978 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.339 3.177 -14.660 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.689 3.578 -12.844 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.319 4.076 -12.840 1.00 0.00 C ATOM 1106 C GLN A 69 -1.493 3.224 -11.896 1.00 0.00 C ATOM 1107 O GLN A 69 -1.935 2.908 -10.796 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.274 5.555 -12.390 1.00 0.00 C ATOM 1109 CG GLN A 69 -2.004 5.742 -10.900 1.00 0.00 C ATOM 1110 CD GLN A 69 -2.205 7.155 -10.423 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -1.295 7.979 -10.476 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.381 7.426 -9.907 1.00 0.00 N ATOM 0 H GLN A 69 -4.102 3.471 -11.917 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.913 4.017 -13.850 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.501 6.073 -12.957 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.223 6.029 -12.639 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.660 5.080 -10.335 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.980 5.437 -10.684 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.106 6.709 -9.885 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.570 8.354 -9.528 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.319 2.816 -12.308 1.00 0.00 N ATOM 1122 CA ARG A 70 0.520 2.013 -11.448 1.00 0.00 C ATOM 1123 C ARG A 70 1.099 2.856 -10.322 1.00 0.00 C ATOM 1124 O ARG A 70 1.402 4.045 -10.496 1.00 0.00 O ATOM 1125 CB ARG A 70 1.623 1.309 -12.259 1.00 0.00 C ATOM 1126 CG ARG A 70 2.716 2.224 -12.811 1.00 0.00 C ATOM 1127 CD ARG A 70 3.876 2.375 -11.832 1.00 0.00 C ATOM 1128 NE ARG A 70 4.357 1.076 -11.351 1.00 0.00 N ATOM 1129 CZ ARG A 70 5.627 0.777 -11.093 1.00 0.00 C ATOM 1130 NH1 ARG A 70 6.592 1.666 -11.311 1.00 0.00 N ATOM 1131 NH2 ARG A 70 5.931 -0.428 -10.633 1.00 0.00 N ATOM 0 H ARG A 70 0.077 3.023 -13.225 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.095 1.236 -10.994 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.090 0.554 -11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.158 0.783 -13.093 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.086 1.821 -13.754 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.293 3.205 -13.028 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.694 2.908 -12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.559 2.982 -10.984 1.00 0.00 H new ATOM 0 HE ARG A 70 3.663 0.344 -11.203 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.362 2.589 -11.680 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.562 1.425 -11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.194 -1.116 -10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.902 -0.667 -10.432 1.00 0.00 H new ATOM 1145 N ILE A 71 1.245 2.263 -9.166 1.00 0.00 N ATOM 1146 CA ILE A 71 1.749 2.980 -8.026 1.00 0.00 C ATOM 1147 C ILE A 71 3.259 2.853 -7.934 1.00 0.00 C ATOM 1148 O ILE A 71 3.803 1.756 -7.847 1.00 0.00 O ATOM 1149 CB ILE A 71 1.123 2.482 -6.706 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.406 2.358 -6.828 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.492 3.414 -5.568 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.103 3.620 -7.300 1.00 0.00 C ATOM 0 H ILE A 71 1.021 1.284 -8.990 1.00 0.00 H new ATOM 0 HA ILE A 71 1.474 4.025 -8.168 1.00 0.00 H new ATOM 0 HB ILE A 71 1.522 1.490 -6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.638 1.549 -7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.814 2.074 -5.858 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.045 3.053 -4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.576 3.444 -5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.121 4.416 -5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.177 3.443 -7.357 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.906 4.429 -6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.728 3.896 -8.285 1.00 0.00 H new ATOM 1164 N ALA A 72 3.939 3.977 -7.953 1.00 0.00 N ATOM 1165 CA ALA A 72 5.371 3.988 -7.855 1.00 0.00 C ATOM 1166 C ALA A 72 5.774 4.186 -6.410 1.00 0.00 C ATOM 1167 O ALA A 72 4.969 4.621 -5.589 1.00 0.00 O ATOM 1168 CB ALA A 72 5.939 5.084 -8.727 1.00 0.00 C ATOM 0 H ALA A 72 3.514 4.900 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 72 5.770 3.035 -8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.026 5.086 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.652 4.910 -9.764 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.550 6.048 -8.400 1.00 0.00 H new ATOM 1174 N ASP A 73 7.009 3.866 -6.088 1.00 0.00 N ATOM 1175 CA ASP A 73 7.509 3.992 -4.721 1.00 0.00 C ATOM 1176 C ASP A 73 7.635 5.451 -4.333 1.00 0.00 C ATOM 1177 O ASP A 73 7.535 5.815 -3.160 1.00 0.00 O ATOM 1178 CB ASP A 73 8.864 3.295 -4.587 1.00 0.00 C ATOM 1179 CG ASP A 73 8.797 1.836 -4.964 1.00 0.00 C ATOM 1180 OD1 ASP A 73 8.082 1.071 -4.284 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.421 1.450 -5.968 1.00 0.00 O ATOM 0 H ASP A 73 7.696 3.513 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 73 6.797 3.514 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.593 