USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 37 CYS SG : rot -171:sc= 0.00272 USER MOD Set 1.2: A 63 CYS SG : rot -105:sc= 0.191 USER MOD Set 1.3: A 65 SER OG : rot 140:sc= -0.0949 USER MOD Set 1.4: A 105 HIS : no HE2:sc= -2.64 X(o=-3,f=-2.6) USER MOD Set 1.5: A 106 CYS SG : rot 136:sc= -0.502 USER MOD Set 2.1: A 31 MET CE :methyl 148:sc= -0.228 (180deg=0) USER MOD Set 2.2: A 42 GLN : amide:sc= -0.0874 K(o=-0.32,f=-1.3) USER MOD Single : A 25 SER OG : rot -2:sc= 0.98 USER MOD Single : A 26 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.013) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -3.07! (180deg=-4!) USER MOD Single : A 50 ASN : amide:sc= -4.34! C(o=-4.3!,f=-3.9!) USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= -0.39 (180deg=-1.99!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -80:sc= 1.19 USER MOD Single : A 71 SER OG : rot 180:sc= -0.338 USER MOD Single : A 74 THR OG1 : rot 40:sc= -6.01! USER MOD Single : A 78 LYS NZ :NH3+ 137:sc= -0.132 (180deg=-1.06) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0942) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.71! C(o=-1.7!,f=-13!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.56) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 -9.354 11.330 -21.777 1.00 0.00 N ATOM 375 CA ASP A 24 -8.846 12.484 -20.981 1.00 0.00 C ATOM 376 C ASP A 24 -7.316 12.459 -20.966 1.00 0.00 C ATOM 377 O ASP A 24 -6.697 11.490 -21.357 1.00 0.00 O ATOM 378 CB ASP A 24 -9.373 12.389 -19.548 1.00 0.00 C ATOM 379 CG ASP A 24 -8.753 11.174 -18.854 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.578 11.238 -18.530 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.463 10.203 -18.657 1.00 0.00 O ATOM 0 HA ASP A 24 -9.190 13.415 -21.432 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.129 13.298 -18.999 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.460 12.302 -19.554 1.00 0.00 H new ATOM 386 N SER A 25 -6.702 13.518 -20.517 1.00 0.00 N ATOM 387 CA SER A 25 -5.213 13.555 -20.478 1.00 0.00 C ATOM 388 C SER A 25 -4.732 13.216 -19.066 1.00 0.00 C ATOM 389 O SER A 25 -3.569 13.355 -18.745 1.00 0.00 O ATOM 390 CB SER A 25 -4.728 14.954 -20.860 1.00 0.00 C ATOM 391 OG SER A 25 -3.349 15.077 -20.538 1.00 0.00 O ATOM 0 H SER A 25 -7.167 14.359 -20.175 1.00 0.00 H new ATOM 0 HA SER A 25 -4.812 12.827 -21.183 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.881 15.126 -21.925 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.306 15.710 -20.328 1.00 0.00 H new ATOM 0 HG SER A 25 -3.035 14.247 -20.123 1.00 0.00 H new ATOM 397 N ASN A 26 -5.620 12.771 -18.218 1.00 0.00 N ATOM 398 CA ASN A 26 -5.214 12.421 -16.828 1.00 0.00 C ATOM 399 C ASN A 26 -5.488 10.938 -16.575 1.00 0.00 C ATOM 400 O ASN A 26 -5.555 10.492 -15.447 1.00 0.00 O ATOM 401 CB ASN A 26 -6.015 13.264 -15.833 1.00 0.00 C ATOM 402 CG ASN A 26 -5.961 14.735 -16.248 1.00 0.00 C ATOM 403 OD1 ASN A 26 -5.158 15.491 -15.741 1.00 0.00 O ATOM 404 ND2 ASN A 26 -6.790 15.175 -17.155 1.00 0.00 N ATOM 0 H ASN A 26 -6.609 12.635 -18.429 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.150 12.622 -16.700 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.050 12.922 -15.801 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.609 13.144 -14.829 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.763 16.155 -17.438 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.465 14.539 -17.581 1.00 0.00 H new ATOM 411 N VAL A 27 -5.650 10.169 -17.617 1.00 0.00 N ATOM 412 CA VAL A 27 -5.922 8.714 -17.437 1.00 0.00 C ATOM 413 C VAL A 27 -4.908 7.902 -18.245 1.00 0.00 C ATOM 414 O VAL A 27 -4.792 8.053 -19.445 1.00 0.00 O ATOM 415 CB VAL A 27 -7.337 8.399 -17.927 1.00 0.00 C ATOM 416 CG1 VAL A 27 -7.419 6.932 -18.353 1.00 0.00 C ATOM 417 CG2 VAL A 27 -8.336 8.656 -16.798 1.00 0.00 C ATOM 0 H VAL A 27 -5.606 10.485 -18.586 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.835 8.454 -16.382 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.575 9.037 -18.778 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.428 6.710 -18.702 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.708 6.747 -19.158 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.180 6.292 -17.503 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.344 8.432 -17.146 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.096 8.018 -15.947 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.281 9.701 -16.495 1.00 0.00 H new ATOM 427 N GLY A 28 -4.173 7.041 -17.597 1.00 0.00 N ATOM 428 CA GLY A 28 -3.168 6.218 -18.329 1.00 0.00 C ATOM 429 C GLY A 28 -3.725 4.811 -18.551 1.00 0.00 C ATOM 430 O GLY A 28 -4.098 4.126 -17.619 1.00 0.00 O ATOM 0 H GLY A 28 -4.224 6.871 -16.593 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.930 6.682 -19.286 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.240 6.168 -17.760 1.00 0.00 H new ATOM 434 N THR A 29 -3.787 4.373 -19.779 1.00 0.00 N ATOM 435 CA THR A 29 -4.321 3.011 -20.058 1.00 0.00 C ATOM 436 C THR A 29 -3.177 2.094 -20.497 1.00 0.00 C ATOM 437 O THR A 29 -2.184 2.540 -21.039 1.00 0.00 O ATOM 438 CB THR A 29 -5.366 3.092 -21.172 1.00 0.00 C ATOM 439 OG1 THR A 29 -6.111 4.293 -21.032 1.00 0.00 O ATOM 440 CG2 THR A 29 -6.308 1.891 -21.081 1.00 0.00 C ATOM 0 H THR A 29 -3.491 4.900 -20.601 1.00 0.00 H new ATOM 0 HA THR A 29 -4.782 2.609 -19.156 1.00 0.00 H new ATOM 0 HB THR A 29 -4.866 3.084 -22.141 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.780 4.348 -21.746 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.052 1.951 -21.876 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.735 0.970 -21.189 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.810 1.895 -20.113 1.00 0.00 H new ATOM 448 N GLY A 30 -3.307 0.817 -20.265 1.00 0.00 N ATOM 449 CA GLY A 30 -2.226 -0.127 -20.669 1.00 0.00 C ATOM 450 C GLY A 30 -2.811 -1.530 -20.842 1.00 0.00 C ATOM 451 O GLY A 30 -3.201 -2.173 -19.888 1.00 0.00 O ATOM 0 H GLY A 30 -4.114 0.386 -19.814 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.768 0.205 -21.601 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.439 -0.140 -19.915 1.00 0.00 H new ATOM 455 N MET A 31 -2.873 -2.008 -22.054 1.00 0.00 N ATOM 456 CA MET A 31 -3.432 -3.369 -22.289 1.00 0.00 C ATOM 457 C MET A 31 -2.328 -4.290 -22.813 1.00 0.00 C ATOM 458 O MET A 31 -1.949 -4.227 -23.966 1.00 0.00 O ATOM 459 CB MET A 31 -4.559 -3.286 -23.322 1.00 0.00 C ATOM 460 CG MET A 31 -5.509 -4.470 -23.136 1.00 0.00 C ATOM 461 SD MET A 31 -6.911 -4.301 -24.268 1.00 0.00 S ATOM 462 CE MET A 31 -8.185 -4.931 -23.147 1.00 0.00 C ATOM 0 H MET A 31 -2.561 -1.516 -22.891 1.00 0.00 H new ATOM 0 HA MET A 31 -3.825 -3.767 -21.353 1.00 0.00 H new ATOM 0 HB2 MET A 31 -5.103 -2.348 -23.208 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.144 -3.294 -24.330 1.00 0.00 H new ATOM 0 HG2 MET A 31 -4.983 -5.405 -23.328 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.862 -4.508 -22.106 1.00 0.00 H new ATOM 0 HE1 MET A 31 -9.132 -4.432 -23.355 1.00 0.00 H new ATOM 0 HE2 MET A 31 -8.300 -6.005 -23.294 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.891 -4.736 -22.116 1.00 0.00 H new ATOM 472 N VAL A 32 -1.809 -5.147 -21.977 1.00 0.00 N ATOM 473 CA VAL A 32 -0.730 -6.069 -22.430 1.00 0.00 C ATOM 474 C VAL A 32 -1.218 -7.516 -22.321 1.00 0.00 C ATOM 475 O VAL A 32 -2.121 -7.822 -21.568 1.00 0.00 O ATOM 476 CB VAL A 32 0.506 -5.883 -21.549 1.00 0.00 C ATOM 477 CG1 VAL A 32 1.063 -4.470 -21.740 1.00 0.00 C ATOM 478 CG2 VAL A 32 0.121 -6.087 -20.082 1.00 0.00 C ATOM 0 H VAL A 32 -2.085 -5.248 -21.000 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.474 -5.846 -23.466 1.00 0.00 H new ATOM 0 HB VAL A 32 1.266 -6.612 -21.830 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.944 -4.338 -21.112 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.338 -4.325 -22.785 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.305 -3.739 -21.460 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.001 -5.955 -19.453 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.639 -5.358 -19.801 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.274 -7.094 -19.946 1.00 0.00 H new ATOM 488 N GLY A 33 -0.627 -8.408 -23.067 1.00 0.00 N ATOM 489 CA GLY A 33 -1.057 -9.834 -23.006 1.00 0.00 C ATOM 490 C GLY A 33 0.152 -10.741 -23.244 1.00 0.00 C ATOM 491 O GLY A 33 1.177 -10.310 -23.733 1.00 0.00 O ATOM 0 H GLY A 33 0.135 -8.212 -23.716 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.502 -10.050 -22.034 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.823 -10.027 -23.757 1.00 0.00 H new ATOM 495 N ALA A 34 0.040 -11.995 -22.900 1.00 0.00 N ATOM 496 CA ALA A 34 1.183 -12.928 -23.106 1.00 0.00 C ATOM 497 C ALA A 34 0.650 -14.294 -23.555 1.00 0.00 C ATOM 498 O ALA A 34 -0.334 -14.780 -23.035 1.00 0.00 O ATOM 499 CB ALA A 34 1.948 -13.089 -21.791 1.00 0.00 C ATOM 0 H ALA A 34 -0.793 -12.413 -22.486 1.00 0.00 H new ATOM 0 HA ALA A 34 1.849 -12.527 -23.870 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.785 -13.771 -21.938 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.324 -12.118 -21.467 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.281 -13.492 -21.029 1.00 0.00 H new ATOM 505 N PRO A 35 1.296 -14.913 -24.512 1.00 0.00 N ATOM 506 CA PRO A 35 0.877 -16.247 -25.029 1.00 0.00 C ATOM 507 C PRO A 35 1.244 -17.377 -24.064 1.00 0.00 C ATOM 508 O PRO A 35 0.517 -18.339 -23.914 1.00 0.00 O ATOM 509 CB PRO A 35 1.655 -16.388 -26.337 1.00 0.00 C ATOM 510 CG PRO A 35 2.876 -15.548 -26.160 1.00 0.00 C ATOM 511 CD PRO A 35 2.496 -14.413 -25.206 1.00 0.00 C ATOM 0 HA PRO A 35 -0.203 -16.314 -25.156 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.917 -17.428 -26.529 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.063 -16.047 -27.186 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.696 -16.139 -25.751 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.215 -15.152 -27.117 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.301 -14.196 -24.504 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.288 -13.490 -25.747 1.00 0.00 H new ATOM 519 N ALA A 36 2.367 -17.265 -23.411 1.00 0.00 N ATOM 520 CA ALA A 36 2.784 -18.329 -22.455 1.00 0.00 C ATOM 521 C ALA A 36 1.580 -18.766 -21.619 1.00 0.00 C ATOM 522 O ALA A 36 1.257 -19.935 -21.541 1.00 0.00 O ATOM 523 CB ALA A 36 3.875 -17.783 -21.532 1.00 0.00 C ATOM 0 H ALA A 36 3.015 -16.482 -23.498 1.00 0.00 H new ATOM 0 HA ALA A 36 3.170 -19.185 -23.009 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.182 -18.560 -20.832 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.733 -17.472 -22.127 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.489 -16.927 -20.978 1.00 0.00 H new ATOM 529 N CYS A 37 0.911 -17.836 -20.994 1.00 0.00 N ATOM 530 CA CYS A 37 -0.272 -18.199 -20.164 1.00 0.00 C ATOM 531 C CYS A 37 -1.548 -17.713 -20.854 1.00 0.00 C ATOM 532 O CYS A 37 -2.639 -17.862 -20.340 1.00 0.00 O ATOM 533 CB CYS A 37 -0.152 -17.539 -18.788 1.00 0.00 C ATOM 534 SG CYS A 37 -0.198 -15.739 -18.975 1.00 0.00 S ATOM 0 H CYS A 37 1.133 -16.841 -21.022 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.314 -19.282 -20.045 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.966 -17.869 -18.142 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.779 -17.842 -18.308 1.00 0.00 H new ATOM 0 HG CYS A 37 0.090 -15.177 -17.839 1.00 0.00 H new ATOM 539 N GLY A 38 -1.422 -17.134 -22.018 1.00 0.00 N ATOM 540 CA GLY A 38 -2.630 -16.640 -22.739 1.00 0.00 C ATOM 541 C GLY A 38 -3.494 -15.816 -21.784 1.00 0.00 C ATOM 542 O GLY A 38 -4.648 -16.119 -21.557 1.00 0.00 O ATOM 0 H GLY A 38 -0.536 -16.982 -22.500 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.333 -16.032 -23.594 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.202 -17.481 -23.130 1.00 0.00 H new ATOM 546 N ASP A 39 -2.943 -14.774 -21.222 1.00 0.00 N ATOM 547 CA ASP A 39 -3.733 -13.930 -20.280 1.00 0.00 C ATOM 548 C ASP A 39 -3.647 -12.464 -20.711 1.00 0.00 C ATOM 549 O ASP A 39 -2.635 -12.011 -21.210 1.00 0.00 O ATOM 550 CB ASP A 39 -3.166 -14.081 -18.866 1.00 0.00 C ATOM 551 CG ASP A 39 -4.077 -13.364 -17.870 1.00 0.00 C ATOM 552 OD1 ASP A 39 -4.907 -12.585 -18.310 1.00 0.00 O ATOM 553 OD2 ASP A 39 -3.931 -13.605 -16.683 1.00 0.00 O ATOM 0 H ASP A 39 -1.981 -14.471 -21.374 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.775 -14.250 -20.291 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.085 -15.137 -18.606 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.160 -13.664 -18.820 1.00 0.00 H new ATOM 558 N VAL A 40 -4.701 -11.718 -20.523 1.00 0.00 N ATOM 559 CA VAL A 40 -4.679 -10.281 -20.921 1.00 0.00 C ATOM 560 C VAL A 40 -4.812 -9.407 -19.672 1.00 0.00 C ATOM 561 O VAL A 40 -5.826 -9.417 -19.003 1.00 0.00 O ATOM 562 CB VAL A 40 -5.845 -9.996 -21.870 1.00 0.00 C ATOM 563 CG1 VAL A 40 -5.485 -10.472 -23.279 1.00 0.00 C ATOM 564 CG2 VAL A 40 -7.090 -10.739 -21.383 1.00 0.00 C ATOM 0 H VAL A 40 -5.576 -12.041 -20.111 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.739 -10.057 -21.425 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.045 -8.925 -21.889 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.316 -10.269 -23.955 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.597 -9.943 -23.626 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.285 -11.543 -23.261 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.922 -10.537 -22.058 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.890 -11.810 -21.364 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.347 -10.400 -20.379 1.00 0.00 H new ATOM 574 N MET A 41 -3.797 -8.653 -19.351 1.00 0.00 N ATOM 575 CA MET A 41 -3.868 -7.784 -18.144 1.00 0.00 C ATOM 576 C MET A 41 -4.219 -6.353 -18.554 1.00 0.00 C ATOM 577 O MET A 41 -3.556 -5.751 -19.376 1.00 0.00 O ATOM 578 CB MET A 41 -2.512 -7.788 -17.432 1.00 0.00 C ATOM 579 CG MET A 41 -2.640 -7.075 -16.085 1.00 0.00 C ATOM 580 SD MET A 41 -1.126 -6.142 -15.750 1.00 0.00 S ATOM 581 CE MET A 41 -1.680 -5.354 -14.217 1.00 0.00 C ATOM 0 H MET A 41 -2.922 -8.601 -19.873 1.00 0.00 H new ATOM 0 HA MET A 41 -4.637 -8.166 -17.473 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.171 -8.812 -17.282 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.764 -7.290 -18.049 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.499 -6.404 -16.097 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.815 -7.802 -15.292 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.885 -4.718 -13.827 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.564 -4.748 -14.418 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.925 -6.121 -13.482 1.00 0.00 H new ATOM 591 N GLN A 42 -5.256 -5.801 -17.983 1.00 0.00 N ATOM 592 CA GLN A 42 -5.649 -4.407 -18.332 1.00 0.00 C ATOM 593 C GLN A 42 -5.367 -3.495 -17.136 1.00 0.00 C ATOM 594 O GLN A 42 -5.911 -3.678 -16.065 1.00 0.00 O ATOM 595 CB GLN A 42 -7.140 -4.364 -18.667 1.00 0.00 C ATOM 596 CG GLN A 42 -7.676 -2.950 -18.429 1.00 0.00 C ATOM 597 CD GLN A 42 -8.936 -2.732 -19.269 1.00 0.00 C ATOM 598 OE1 GLN A 42 -8.992 -3.131 -20.416 1.00 0.00 O ATOM 599 NE2 GLN A 42 -9.955 -2.109 -18.745 1.00 0.00 N ATOM 0 H GLN A 42 -5.848 -6.257 -17.289 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.077 -4.069 -19.196 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.299 -4.655 -19.705 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.683 -5.079 -18.049 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.902 -2.809 -17.372 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.918 -2.213 -18.694 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.908 -1.774 -17.783 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.799 -1.957 -19.298 1.00 0.00 H new ATOM 608 N LEU A 43 -4.518 -2.518 -17.306 1.00 0.00 N ATOM 609 CA LEU A 43 -4.203 -1.605 -16.172 1.00 0.00 C ATOM 610 C LEU A 43 -4.707 -0.196 -16.485 1.00 0.00 C ATOM 611 O LEU A 43 -4.185 0.486 -17.345 1.00 0.00 O ATOM 612 CB LEU A 43 -2.689 -1.569 -15.956 1.00 0.00 C ATOM 613 CG LEU A 43 -2.369 -0.711 -14.730 1.00 0.00 C ATOM 614 CD1 LEU A 43 -2.413 -1.578 -13.472 1.00 0.00 C ATOM 615 CD2 LEU A 43 -0.970 -0.109 -14.884 1.00 0.00 C ATOM 0 H LEU A 43 -4.031 -2.313 -18.178 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.694 -1.969 -15.269 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.307 -2.580 -15.815 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.195 -1.161 -16.838 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.105 0.089 -14.644 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.185 -0.965 -12.600 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.408 -2.010 -13.362 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.678 -2.378 -13.556 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.739 0.503 -14.012 