3.799 -5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.217 3.387 -3.560 1.00 0.00 H new ATOM 1186 N ASN A 74 7.820 6.298 -5.323 1.00 0.00 N ATOM 1187 CA ASN A 74 7.982 7.716 -5.083 1.00 0.00 C ATOM 1188 C ASN A 74 6.640 8.406 -5.186 1.00 0.00 C ATOM 1189 O ASN A 74 6.541 9.630 -5.094 1.00 0.00 O ATOM 1190 CB ASN A 74 8.944 8.333 -6.101 1.00 0.00 C ATOM 1191 CG ASN A 74 10.171 7.489 -6.331 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.191 7.648 -5.659 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.087 6.592 -7.297 1.00 0.00 N ATOM 0 H ASN A 74 7.862 6.028 -6.306 1.00 0.00 H new ATOM 0 HA ASN A 74 8.394 7.850 -4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.423 8.474 -7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.248 9.321 -5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.887 5.997 -7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.222 6.494 -7.829 1.00 0.00 H new ATOM 1200 N HIS A 75 5.588 7.618 -5.368 1.00 0.00 N ATOM 1201 CA HIS A 75 4.251 8.173 -5.495 1.00 0.00 C ATOM 1202 C HIS A 75 3.675 8.430 -4.138 1.00 0.00 C ATOM 1203 O HIS A 75 3.975 7.721 -3.188 1.00 0.00 O ATOM 1204 CB HIS A 75 3.327 7.247 -6.288 1.00 0.00 C ATOM 1205 CG HIS A 75 3.321 7.517 -7.756 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.582 6.779 -8.663 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.968 8.452 -8.478 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.786 7.250 -9.876 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.624 8.265 -9.790 1.00 0.00 N ATOM 0 H HIS A 75 5.636 6.601 -5.430 1.00 0.00 H new ATOM 0 HA HIS A 75 4.330 9.112 -6.043 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.631 6.214 -6.119 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.311 7.347 -5.905 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.635 9.209 -8.093 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.343 6.870 -10.785 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.962 8.822 -10.575 1.00 0.00 H new ATOM 1218 N THR A 76 2.886 9.461 -4.021 1.00 0.00 N ATOM 1219 CA THR A 76 2.258 9.779 -2.746 1.00 0.00 C ATOM 1220 C THR A 76 0.743 9.778 -2.864 1.00 0.00 C ATOM 1221 O THR A 76 0.196 9.993 -3.954 1.00 0.00 O ATOM 1222 CB THR A 76 2.725 11.151 -2.213 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.282 12.187 -3.082 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.229 11.197 -2.122 1.00 0.00 C ATOM 0 H THR A 76 2.656 10.100 -4.782 1.00 0.00 H new ATOM 0 HA THR A 76 2.563 9.004 -2.042 1.00 0.00 H new ATOM 0 HB THR A 76 2.299 11.295 -1.220 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.581 13.054 -2.736 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.541 12.171 -1.745 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.577 10.417 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.658 11.036 -3.111 1.00 0.00 H new ATOM 1232 N PRO A 77 0.038 9.528 -1.743 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.423 9.512 -1.717 1.00 0.00 C ATOM 1234 C PRO A 77 -2.011 10.847 -2.162 1.00 0.00 C ATOM 1235 O PRO A 77 -2.994 10.897 -2.895 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.760 9.257 -0.240 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.536 8.652 0.344 1.00 0.00 C ATOM 1238 CD PRO A 77 0.619 9.229 -0.416 1.00 0.00 C ATOM 0 HA PRO A 77 -1.833 8.763 -2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.021 10.185 0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.615 8.588 -0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.457 8.882 1.406 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.558 7.566 0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.008 10.127 0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.446 8.522 -0.489 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.385 11.940 -1.739 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.872 13.274 -2.067 1.00 0.00 C ATOM 1248 C LYS A 78 -1.698 13.563 -3.552 1.00 0.00 C ATOM 1249 O LYS A 78 -2.539 14.204 -4.179 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.149 14.340 -1.243 1.00 0.00 C ATOM 1251 CG LYS A 78 0.339 14.389 -1.502 1.00 0.00 C ATOM 1252 CD LYS A 78 0.911 15.753 -1.204 1.00 0.00 C ATOM 1253 CE LYS A 78 2.241 15.936 -1.899 1.00 0.00 C ATOM 1254 NZ LYS A 78 2.784 17.306 -1.714 1.00 0.00 N ATOM 0 H LYS A 78 -0.540 11.928 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.934 13.307 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.582 15.316 -1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.320 14.148 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.840 13.642 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.536 14.131 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.214 16.525 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.037 15.873 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.955 15.208 -1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.124 15.733 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.696 17.387 -2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.116 18.000 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.921 17.491 -0.700 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.607 13.071 -4.119 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.312 13.288 -5.516 1.00 0.00 C ATOM 1270 C GLU A 79 -1.232 12.473 -6.394 1.00 0.00 C ATOM 1271 O GLU A 79 -1.723 12.954 -7.413 1.00 0.00 O ATOM 1272 CB GLU A 79 1.136 12.936 -5.810 1.00 0.00 C ATOM 1273 CG GLU A 79 2.134 14.025 -5.463 1.00 0.00 C ATOM 1274 CD GLU A 79 1.975 15.251 -6.317 1.00 0.00 C ATOM 1275 OE1 GLU A 79 2.326 15.190 -7.509 1.00 0.00 O ATOM 1276 OE2 GLU A 79 1.513 16.287 -5.797 1.00 0.00 O ATOM 0 H GLU A 79 0.090 12.515 -3.623 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.472 14.343 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.396 12.033 -5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.231 12.699 -6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.016 14.300 -4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.145 13.635 -5.579 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.488 11.232 -5.997 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.346 10.356 -6.784 1.00 0.00 C ATOM 1285 C LEU A 80 -3.821 10.685 -6.573 1.00 0.00 C ATOM 1286 O LEU A 80 -4.700 10.093 -7.199 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.070 8.877 -6.474 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.602 8.416 -6.600 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.524 6.933 -6.884 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.138 9.199 -7.663 1.00 0.00 C ATOM 0 H LEU A 80 -1.118 10.813 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.110 10.530 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.408 8.671 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.679 8.268 -7.142 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.117 8.611 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.521 6.633 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.995 6.381 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.041 6.714 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.168 8.847 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.351 9.056 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.131 10.258 -7.406 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.094 11.631 -5.684 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.458 12.065 -5.450 1.00 0.00 C ATOM 1304 C GLY A 81 -6.238 11.106 -4.584 1.00 0.00 C ATOM 1305 O GLY A 81 -7.387 10.768 -4.886 1.00 0.00 O ATOM 0 H GLY A 81 -3.392 12.108 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.446 13.047 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.967 12.179 -6.407 1.00 0.00 H new ATOM 1309 N MET A 82 -5.625 10.654 -3.515 1.00 0.00 N ATOM 1310 CA MET A 82 -6.265 9.742 -2.589 1.00 0.00 C ATOM 1311 C MET A 82 -6.664 10.482 -1.322 1.00 0.00 C ATOM 1312 O MET A 82 -6.200 11.599 -1.071 1.00 0.00 O ATOM 1313 CB MET A 82 -5.305 8.607 -2.228 1.00 0.00 C ATOM 1314 CG MET A 82 -4.856 7.772 -3.410 1.00 0.00 C ATOM 1315 SD MET A 82 -3.532 6.625 -2.977 1.00 0.00 S ATOM 1316 CE MET A 82 -3.197 5.879 -4.566 1.00 0.00 C ATOM 0 H MET A 82 -4.670 10.906 -3.261 1.00 0.00 H new ATOM 0 HA MET A 82 -7.155 9.329 -3.063 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.426 9.031 -1.742 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.788 7.955 -1.500 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.706 7.212 -3.799 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.516 8.431 -4.209 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.172 5.508 -4.585 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.886 5.051 -4.732 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.328 6.623 -5.352 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.514 9.874 -0.526 1.00 0.00 N ATOM 1327 CA GLU A 83 -7.931 10.452 0.736 1.00 0.00 C ATOM 1328 C GLU A 83 -8.145 9.352 1.764 1.00 0.00 C ATOM 1329 O GLU A 83 -7.780 8.201 1.533 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.203 11.294 0.576 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.427 10.514 0.120 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.695 11.326 0.258 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -12.002 12.125 -0.653 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.380 11.192 1.291 1.00 0.00 O ATOM 0 H GLU A 83 -7.936 8.968 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.140 11.117 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.428 11.773 1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.008 12.090 -0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.300 10.213 -0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.515 9.600 0.708 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.726 9.689 2.900 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.957 8.702 3.930 1.00 0.00 C ATOM 1343 C GLU A 84 -10.045 7.724 3.513 1.00 0.00 C ATOM 1344 O GLU A 84 -11.033 8.102 2.885 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.293 9.359 5.266 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.565 10.178 5.262 1.00 0.00 C ATOM 