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.236 -0.911 -14.969 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.937 0.510 -15.781 1.00 0.00 H new ATOM 627 N GLN A 44 -5.715 0.250 -15.785 1.00 0.00 N ATOM 628 CA GLN A 44 -6.251 1.618 -16.031 1.00 0.00 C ATOM 629 C GLN A 44 -6.103 2.449 -14.755 1.00 0.00 C ATOM 630 O GLN A 44 -6.786 2.225 -13.775 1.00 0.00 O ATOM 631 CB GLN A 44 -7.730 1.527 -16.415 1.00 0.00 C ATOM 632 CG GLN A 44 -8.099 2.711 -17.311 1.00 0.00 C ATOM 633 CD GLN A 44 -9.509 2.512 -17.869 1.00 0.00 C ATOM 634 OE1 GLN A 44 -9.716 1.707 -18.756 1.00 0.00 O ATOM 635 NE2 GLN A 44 -10.495 3.216 -17.385 1.00 0.00 N ATOM 0 H GLN A 44 -6.191 -0.276 -15.052 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.698 2.090 -16.843 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.924 0.589 -16.935 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.350 1.529 -15.519 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.050 3.640 -16.742 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.383 2.799 -18.128 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.322 3.892 -16.641 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.439 3.091 -17.751 1.00 0.00 H new ATOM 644 N ILE A 45 -5.210 3.400 -14.755 1.00 0.00 N ATOM 645 CA ILE A 45 -5.013 4.236 -13.535 1.00 0.00 C ATOM 646 C ILE A 45 -5.571 5.641 -13.771 1.00 0.00 C ATOM 647 O ILE A 45 -5.469 6.188 -14.851 1.00 0.00 O ATOM 648 CB ILE A 45 -3.519 4.333 -13.225 1.00 0.00 C ATOM 649 CG1 ILE A 45 -2.755 4.642 -14.517 1.00 0.00 C ATOM 650 CG2 ILE A 45 -3.028 3.004 -12.647 1.00 0.00 C ATOM 651 CD1 ILE A 45 -1.384 5.235 -14.181 1.00 0.00 C ATOM 0 H ILE A 45 -4.609 3.635 -15.545 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.537 3.777 -12.697 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.347 5.127 -12.498 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.633 3.732 -15.105 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.324 5.342 -15.128 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.963 3.074 -12.426 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.574 2.782 -11.730 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.196 2.208 -13.372 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.846 5.453 -15.103 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.515 6.155 -13.612 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.814 4.520 -13.588 1.00 0.00 H new ATOM 663 N LYS A 46 -6.150 6.231 -12.762 1.00 0.00 N ATOM 664 CA LYS A 46 -6.706 7.606 -12.918 1.00 0.00 C ATOM 665 C LYS A 46 -5.834 8.588 -12.134 1.00 0.00 C ATOM 666 O LYS A 46 -5.321 8.268 -11.080 1.00 0.00 O ATOM 667 CB LYS A 46 -8.137 7.645 -12.374 1.00 0.00 C ATOM 668 CG LYS A 46 -8.597 9.099 -12.254 1.00 0.00 C ATOM 669 CD LYS A 46 -10.020 9.233 -12.802 1.00 0.00 C ATOM 670 CE LYS A 46 -10.523 10.659 -12.574 1.00 0.00 C ATOM 671 NZ LYS A 46 -9.375 11.607 -12.642 1.00 0.00 N ATOM 0 H LYS A 46 -6.263 5.821 -11.835 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.715 7.882 -13.972 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.805 7.095 -13.037 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.181 7.157 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.566 9.416 -11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.921 9.752 -12.806 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.035 8.997 -13.866 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.680 8.520 -12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.268 10.918 -13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.012 10.733 -11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.731 12.573 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.841 11.570 -11.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.751 11.340 -13.430 1.00 0.00 H new ATOM 685 N VAL A 47 -5.656 9.779 -12.637 1.00 0.00 N ATOM 686 CA VAL A 47 -4.810 10.770 -11.913 1.00 0.00 C ATOM 687 C VAL A 47 -5.508 12.130 -11.896 1.00 0.00 C ATOM 688 O VAL A 47 -6.241 12.476 -12.801 1.00 0.00 O ATOM 689 CB VAL A 47 -3.461 10.900 -12.622 1.00 0.00 C ATOM 690 CG1 VAL A 47 -2.451 11.558 -11.680 1.00 0.00 C ATOM 691 CG2 VAL A 47 -2.957 9.510 -13.016 1.00 0.00 C ATOM 0 H VAL A 47 -6.058 10.108 -13.515 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.655 10.432 -10.889 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.578 11.513 -13.516 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.489 11.651 -12.185 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.809 12.548 -11.397 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.334 10.945 -10.786 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.996 9.601 -13.521 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.840 8.898 -12.121 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.676 9.039 -13.686 1.00 0.00 H new ATOM 701 N ASP A 48 -5.285 12.909 -10.870 1.00 0.00 N ATOM 702 CA ASP A 48 -5.935 14.248 -10.795 1.00 0.00 C ATOM 703 C ASP A 48 -5.628 14.895 -9.443 1.00 0.00 C ATOM 704 O ASP A 48 -5.435 16.090 -9.349 1.00 0.00 O ATOM 705 CB ASP A 48 -7.447 14.093 -10.945 1.00 0.00 C ATOM 706 CG ASP A 48 -7.859 14.440 -12.377 1.00 0.00 C ATOM 707 OD1 ASP A 48 -7.787 15.607 -12.726 1.00 0.00 O ATOM 708 OD2 ASP A 48 -8.239 13.533 -13.099 1.00 0.00 O ATOM 0 H ASP A 48 -4.681 12.675 -10.082 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.550 14.878 -11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.743 13.071 -10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.961 14.746 -10.240 1.00 0.00 H new ATOM 713 N ASP A 49 -5.591 14.117 -8.395 1.00 0.00 N ATOM 714 CA ASP A 49 -5.302 14.692 -7.051 1.00 0.00 C ATOM 715 C ASP A 49 -3.902 15.309 -7.052 1.00 0.00 C ATOM 716 O ASP A 49 -3.108 15.079 -6.162 1.00 0.00 O ATOM 717 CB ASP A 49 -5.374 13.586 -5.995 1.00 0.00 C ATOM 718 CG ASP A 49 -6.759 13.591 -5.345 1.00 0.00 C ATOM 719 OD1 ASP A 49 -7.328 14.663 -5.218 1.00 0.00 O ATOM 720 OD2 ASP A 49 -7.226 12.523 -4.986 1.00 0.00 O ATOM 0 H ASP A 49 -5.748 13.109 -8.412 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.038 15.462 -6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.180 12.617 -6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.605 13.740 -5.238 1.00 0.00 H new ATOM 725 N ASN A 50 -3.595 16.092 -8.050 1.00 0.00 N ATOM 726 CA ASN A 50 -2.247 16.726 -8.118 1.00 0.00 C ATOM 727 C ASN A 50 -1.231 15.706 -8.634 1.00 0.00 C ATOM 728 O ASN A 50 -0.168 15.534 -8.072 1.00 0.00 O ATOM 729 CB ASN A 50 -1.831 17.198 -6.722 1.00 0.00 C ATOM 730 CG ASN A 50 -3.070 17.623 -5.933 1.00 0.00 C ATOM 731 OD1 ASN A 50 -3.859 18.419 -6.400 1.00 0.00 O ATOM 732 ND2 ASN A 50 -3.276 17.121 -4.745 1.00 0.00 N ATOM 0 H ASN A 50 -4.220 16.321 -8.823 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.282 17.581 -8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.310 16.397 -6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.135 18.033 -6.802 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.099 17.398 -4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.614 16.452 -4.352 1.00 0.00 H new ATOM 739 N GLY A 51 -1.551 15.026 -9.701 1.00 0.00 N ATOM 740 CA GLY A 51 -0.604 14.016 -10.252 1.00 0.00 C ATOM 741 C GLY A 51 -0.689 12.733 -9.425 1.00 0.00 C ATOM 742 O GLY A 51 -0.008 11.763 -9.691 1.00 0.00 O ATOM 0 H GLY A 51 -2.427 15.126 -10.215 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.845 13.806 -11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.413 14.407 -10.233 1.00 0.00 H new ATOM 746 N ILE A 52 -1.521 12.720 -8.419 1.00 0.00 N ATOM 747 CA ILE A 52 -1.650 11.500 -7.574 1.00 0.00 C ATOM 748 C ILE A 52 -2.723 10.584 -8.165 1.00 0.00 C ATOM 749 O ILE A 52 -3.576 11.013 -8.916 1.00 0.00 O ATOM 750 CB ILE A 52 -2.046 11.902 -6.153 1.00 0.00 C ATOM 751 CG1 ILE A 52 -0.904 12.692 -5.511 1.00 0.00 C ATOM 752 CG2 ILE A 52 -2.326 10.647 -5.324 1.00 0.00 C ATOM 753 CD1 ILE A 52 0.119 11.721 -4.918 1.00 0.00 C ATOM 0 H ILE A 52 -2.117 13.502 -8.146 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.696 10.973 -7.548 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.943 12.520 -6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.427 13.330 -6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.294 13.347 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.608 10.935 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.139 10.083 -5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.430 10.027 -5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.933 12.284 -4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.363 11.101 -4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.518 11.085 -5.708 1.00 0.00 H new ATOM 765 N ILE A 53 -2.686 9.323 -7.832 1.00 0.00 N ATOM 766 CA ILE A 53 -3.704 8.379 -8.374 1.00 0.00 C ATOM 767 C ILE A 53 -4.872 8.271 -7.392 1.00 0.00 C ATOM 768 O ILE A 53 -4.871 7.449 -6.498 1.00 0.00 O ATOM 769 CB ILE A 53 -3.066 7.002 -8.565 1.00 0.00 C ATOM 770 CG1 ILE A 53 -2.004 7.082 -9.665 1.00 0.00 C ATOM 771 CG2 ILE A 53 -4.141 5.988 -8.964 1.00 0.00 C ATOM 772 CD1 ILE A 53 -0.986 5.957 -9.476 1.00 0.00 C ATOM 0 H ILE A 53 -1.995 8.906 -7.208 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.070 8.746 -9.333 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.601 6.685 -7.632 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.474 7.000 -10.645 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.503 8.049 -9.631 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.684 5.008 -9.100 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.896 5.931 -8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.609 6.302 -9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.230 6.015 -10.259 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.507 6.059 -8.502 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.493 4.994 -9.532 1.00 0.00 H new ATOM 784 N GLU A 54 -5.869 9.099 -7.550 1.00 0.00 N ATOM 785 CA GLU A 54 -7.035 9.047 -6.624 1.00 0.00 C ATOM 786 C GLU A 54 -7.625 7.633 -6.615 1.00 0.00 C ATOM 787 O GLU A 54 -8.036 7.130 -5.589 1.00 0.00 O ATOM 788 CB GLU A 54 -8.100 10.042 -7.091 1.00 0.00 C ATOM 789 CG GLU A 54 -8.630 9.620 -8.462 1.00 0.00 C ATOM 790 CD GLU A 54 -9.471 10.751 -9.055 1.00 0.00 C ATOM 791 OE1 GLU A 54 -8.967 11.861 -9.130 1.00 0.00 O ATOM 792 OE2 GLU A 54 -10.604 10.491 -9.424 1.00 0.00 O ATOM 0 H GLU A 54 -5.926 9.809 -8.280 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.709 9.307 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.917 10.081 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.676 11.045 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.800 9.383 -9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.232 8.716 -8.368 1.00 0.00 H new ATOM 799 N ASP A 55 -7.670 6.989 -7.749 1.00 0.00 N ATOM 800 CA ASP A 55 -8.233 5.610 -7.801 1.00 0.00 C ATOM 801 C ASP A 55 -7.506 4.804 -8.879 1.00 0.00 C ATOM 802 O ASP A 55 -6.859 5.355 -9.747 1.00 0.00 O ATOM 803 CB ASP A 55 -9.724 5.677 -8.135 1.00 0.00 C ATOM 804 CG ASP A 55 -9.903 6.111 -9.591 1.00 0.00 C ATOM 805 OD1 ASP A 55 -9.308 5.483 -10.452 1.00 0.00 O ATOM 806 OD2 ASP A 55 -10.631 7.062 -9.821 1.00 0.00 O ATOM 0 H ASP A 55 -7.341 7.358 -8.641 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.100 5.128 -6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.187 4.703 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.225 6.381 -7.471 1.00 0.00 H new ATOM 811 N ALA A 56 -7.605 3.503 -8.831 1.00 0.00 N ATOM 812 CA ALA A 56 -6.916 2.669 -9.854 1.00 0.00 C ATOM 813 C ALA A 56 -7.784 1.457 -10.202 1.00 0.00 C ATOM 814 O ALA A 56 -8.095 0.640 -9.358 1.00 0.00 O ATOM 815 CB ALA A 56 -5.573 2.191 -9.300 1.00 0.00 C ATOM 0 H ALA A 56 -8.132 2.984 -8.129 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.750 3.264 -10.752 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.067 1.580 -10.048 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.952 3.053 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.741 1.598 -8.401 1.00 0.00 H new ATOM 821 N LYS A 57 -8.174 1.331 -11.442 1.00 0.00 N ATOM 822 CA LYS A 57 -9.017 0.170 -11.846 1.00 0.00 C ATOM 823 C LYS A 57 -8.141 -0.861 -12.559 1.00 0.00 C ATOM 824 O LYS A 57 -7.248 -0.518 -13.308 1.00 0.00 O ATOM 825 CB LYS A 57 -10.122 0.645 -12.791 1.00 0.00 C ATOM 826 CG LYS A 57 -11.356 -0.243 -12.622 1.00 0.00 C ATOM 827 CD LYS A 57 -12.138 -0.287 -13.936 1.00 0.00 C ATOM 828 CE LYS A 57 -13.638 -0.223 -13.642 1.00 0.00 C ATOM 829 NZ LYS A 57 -13.928 0.972 -12.799 1.00 0.00 N ATOM 0 H LYS A 57 -7.945 1.982 -12.193 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.469 -0.281 -10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.376 1.683 -12.577 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.773 0.608 -13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.055 -1.250 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.989 0.144 -11.823 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.846 0.548 -14.573 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.902 -1.201 -14.481 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.200 -0.169 -14.574 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.958 -1.130 -13.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.812 1.417 -13.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.027 0.680 -11.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.147 1.654 -12.883 1.00 0.00 H new ATOM 843 N PHE A 58 -8.384 -2.122 -12.332 1.00 0.00 N ATOM 844 CA PHE A 58 -7.557 -3.167 -13.000 1.00 0.00 C ATOM 845 C PHE A 58 -8.456 -4.305 -13.485 1.00 0.00 C ATOM 846 O PHE A 58 -9.592 -4.431 -13.071 1.00 0.00 O ATOM 847 CB PHE A 58 -6.530 -3.715 -12.009 1.00 0.00 C ATOM 848 CG PHE A 58 -7.177 -4.772 -11.147 1.00 0.00 C ATOM 849 CD1 PHE A 58 -7.258 -6.093 -11.603 1.00 0.00 C ATOM 850 CD2 PHE A 58 -7.695 -4.432 -9.892 1.00 0.00 C ATOM 851 CE1 PHE A 58 -7.859 -7.074 -10.806 1.00 0.00 C ATOM 852 CE2 PHE A 58 -8.296 -5.413 -9.093 1.00 0.00 C ATOM 853 CZ PHE A 58 -8.377 -6.733 -9.550 1.00 0.00 C ATOM 0 H PHE A 58 -9.116 -2.474 -11.715 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.041 -2.727 -13.854 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.681 -4.138 -12.546 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.144 -2.908 -11.386 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.856 -6.355 -12.571 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.631 -3.413 -9.540 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.923 -8.093 -11.159 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.697 -5.151 -8.125 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.839 -7.490 -8.934 1.00 0.00 H new ATOM 863 N LYS A 59 -7.954 -5.132 -14.359 1.00 0.00 N ATOM 864 CA LYS A 59 -8.772 -6.266 -14.878 1.00 0.00 C ATOM 865 C LYS A 59 -7.841 -7.342 -15.441 1.00 0.00 C ATOM 866 O LYS A 59 -7.194 -7.150 -16.451 1.00 0.00 O ATOM 867 CB LYS A 59 -9.696 -5.762 -15.992 1.00 0.00 C ATOM 868 CG LYS A 59 -11.113 -5.557 -15.446 1.00 0.00 C ATOM 869 CD LYS A 59 -11.952 -6.807 -15.713 1.00 0.00 C ATOM 870 CE LYS A 59 -13.310 -6.665 -15.024 1.00 0.00 C ATOM 871 NZ LYS A 59 -14.219 -5.850 -15.879 1.00 0.00 N ATOM 0 H LYS A 59 -7.009 -5.072 -14.738 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.372 -6.684 -14.069 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.314 -4.824 -16.396 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.714 -6.479 -16.813 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.075 -5.354 -14.376 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.574 -4.690 -15.919 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.089 -6.944 -16.786 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.434 -7.692 -15.342 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.745 -7.649 -14.847 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.188 -6.191 -14.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.142 -5.753 -15.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.805 -4.907 -16.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.345 -6.320 -16.798 1.00 0.00 H new ATOM 885 N THR A 60 -7.763 -8.472 -14.795 1.00 0.00 N ATOM 886 CA THR A 60 -6.871 -9.556 -15.295 1.00 0.00 C ATOM 887 C THR A 60 -7.357 -10.907 -14.764 1.00 0.00 C ATOM 888 O THR A 60 -7.638 -11.058 -13.591 1.00 0.00 O ATOM 889 CB THR A 60 -5.441 -9.303 -14.811 1.00 0.00 C ATOM 890 OG1 THR A 60 -4.607 -10.374 -15.226 1.00 0.00 O ATOM 891 CG2 THR A 60 -5.428 -9.202 -13.286 1.00 0.00 C ATOM 0 H THR A 60 -8.278 -8.692 -13.943 1.00 0.00 H new ATOM 0 HA THR A 60 -6.891 -9.567 -16.385 1.00 0.00 H new ATOM 0 HB THR A 60 -5.071 -8.370 -15.236 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.691 -10.213 -14.919 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.410 -9.022 -12.942 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.069 -8.379 -12.970 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.797 -10.134 -12.857 1.00 0.00 H new ATOM 899 N TYR A 61 -7.458 -11.889 -15.617 1.00 0.00 N ATOM 900 CA TYR A 61 -7.925 -13.228 -15.157 1.00 0.00 C ATOM 901 C TYR A 61 -7.531 -14.290 -16.189 1.00 0.00 C ATOM 902 O TYR A 61 -7.361 -14.001 -17.356 1.00 0.00 O ATOM 903 CB TYR A 61 -9.447 -13.213 -15.003 1.00 0.00 C ATOM 904 CG TYR A 61 -9.948 -14.628 -14.846 1.00 0.00 C ATOM 905 CD1 TYR A 61 -9.964 -15.228 -13.582 1.00 0.00 C ATOM 906 CD2 TYR A 61 -10.395 -15.340 -15.966 1.00 0.00 C ATOM 907 CE1 TYR A 61 -10.428 -16.542 -13.437 1.00 0.00 C ATOM 908 CE2 TYR A 61 -10.858 -16.654 -15.820 1.00 0.00 C ATOM 909 CZ TYR A 61 -10.875 -17.255 -14.557 1.00 0.00 C ATOM 910 OH TYR A 61 -11.329 -18.549 -14.413 1.00 0.00 O ATOM 0 H TYR A 61 -7.238 -11.823 -16.611 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.463 -13.462 -14.198 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.730 -12.617 -14.136 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.907 -12.747 -15.874 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.619 -14.679 -12.719 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.383 -14.876 -16.941 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.441 -17.005 -12.462 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -11.202 -17.204 -16.684 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.603 -18.899 -15.287 1.00 0.00 H new ATOM 920 N GLY A 62 -7.391 -15.518 -15.766 1.00 0.00 N ATOM 921 CA GLY A 62 -7.013 -16.595 -16.724 1.00 0.00 C ATOM 922 C GLY A 62 -5.761 -17.317 -16.223 1.00 0.00 C ATOM 923 O GLY A 62 -5.672 -18.529 -16.270 1.00 0.00 O ATOM 0 H GLY A 62 -7.522 -15.821 -14.801 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.834 -17.304 -16.832 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.828 -16.169 -17.710 1.00 0.00 H new ATOM 927 N CYS A 63 -4.789 -16.588 -15.747 1.00 0.00 N ATOM 928 CA CYS A 63 -3.545 -17.240 -15.251 1.00 0.00 C ATOM 929 C CYS A 63 -3.700 -17.583 -13.768 1.00 0.00 C ATOM 930 O CYS A 63 -4.604 -17.118 -13.102 1.00 0.00 O ATOM 931 CB CYS A 63 -2.360 -16.289 -15.432 1.00 0.00 C ATOM 932 SG CYS A 63 -0.825 -17.245 -15.488 1.00 0.00 S ATOM 0 H CYS A 63 -4.803 -15.570 -15.680 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.368 -18.154 -15.818 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.477 -15.715 -16.351 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.326 -15.573 -14.611 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.190 -17.113 -14.361 1.00 0.00 H new ATOM 937 N GLY A 64 -2.823 -18.395 -13.245 1.00 0.00 N ATOM 938 CA GLY A 64 -2.916 -18.771 -11.805 1.00 0.00 C ATOM 939 C GLY A 64 -1.841 -18.025 -11.012 1.00 0.00 C ATOM 940 O GLY A 64 -1.180 -18.587 -10.162 1.00 0.00 O ATOM 0 H GLY A 64 -2.045 -18.815 -13.753 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.905 -18.526 -11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.787 -19.847 -11.690 1.00 0.00 H new ATOM 944 N SER A 65 -1.662 -16.761 -11.285 1.00 0.00 N ATOM 945 CA SER A 65 -0.632 -15.977 -10.546 1.00 0.00 C ATOM 946 C SER A 65 -0.961 -14.487 -10.648 1.00 0.00 C ATOM 947 O SER A 65 -1.284 -13.845 -9.668 1.00 0.00 O ATOM 948 CB SER A 65 0.745 -16.238 -11.157 1.00 0.00 C ATOM 949 OG SER A 65 0.585 -16.727 -12.482 1.00 0.00 O ATOM 0 H SER A 65 -2.184 -16.238 -11.988 1.00 0.00 H new ATOM 0 HA SER A 65 -0.626 -16.279 -9.499 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.332 -15.320 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.292 -16.962 -10.553 1.00 0.00 H new ATOM 0 HG SER A 65 1.264 -16.325 -13.063 1.00 0.00 H new ATOM 955 N ALA A 66 -0.884 -13.932 -11.827 1.00 0.00 N ATOM 956 CA ALA A 66 -1.195 -12.484 -11.989 1.00 0.00 C ATOM 957 C ALA A 66 -2.339 -12.104 -11.048 1.00 0.00 C ATOM 958 O ALA A 66 -2.377 -11.018 -10.506 1.00 0.00 O ATOM 959 CB ALA A 66 -1.613 -12.209 -13.435 1.00 0.00 C ATOM 0 H ALA A 66 -0.619 -14.418 -12.684 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.311 -11.893 -11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.840 -11.150 -13.553 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.800 -12.482 -14.107 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.497 -12.799 -13.677 1.00 0.00 H new ATOM 965 N ILE A 67 -3.273 -12.994 -10.848 1.00 0.00 N ATOM 966 CA ILE A 67 -4.411 -12.685 -9.942 1.00 0.00 C ATOM 967 C ILE A 67 -3.869 -12.261 -8.575 1.00 0.00 C ATOM 968 O ILE A 67 -4.584 -11.733 -7.748 1.00 0.00 O ATOM 969 CB ILE A 67 -5.291 -13.926 -9.781 1.00 0.00 C ATOM 970 CG1 ILE A 67 -5.747 -14.406 -11.162 1.00 0.00 C ATOM 971 CG2 ILE A 67 -6.516 -13.581 -8.931 1.00 0.00 C ATOM 972 CD1 ILE A 67 -6.655 -15.627 -11.005 1.00 0.00 C ATOM 0 H ILE A 67 -3.295 -13.921 -11.274 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.005 -11.876 -10.367 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.721 -14.714 -9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.280 -13.608 -11.678 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.882 -14.660 -11.774 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.141 -14.467 -8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.192 -13.237 -7.949 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.088 -12.793 -9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.979 -15.968 -11.988 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.107 -16.426 -10.506 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.527 -15.358 -10.409 1.00 0.00 H new ATOM 984 N ALA A 68 -2.605 -12.486 -8.336 1.00 0.00 N ATOM 985 CA ALA A 68 -2.013 -12.091 -7.026 1.00 0.00 C ATOM 986 C ALA A 68 -1.196 -10.812 -7.210 1.00 0.00 C ATOM 987 O ALA A 68 -1.392 -9.833 -6.518 1.00 0.00 O ATOM 988 CB ALA A 68 -1.103 -13.213 -6.519 1.00 0.00 C ATOM 0 H ALA A 68 -1.958 -12.926 -8.990 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.808 -11.916 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.670 -12.925 -5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.686 -14.126 -6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.305 -13.388 -7.240 1.00 0.00 H new ATOM 994 N SER A 69 -0.283 -10.810 -8.144 1.00 0.00 N ATOM 995 CA SER A 69 0.543 -9.594 -8.376 1.00 0.00 C ATOM 996 C SER A 69 -0.378 -8.402 -8.638 1.00 0.00 C ATOM 997 O SER A 69 -0.119 -7.296 -8.206 1.00 0.00 O ATOM 998 CB SER A 69 1.448 -9.816 -9.588 1.00 0.00 C ATOM 999 OG SER A 69 2.015 -8.574 -9.986 1.00 0.00 O ATOM 0 H SER A 69 -0.075 -11.599 -8.756 1.00 0.00 H new ATOM 0 HA SER A 69 1.157 -9.395 -7.498 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.237 -10.527 -9.342 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.876 -10.247 -10.409 1.00 0.00 H new ATOM 0 HG SER A 69 2.597 -8.714 -10.762 1.00 0.00 H new ATOM 1005 N SER A 70 -1.455 -8.619 -9.341 1.00 0.00 N ATOM 1006 CA SER A 70 -2.395 -7.499 -9.627 1.00 0.00 C ATOM 1007 C SER A 70 -2.915 -6.929 -8.307 1.00 0.00 C ATOM 1008 O SER A 70 -3.056 -5.734 -8.151 1.00 0.00 O ATOM 1009 CB SER A 70 -3.568 -8.018 -10.458 1.00 0.00 C ATOM 1010 OG SER A 70 -4.187 -9.098 -9.773 1.00 0.00 O ATOM 0 H SER A 70 -1.725 -9.523 -9.730 1.00 0.00 H new ATOM 0 HA SER A 70 -1.877 -6.718 -10.183 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.290 -7.219 -10.628 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.218 -8.346 -11.437 1.00 0.00 H new ATOM 0 HG SER A 70 -3.669 -9.917 -9.917 1.00 0.00 H new ATOM 1016 N SER A 71 -3.199 -7.776 -7.355 1.00 0.00 N ATOM 1017 CA SER A 71 -3.707 -7.282 -6.044 1.00 0.00 C ATOM 1018 C SER A 71 -2.645 -6.399 -5.386 1.00 0.00 C ATOM 1019 O SER A 71 -2.916 -5.289 -4.972 1.00 0.00 O ATOM 1020 CB SER A 71 -4.013 -8.474 -5.135 1.00 0.00 C ATOM 1021 OG SER A 71 -3.018 -8.558 -4.124 1.00 0.00 O ATOM 0 H SER A 71 -3.101 -8.789 -7.429 1.00 0.00 H new ATOM 0 HA SER A 71 -4.616 -6.701 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.998 -8.359 -4.684 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.035 -9.395 -5.718 1.00 0.00 H new ATOM 0 HG SER A 71 -3.211 -9.319 -3.538 1.00 0.00 H new ATOM 1027 N LEU A 72 -1.438 -6.885 -5.287 1.00 0.00 N ATOM 1028 CA LEU A 72 -0.356 -6.078 -4.655 1.00 0.00 C ATOM 1029 C LEU A 72 -0.237 -4.731 -5.373 1.00 0.00 C ATOM 1030 O LEU A 72 -0.563 -3.697 -4.827 1.00 0.00 O ATOM 1031 CB LEU A 72 0.971 -6.836 -4.764 1.00 0.00 C ATOM 1032 CG LEU A 