1347 CD GLU A 84 -10.793 10.864 6.582 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -11.212 10.187 7.544 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -10.536 12.076 6.673 1.00 0.00 O ATOM 0 H GLU A 84 -9.043 10.631 3.129 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.032 8.141 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.378 8.583 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.463 10.002 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.514 10.924 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.413 9.531 5.037 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.821 6.457 3.830 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.736 5.349 3.525 1.00 0.00 C ATOM 1358 C GLU A 85 -10.674 4.968 2.036 1.00 0.00 C ATOM 1359 O GLU A 85 -11.410 4.090 1.564 1.00 0.00 O ATOM 1360 CB GLU A 85 -12.173 5.668 3.977 1.00 0.00 C ATOM 1361 CG GLU A 85 -13.104 4.466 3.983 1.00 0.00 C ATOM 1362 CD GLU A 85 -14.428 4.767 4.638 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -14.519 4.647 5.878 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -15.384 5.119 3.922 1.00 0.00 O ATOM 0 H GLU A 85 -8.978 6.156 4.319 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.407 4.479 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.141 6.094 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.588 6.432 3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.275 4.138 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.623 3.640 4.506 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.796 5.638 1.286 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.609 5.338 -0.135 1.00 0.00 C ATOM 1373 C ASP A 86 -9.106 3.913 -0.321 1.00 0.00 C ATOM 1374 O ASP A 86 -8.515 3.314 0.588 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.634 6.316 -0.779 1.00 0.00 C ATOM 1376 CG ASP A 86 -8.951 6.584 -2.235 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.670 5.767 -2.859 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -8.510 7.626 -2.754 1.00 0.00 O ATOM 0 H ASP A 86 -9.204 6.390 1.638 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.578 5.441 -0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.652 7.257 -0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.622 5.919 -0.699 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.324 3.369 -1.490 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.962 1.999 -1.764 1.00 0.00 C ATOM 1385 C VAL A 87 -8.066 1.892 -2.993 1.00 0.00 C ATOM 1386 O VAL A 87 -8.233 2.617 -3.976 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.226 1.118 -1.960 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.077 1.633 -3.112 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.845 -0.336 -2.182 1.00 0.00 C ATOM 0 H VAL A 87 -9.754 3.857 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.406 1.636 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.820 1.178 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.955 0.998 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.393 2.655 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.493 1.615 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.748 -0.932 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.221 -0.417 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.293 -0.704 -1.317 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.117 0.984 -2.934 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.209 0.748 -4.031 1.00 0.00 C ATOM 1401 C ILE A 88 -6.476 -0.646 -4.601 1.00 0.00 C ATOM 1402 O ILE A 88 -6.925 -1.548 -3.880 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.725 0.867 -3.578 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.520 2.152 -2.773 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.779 0.841 -4.770 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.572 1.946 -1.277 1.00 0.00 C ATOM 0 H ILE A 88 -6.954 0.388 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.378 1.505 -4.796 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.497 0.008 -2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.556 2.586 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.284 2.875 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.750 0.926 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.902 -0.097 -5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.007 1.675 -5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.419 2.900 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.545 1.541 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.790 1.248 -0.978 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.198 -0.836 -5.871 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.485 -2.093 -6.526 1.00 0.00 C ATOM 1420 C GLU A 89 -5.197 -2.856 -6.769 1.00 0.00 C ATOM 1421 O GLU A 89 -4.165 -2.267 -7.104 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.201 -1.838 -7.850 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.691 -3.096 -8.538 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.814 -3.771 -7.787 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -9.906 -3.175 -7.684 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.624 -4.906 -7.319 1.00 0.00 O ATOM 0 H GLU A 89 -5.771 -0.132 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.132 -2.689 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.051 -1.180 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.524 -1.309 -8.521 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.030 -2.847 -9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.860 -3.794 -8.645 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.225 -4.150 -6.560 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.062 -4.967 -6.789 1.00 0.00 C ATOM 1435 C VAL A 90 -4.415 -6.183 -7.636 1.00 0.00 C ATOM 1436 O VAL A 90 -5.428 -6.846 -7.414 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.448 -5.433 -5.455 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.247 -6.345 -5.682 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.060 -4.238 -4.606 1.00 0.00 C ATOM 0 H VAL A 90 -6.045 -4.660 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.332 -4.359 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.204 -6.010 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.839 -6.655 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.560 -7.225 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.483 -5.808 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.628 -4.584 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.328 -3.633 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.945 -3.637 -4.398 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.577 -6.477 -8.600 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.771 -7.619 -9.468 1.00 0.00 C ATOM 1451 C TYR A 91 -2.582 -8.551 -9.347 1.00 0.00 C ATOM 1452 O TYR A 91 -1.667 -8.296 -8.574 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.933 -7.178 -10.920 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.223 -6.452 -11.222 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -5.309 -5.074 -11.106 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -6.351 -7.145 -11.639 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -6.481 -4.406 -11.393 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -7.528 -6.486 -11.928 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.587 -5.115 -11.804 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.757 -4.450 -12.089 1.00 0.00 O ATOM 0 H TYR A 91 -2.740 -5.933 -8.807 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.680 -8.137 -9.164 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.097 -6.529 -11.183 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.869 -8.057 -11.561 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.443 -4.513 -10.785 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.306 -8.219 -11.739 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.531 -3.332 -11.296 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.397 -7.041 -12.249 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.441 -5.095 -12.366 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.590 -9.628 -10.088 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.489 -10.568 -10.071 1.00 0.00 C ATOM 1472 C GLN A 92 -0.670 -10.420 -11.357 1.00 0.00 C ATOM 1473 O GLN A 92 -1.204 -10.031 -12.400 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.025 -12.001 -9.958 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.005 -13.013 -9.456 1.00 0.00 C ATOM 1476 CD GLN A 92 -0.837 -12.979 -7.944 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.506 -13.707 -7.220 1.00 0.00 O ATOM 1478 NE2 GLN A 92 0.052 -12.133 -7.461 1.00 0.00 N ATOM 0 H GLN A 92 -3.352 -9.881 -10.717 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.853 -10.360 -9.211 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.883 -12.004 -9.286 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.385 -12.320 -10.936 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.312 -14.013 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.043 -12.817 -9.929 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.591 -11.542 -8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.201 -12.069 -6.454 1.00 0.00 H new ATOM 1487 N GLU A 93 0.628 -10.676 -11.281 1.00 0.00 N ATOM 1488 CA GLU A 93 1.484 -10.648 -12.475 1.00 0.00 C ATOM 1489 C GLU A 93 2.459 -11.825 -12.480 1.00 0.00 C ATOM 1490 O GLU A 93 3.472 -11.810 -13.186 1.00 0.00 O ATOM 1491 CB GLU A 93 2.252 -9.329 -12.586 1.00 0.00 C ATOM 1492 CG GLU A 93 3.187 -9.044 -11.428 1.00 0.00 C ATOM 1493 CD GLU A 93 4.119 -7.890 -11.721 1.00 0.00 C ATOM 1494 OE1 GLU A 93 5.146 -8.108 -12.405 1.00 0.00 O ATOM 1495 OE2 GLU A 93 3.834 -6.767 -11.277 1.00 0.00 O ATOM 0 H GLU A 93 1.116 -10.905 -10.415 1.00 0.00 H new ATOM 0 HA GLU A 93 0.829 -10.734 -13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.831 -9.337 -13.510 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.535 -8.512 -12.667 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.601 -8.819 -10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.773 -9.936 -11.208 1.00 0.00 H new