72 2.142 -5.872 -4.552 1.00 0.00 C ATOM 1033 CD1 LEU A 72 1.979 -5.156 -3.210 1.00 0.00 C ATOM 1034 CD2 LEU A 72 3.454 -6.660 -4.552 1.00 0.00 C ATOM 0 H LEU A 72 -1.154 -7.807 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.593 -5.908 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.006 -7.633 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.050 -7.308 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 72 2.157 -5.136 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.813 -4.470 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.044 -4.596 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.964 -5.891 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.289 -5.976 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.437 -7.395 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.571 -7.171 -5.508 1.00 0.00 H new ATOM 1046 N ILE A 73 0.234 -4.736 -6.590 1.00 0.00 N ATOM 1047 CA ILE A 73 0.381 -3.456 -7.341 1.00 0.00 C ATOM 1048 C ILE A 73 -0.905 -2.633 -7.218 1.00 0.00 C ATOM 1049 O ILE A 73 -0.873 -1.465 -6.884 1.00 0.00 O ATOM 1050 CB ILE A 73 0.654 -3.759 -8.816 1.00 0.00 C ATOM 1051 CG1 ILE A 73 1.119 -2.483 -9.522 1.00 0.00 C ATOM 1052 CG2 ILE A 73 -0.625 -4.270 -9.481 1.00 0.00 C ATOM 1053 CD1 ILE A 73 1.871 -2.851 -10.803 1.00 0.00 C ATOM 0 H ILE A 73 0.524 -5.572 -7.098 1.00 0.00 H new ATOM 0 HA ILE A 73 1.213 -2.888 -6.925 1.00 0.00 H new ATOM 0 HB ILE A 73 1.430 -4.521 -8.890 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.261 -1.854 -9.760 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.766 -1.905 -8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.428 -4.485 -10.531 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.957 -5.180 -8.980 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.403 -3.510 -9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.202 -1.942 -11.305 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.738 -3.463 -10.553 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.210 -3.411 -11.465 1.00 0.00 H new ATOM 1065 N THR A 74 -2.035 -3.229 -7.485 1.00 0.00 N ATOM 1066 CA THR A 74 -3.315 -2.472 -7.382 1.00 0.00 C ATOM 1067 C THR A 74 -3.346 -1.703 -6.061 1.00 0.00 C ATOM 1068 O THR A 74 -3.816 -0.584 -5.994 1.00 0.00 O ATOM 1069 CB THR A 74 -4.494 -3.447 -7.438 1.00 0.00 C ATOM 1070 OG1 THR A 74 -4.200 -4.587 -6.645 1.00 0.00 O ATOM 1071 CG2 THR A 74 -4.736 -3.874 -8.886 1.00 0.00 C ATOM 0 H THR A 74 -2.127 -4.204 -7.769 1.00 0.00 H new ATOM 0 HA THR A 74 -3.390 -1.770 -8.212 1.00 0.00 H new ATOM 0 HB THR A 74 -5.390 -2.960 -7.053 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.750 -4.305 -5.821 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.575 -4.568 -8.925 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.962 -2.996 -9.491 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.843 -4.363 -9.275 1.00 0.00 H new ATOM 1079 N GLU A 75 -2.841 -2.289 -5.009 1.00 0.00 N ATOM 1080 CA GLU A 75 -2.837 -1.583 -3.698 1.00 0.00 C ATOM 1081 C GLU A 75 -1.557 -0.755 -3.585 1.00 0.00 C ATOM 1082 O GLU A 75 -1.392 0.036 -2.676 1.00 0.00 O ATOM 1083 CB GLU A 75 -2.889 -2.608 -2.562 1.00 0.00 C ATOM 1084 CG GLU A 75 -4.208 -3.382 -2.632 1.00 0.00 C ATOM 1085 CD GLU A 75 -5.284 -2.631 -1.846 1.00 0.00 C ATOM 1086 OE1 GLU A 75 -5.045 -1.488 -1.494 1.00 0.00 O ATOM 1087 OE2 GLU A 75 -6.330 -3.213 -1.609 1.00 0.00 O ATOM 0 H GLU A 75 -2.432 -3.224 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.706 -0.929 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.047 -3.296 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.801 -2.104 -1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.518 -3.500 -3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.076 -4.384 -2.222 1.00 0.00 H new ATOM 1094 N TRP A 76 -0.650 -0.929 -4.508 1.00 0.00 N ATOM 1095 CA TRP A 76 0.621 -0.153 -4.469 1.00 0.00 C ATOM 1096 C TRP A 76 0.451 1.122 -5.297 1.00 0.00 C ATOM 1097 O TRP A 76 1.268 2.020 -5.252 1.00 0.00 O ATOM 1098 CB TRP A 76 1.750 -0.997 -5.063 1.00 0.00 C ATOM 1099 CG TRP A 76 3.049 -0.646 -4.411 1.00 0.00 C ATOM 1100 CD1 TRP A 76 3.318 0.519 -3.773 1.00 0.00 C ATOM 1101 CD2 TRP A 76 4.265 -1.447 -4.325 1.00 0.00 C ATOM 1102 NE1 TRP A 76 4.618 0.481 -3.302 1.00 0.00 N ATOM 1103 CE2 TRP A 76 5.242 -0.710 -3.616 1.00 0.00 C ATOM 1104 CE3 TRP A 76 4.607 -2.729 -4.788 1.00 0.00 C ATOM 1105 CZ2 TRP A 76 6.515 -1.227 -3.376 1.00 0.00 C ATOM 1106 CZ3 TRP A 76 5.888 -3.253 -4.548 1.00 0.00 C ATOM 1107 CH2 TRP A 76 6.840 -2.503 -3.844 1.00 0.00 C ATOM 0 H TRP A 76 -0.736 -1.578 -5.290 1.00 0.00 H new ATOM 0 HA TRP A 76 0.865 0.105 -3.438 1.00 0.00 H new ATOM 0 HB2 TRP A 76 1.537 -2.056 -4.920 1.00 0.00 H new ATOM 0 HB3 TRP A 76 1.815 -0.827 -6.138 1.00 0.00 H new ATOM 0 HD1 TRP A 76 2.630 1.343 -3.652 1.00 0.00 H new ATOM 0 HE1 TRP A 76 5.062 1.240 -2.786 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.881 -3.315 -5.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 7.245 -0.645 -2.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 6.141 -4.239 -4.908 1.00 0.00 H new ATOM 0 HH2 TRP A 76 7.824 -2.911 -3.663 1.00 0.00 H new ATOM 1118 N VAL A 77 -0.608 1.204 -6.055 1.00 0.00 N ATOM 1119 CA VAL A 77 -0.841 2.415 -6.889 1.00 0.00 C ATOM 1120 C VAL A 77 -2.128 3.104 -6.431 1.00 0.00 C ATOM 1121 O VAL A 77 -2.568 4.073 -7.015 1.00 0.00 O ATOM 1122 CB VAL A 77 -0.978 2.004 -8.356 1.00 0.00 C ATOM 1123 CG1 VAL A 77 0.242 1.183 -8.774 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -2.244 1.161 -8.531 1.00 0.00 C ATOM 0 H VAL A 77 -1.324 0.481 -6.132 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.001 3.101 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.044 2.896 -8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.143 0.891 -9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.144 1.782 -8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.310 0.290 -8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.344 0.867 -9.576 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.176 0.269 -7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.115 1.746 -8.234 1.00 0.00 H new ATOM 1134 N LYS A 78 -2.735 2.606 -5.389 1.00 0.00 N ATOM 1135 CA LYS A 78 -3.994 3.226 -4.891 1.00 0.00 C ATOM 1136 C LYS A 78 -3.659 4.472 -4.069 1.00 0.00 C ATOM 1137 O LYS A 78 -3.218 4.383 -2.941 1.00 0.00 O ATOM 1138 CB LYS A 78 -4.743 2.222 -4.012 1.00 0.00 C ATOM 1139 CG LYS A 78 -6.251 2.385 -4.215 1.00 0.00 C ATOM 1140 CD LYS A 78 -6.738 1.380 -5.260 1.00 0.00 C ATOM 1141 CE LYS A 78 -8.267 1.333 -5.253 1.00 0.00 C ATOM 1142 NZ LYS A 78 -8.806 2.686 -5.566 1.00 0.00 N ATOM 0 H LYS A 78 -2.413 1.795 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.620 3.507 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.440 1.206 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.488 2.380 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.775 2.227 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.477 3.401 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.377 1.664 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.333 0.391 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.623 0.609 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.627 1.003 -4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.598 2.598 -6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.139 3.138 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.057 3.268 -5.992 1.00 0.00 H new ATOM 1156 N GLY A 79 -3.869 5.634 -4.624 1.00 0.00 N ATOM 1157 CA GLY A 79 -3.565 6.885 -3.874 1.00 0.00 C ATOM 1158 C GLY A 79 -2.052 7.026 -3.702 1.00 0.00 C ATOM 1159 O GLY A 79 -1.574 7.507 -2.693 1.00 0.00 O ATOM 0 H GLY A 79 -4.238 5.771 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.962 7.747 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.051 6.864 -2.899 1.00 0.00 H new ATOM 1163 N LYS A 80 -1.293 6.610 -4.677 1.00 0.00 N ATOM 1164 CA LYS A 80 0.190 6.722 -4.566 1.00 0.00 C ATOM 1165 C LYS A 80 0.712 7.663 -5.652 1.00 0.00 C ATOM 1166 O LYS A 80 -0.048 8.272 -6.379 1.00 0.00 O ATOM 1167 CB LYS A 80 0.819 5.338 -4.739 1.00 0.00 C ATOM 1168 CG LYS A 80 0.355 4.423 -3.603 1.00 0.00 C ATOM 1169 CD LYS A 80 1.454 4.322 -2.545 1.00 0.00 C ATOM 1170 CE LYS A 80 0.874 3.728 -1.259 1.00 0.00 C ATOM 1171 NZ LYS A 80 0.445 2.322 -1.512 1.00 0.00 N ATOM 0 H LYS A 80 -1.634 6.198 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 80 0.454 7.119 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.533 4.914 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.906 5.417 -4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.559 4.815 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.120 3.433 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.269 3.698 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.873 5.308 -2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.620 3.755 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.026 4.323 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.210 1.863 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.392 2.320 -2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.217 1.801 -1.974 1.00 0.00 H new ATOM 1185 N SER A 81 2.005 7.792 -5.767 1.00 0.00 N ATOM 1186 CA SER A 81 2.575 8.698 -6.804 1.00 0.00 C ATOM 1187 C SER A 81 3.167 7.870 -7.945 1.00 0.00 C ATOM 1188 O SER A 81 3.653 6.773 -7.745 1.00 0.00 O ATOM 1189 CB SER A 81 3.673 9.559 -6.181 1.00 0.00 C ATOM 1190 OG SER A 81 4.078 10.553 -7.115 1.00 0.00 O ATOM 0 H SER A 81 2.692 7.309 -5.188 1.00 0.00 H new ATOM 0 HA SER A 81 1.784 9.339 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.308 10.029 -5.268 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.524 8.938 -5.902 1.00 0.00 H new ATOM 0 HG SER A 81 4.781 11.108 -6.718 1.00 0.00 H new ATOM 1196 N LEU A 82 3.134 8.386 -9.144 1.00 0.00 N ATOM 1197 CA LEU A 82 3.699 7.630 -10.296 1.00 0.00 C ATOM 1198 C LEU A 82 5.219 7.554 -10.152 1.00 0.00 C ATOM 1199 O LEU A 82 5.865 6.705 -10.733 1.00 0.00 O ATOM 1200 CB LEU A 82 3.345 8.346 -11.602 1.00 0.00 C ATOM 1201 CG LEU A 82 1.916 7.985 -12.010 1.00 0.00 C ATOM 1202 CD1 LEU A 82 1.456 8.912 -13.136 1.00 0.00 C ATOM 1203 CD2 LEU A 82 1.880 6.534 -12.498 1.00 0.00 C ATOM 0 H LEU A 82 2.740 9.298 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 82 3.282 6.623 -10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.437 9.425 -11.474 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.043 8.058 -12.388 1.00 0.00 H new ATOM 0 HG LEU A 82 1.252 8.100 -11.153 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.438 8.654 -13.426 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.484 9.946 -12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.118 8.798 -13.994 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.863 6.273 -12.790 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.543 6.422 -13.356 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.208 5.872 -11.696 1.00 0.00 H new ATOM 1215 N GLU A 83 5.795 8.436 -9.382 1.00 0.00 N ATOM 1216 CA GLU A 83 7.273 8.414 -9.200 1.00 0.00 C ATOM 1217 C GLU A 83 7.649 7.286 -8.238 1.00 0.00 C ATOM 1218 O GLU A 83 8.809 6.968 -8.061 1.00 0.00 O ATOM 1219 CB GLU A 83 7.739 9.754 -8.624 1.00 0.00 C ATOM 1220 CG GLU A 83 9.021 10.197 -9.334 1.00 0.00 C ATOM 1221 CD GLU A 83 9.739 11.249 -8.486 1.00 0.00 C ATOM 1222 OE1 GLU A 83 9.068 11.930 -7.728 1.00 0.00 O ATOM 1223 OE2 GLU A 83 10.949 11.356 -8.609 1.00 0.00 O ATOM 0 H GLU A 83 5.306 9.171 -8.871 1.00 0.00 H new ATOM 0 HA GLU A 83 7.755 8.248 -10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.961 10.507 -8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.918 9.659 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.674 9.339 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.782 10.607 -10.315 1.00 0.00 H new ATOM 1230 N GLU A 84 6.677 6.679 -7.615 1.00 0.00 N ATOM 1231 CA GLU A 84 6.977 5.571 -6.665 1.00 0.00 C ATOM 1232 C GLU A 84 6.687 4.229 -7.340 1.00 0.00 C ATOM 1233 O GLU A 84 7.455 3.293 -7.237 1.00 0.00 O ATOM 1234 CB GLU A 84 6.098 5.713 -5.420 1.00 0.00 C ATOM 1235 CG GLU A 84 6.850 6.508 -4.351 1.00 0.00 C ATOM 1236 CD GLU A 84 6.101 6.407 -3.022 1.00 0.00 C ATOM 1237 OE1 GLU A 84 5.145 5.652 -2.959 1.00 0.00 O ATOM 1238 OE2 GLU A 84 6.494 7.088 -2.089 1.00 0.00 O ATOM 0 H GLU A 84 5.688 6.902 -7.723 1.00 0.00 H new ATOM 0 HA GLU A 84 8.027 5.615 -6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.166 6.218 -5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.832 4.728 -5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.863 6.122 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.938 7.552 -4.653 1.00 0.00 H new ATOM 1245 N ALA A 85 5.584 4.129 -8.031 1.00 0.00 N ATOM 1246 CA ALA A 85 5.246 2.847 -8.712 1.00 0.00 C ATOM 1247 C ALA A 85 5.969 2.777 -10.058 1.00 0.00 C ATOM 1248 O ALA A 85 6.034 1.738 -10.685 1.00 0.00 O ATOM 1249 CB ALA A 85 3.734 2.775 -8.939 1.00 0.00 C ATOM 0 H ALA A 85 4.903 4.879 -8.153 1.00 0.00 H new ATOM 0 HA ALA A 85 5.561 2.010 -8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.485 1.838 -9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.219 2.824 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.419 3.612 -9.562 1.00 0.00 H new ATOM 1255 N GLY A 86 6.516 3.874 -10.507 1.00 0.00 N ATOM 1256 CA GLY A 86 7.235 3.868 -11.811 1.00 0.00 C ATOM 1257 C GLY A 86 8.704 3.508 -11.582 1.00 0.00 C ATOM 1258 O GLY A 86 9.600 4.178 -12.055 1.00 0.00 O ATOM 0 H GLY A 86 6.496 4.774 -10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.775 3.149 -12.489 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.159 4.847 -12.285 1.00 0.00 H new ATOM 1262 N ALA A 87 8.957 2.449 -10.860 1.00 0.00 N ATOM 1263 CA ALA A 87 10.367 2.040 -10.598 1.00 0.00 C ATOM 1264 C ALA A 87 10.385 0.758 -9.762 1.00 0.00 C ATOM 1265 O ALA A 87 11.319 -0.016 -9.822 1.00 0.00 O ATOM 1266 CB ALA A 87 11.089 3.152 -9.834 1.00 0.00 C ATOM 0 H ALA A 87 8.247 1.849 -10.440 1.00 0.00 H new ATOM 0 HA ALA A 87 10.871 1.862 -11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.119 2.852 -9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.081 4.066 -10.428 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.581 3.331 -8.886 1.00 0.00 H new ATOM 1272 N ILE A 88 9.361 0.532 -8.979 1.00 0.00 N ATOM 1273 CA ILE A 88 9.316 -0.697 -8.135 1.00 0.00 C ATOM 1274 C ILE A 88 10.032 -1.842 -8.851 1.00 0.00 C ATOM 1275 O ILE A 88 10.622 -2.703 -8.230 1.00 0.00 O ATOM 1276 CB ILE A 88 7.859 -1.088 -7.886 1.00 0.00 C ATOM 1277 CG1 ILE A 88 6.995 -0.597 -9.051 1.00 0.00 C ATOM 1278 CG2 ILE A 88 7.371 -0.451 -6.584 1.00 0.00 C ATOM 1279 CD1 ILE A 88 5.553 -1.064 -8.850 1.00 0.00 C ATOM 0 H ILE A 88 8.553 1.148 -8.889 1.00 0.00 H new ATOM 0 HA ILE A 88 9.812 -0.500 -7.184 1.00 0.00 H new ATOM 0 HB ILE A 88 7.783 -2.172 -7.807 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.031 0.491 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.385 -0.981 -9.994 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.332 -0.731 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.986 -0.801 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.446 0.634 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.938 -0.714 -9.679 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.525 -2.153 -8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.166 -0.658 -7.915 1.00 0.00 H new ATOM 1291 N LYS A 89 9.985 -1.860 -10.156 1.00 0.00 N ATOM 1292 CA LYS A 89 10.664 -2.951 -10.909 1.00 0.00 C ATOM 1293 C LYS A 89 10.028 -4.292 -10.541 1.00 0.00 C ATOM 1294 O LYS A 89 9.903 -4.633 -9.381 1.00 0.00 O ATOM 1295 CB LYS A 89 12.150 -2.974 -10.546 1.00 0.00 C ATOM 1296 CG LYS A 89 12.967 -2.355 -11.682 1.00 0.00 C ATOM 1297 CD LYS A 89 14.451 -2.660 -11.469 1.00 0.00 C ATOM 1298 CE LYS A 89 14.936 -1.972 -10.192 1.00 0.00 C ATOM 1299 NZ LYS A 89 16.425 -2.000 -10.148 1.00 0.00 N ATOM 0 H LYS A 89 9.506 -1.167 -10.731 1.00 0.00 H new ATOM 0 HA LYS A 89 10.556 -2.777 -11.980 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.317 -2.421 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 89 12.475 -3.999 -10.368 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.637 -2.754 -12.641 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.807 -1.277 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.605 -3.737 -11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.031 -2.313 -12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.580 -0.942 -10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 89 14.526 -2.476 -9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.756 -1.532 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.754 -2.987 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.806 -1.501 -10.977 1.00 0.00 H new ATOM 1313 N ASN A 90 9.627 -5.058 -11.518 1.00 0.00 N ATOM 1314 CA ASN A 90 9.002 -6.377 -11.218 1.00 0.00 C ATOM 1315 C ASN A 90 9.940 -7.193 -10.328 1.00 0.00 C ATOM 1316 O ASN A 90 9.528 -7.766 -9.338 1.00 0.00 O ATOM 1317 CB ASN A 90 8.751 -7.131 -12.526 1.00 0.00 C ATOM 1318 CG ASN A 90 9.926 -6.906 -13.479 1.00 0.00 C ATOM 1319 OD1 ASN A 90 10.692 -5.978 -13.308 1.00 0.00 O ATOM 1320 ND2 ASN A 90 10.100 -7.720 -14.484 1.00 0.00 N ATOM 0 H ASN A 90 9.705 -4.828 -12.509 1.00 0.00 H new ATOM 0 HA ASN A 90 8.055 -6.223 -10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.630 -8.196 -12.327 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.825 -6.785 -12.985 1.00 0.00 H new ATOM 0 HD21 ASN A 90 10.879 -7.578 -15.127 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.457 -8.499 -14.627 1.00 0.00 H new ATOM 1327 N SER A 91 11.199 -7.251 -10.672 1.00 0.00 N ATOM 1328 CA SER A 91 12.162 -8.031 -9.843 1.00 0.00 C ATOM 1329 C SER A 91 11.777 -7.909 -8.368 1.00 0.00 C ATOM 1330 O SER A 91 11.933 -8.835 -7.596 1.00 0.00 O ATOM 1331 CB SER A 91 13.575 -7.482 -10.049 1.00 0.00 C ATOM 1332 OG SER A 91 14.078 -7.938 -11.298 1.00 0.00 O ATOM 0 H SER A 91 11.601 -6.793 -11.490 1.00 0.00 H new ATOM 0 HA SER A 91 12.134 -9.079 -10.141 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.561 -6.392 -10.025 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.227 -7.810 -9.239 1.00 0.00 H new ATOM 0 HG SER A 91 14.983 -7.587 -11.434 1.00 0.00 H new ATOM 1338 N GLN A 92 11.271 -6.773 -7.970 1.00 0.00 N ATOM 1339 CA GLN A 92 10.875 -6.594 -6.545 1.00 0.00 C ATOM 1340 C GLN A 92 9.590 -7.380 -6.270 1.00 0.00 C ATOM 1341 O GLN A 92 9.505 -8.134 -5.321 1.00 0.00 O ATOM 1342 CB GLN A 92 10.634 -5.110 -6.262 1.00 0.00 C ATOM 1343 CG GLN A 92 10.116 -4.942 -4.832 1.00 0.00 C ATOM 1344 CD GLN A 92 10.982 -5.765 -3.875 1.00 0.00 C ATOM 1345 OE1 GLN A 92 12.187 -5.614 -3.847 1.00 0.00 O ATOM 1346 NE2 GLN A 92 10.414 -6.634 -3.086 1.00 0.00 N ATOM 0 H GLN A 92 11.115 -5.963 -8.570 1.00 0.00 H new ATOM 0 HA GLN A 92 11.673 -6.961 -5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.559 -4.549 -6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.912 -4.706 -6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.139 -3.890 -4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.077 -5.267 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.402 -6.760 -3.110 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.982 -7.188 -2.444 1.00 0.00 H new ATOM 1355 N ILE A 93 8.591 -7.213 -7.093 1.00 0.00 N ATOM 1356 CA ILE A 93 7.318 -7.954 -6.874 1.00 0.00 C ATOM 1357 C ILE A 93 7.626 -9.441 -6.687 1.00 0.00 C ATOM 1358 O ILE A 93 7.013 -10.116 -5.884 1.00 0.00 O ATOM 1359 CB ILE A 93 6.401 -7.764 -8.085 1.00 0.00 C ATOM 1360 CG1 ILE A 93 5.561 -6.500 -7.889 1.00 0.00 C ATOM 1361 CG2 ILE A 93 5.472 -8.972 -8.225 1.00 0.00 C ATOM 1362 CD1 ILE A 93 4.873 -6.134 -9.205 1.00 0.00 C ATOM 0 H ILE A 93 8.602 -6.597 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 93 6.819 -7.572 -5.983 1.00 0.00 H new ATOM 0 HB ILE A 93 7.007 -7.669 -8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.816 -6.663 -7.110 1.00 0.00 H new ATOM 0 HG13 ILE A 93 6.195 -5.678 -7.557 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.821 -8.832 -9.088 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.067 -9.875 -8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.865 -9.070 -7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.275 -5.234 -9.065 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.627 -5.953 -9.972 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.227 -6.954 -9.518 1.00 0.00 H new ATOM 1374 N ALA A 94 8.574 -9.956 -7.421 1.00 0.00 N ATOM 1375 CA ALA A 94 8.925 -11.397 -7.284 1.00 0.00 C ATOM 1376 C ALA A 94 9.491 -11.654 -5.886 1.00 0.00 C ATOM 1377 O ALA A 94 8.945 -12.419 -5.116 1.00 0.00 O ATOM 1378 CB ALA A 94 9.974 -11.768 -8.334 1.00 0.00 C ATOM 0 H ALA A 94 9.121 -9.440 -8.110 1.00 0.00 H new ATOM 0 HA ALA A 94 8.032 -12.004 -7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.231 -12.822 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.572 -11.585 -9.330 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.867 -11.161 -8.186 1.00 0.00 H new ATOM 1384 N GLU A 95 10.583 -11.022 -5.555 1.00 0.00 N ATOM 1385 CA GLU A 95 11.186 -11.230 -4.208 1.00 0.00 C ATOM 1386 C GLU A 95 10.173 -10.853 -3.125 1.00 0.00 C ATOM 1387 O GLU A 95 10.376 -11.114 -1.956 1.00 0.00 O ATOM 1388 CB GLU A 95 12.433 -10.354 -4.069 1.00 0.00 C ATOM 1389 CG GLU A 95 12.930 -10.395 -2.622 1.00 0.00 C ATOM 1390 CD GLU A 95 14.340 -9.808 -2.550 1.00 0.00 C ATOM 1391 OE1 GLU A 95 14.453 -8.597 -2.453 1.00 0.00 O ATOM 1392 OE2 GLU A 95 15.285 -10.580 -2.595 1.00 0.00 O ATOM 0 H GLU A 95 11.084 -10.370 -6.159 1.00 0.00 H new ATOM 0 HA GLU A 95 11.461 -12.278 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.214 -10.706 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.203 -9.328 -4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.256 -9.829 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.933 -11.422 -2.256 1.00 0.00 H new ATOM 1399 N GLU A 96 9.083 -10.242 -3.501 1.00 0.00 N ATOM 1400 CA GLU A 96 8.063 -9.851 -2.489 1.00 0.00 C ATOM 1401 C GLU A 96 7.217 -11.071 -2.119 1.00 0.00 C ATOM 1402 O GLU A 96 7.277 -11.568 -1.012 1.00 0.00 O ATOM 1403 CB GLU A 96 7.162 -8.760 -3.069 1.00 0.00 C ATOM 1404 CG GLU A 96 6.370 -8.099 -1.941 1.00 0.00 C ATOM 1405 CD GLU A 96 7.327 -7.339 -1.021 1.00 0.00 C ATOM 1406 OE1 GLU A 96 7.850 -7.953 -0.105 1.00 0.00 O ATOM 1407 OE2 GLU A 96 7.522 -6.157 -1.248 1.00 0.00 O ATOM 0 H GLU A 96 8.855 -9.997 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 96 8.562 -9.473 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.764 -8.015 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.480 -9.189 -3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.628 -7.416 -2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.826 -8.854 -1.373 1.00 0.00 H new ATOM 1414 N LEU A 97 6.428 -11.560 -3.037 1.00 0.00 N ATOM 1415 CA LEU A 97 5.580 -12.747 -2.734 1.00 0.00 C ATOM 1416 C LEU A 97 6.393 -14.024 -2.960 1.00 0.00 C ATOM 1417 O LEU A 97 5.919 -15.121 -2.736 1.00 0.00 O ATOM 1418 CB LEU A 97 4.359 -12.750 -3.656 1.00 0.00 C ATOM 1419 CG LEU A 97 3.565 -11.455 -3.462 1.00 0.00 C ATOM 1420 CD1 LEU A 97 3.469 -10.708 -4.793 1.00 0.00 C ATOM 1421 CD2 LEU A 97 2.155 -11.787 -2.965 1.00 0.00 C ATOM 0 H LEU A 97 6.334 -11.189 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 97 5.251 -12.704 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.676 -12.842 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.728 -13.611 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 97 4.072 -10.829 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.904 -9.787 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.471 -10.468 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.964 -11.336 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.591 -10.864 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.649 -12.415 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.220 -12.318 -2.015 1.00 0.00 H new ATOM 1433 N GLU A 98 7.614 -13.891 -3.401 1.00 0.00 N ATOM 1434 CA GLU A 98 8.455 -15.098 -3.639 1.00 0.00 C ATOM 1435 C GLU A 98 7.626 -16.164 -4.360 1.00 0.00 C ATOM 1436 O GLU A 98 7.208 -17.142 -3.771 1.00 0.00 O ATOM 1437 CB GLU A 98 8.943 -15.651 -2.298 1.00 0.00 C ATOM 1438 CG GLU A 98 9.324 -14.491 -1.376 1.00 0.00 C ATOM 1439 CD GLU A 98 9.825 -15.042 -0.040 1.00 0.00 C ATOM 1440 OE1 GLU A 98 10.837 -15.723 -0.044 1.00 0.00 O ATOM 1441 OE2 GLU A 98 9.187 -14.774 0.965 1.00 0.00 O ATOM 0 H GLU A 98 8.065 -13.000 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 98 9.313 -14.828 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.162 -16.255 -1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.802 -16.304 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.098 -13.881 -1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.462 -13.844 -1.214 1.00 0.00 H new ATOM 1448 N LEU A 99 7.383 -15.985 -5.630 1.00 0.00 N ATOM 1449 CA LEU A 99 6.581 -16.990 -6.384 1.00 0.00 C ATOM 1450 C LEU A 99 7.496 -17.760 -7.344 1.00 0.00 C ATOM 1451 O LEU A 99 8.406 -17.201 -7.923 1.00 0.00 O ATOM 1452 CB LEU A 99 5.490 -16.275 -7.183 1.00 0.00 C ATOM 1453 CG LEU A 99 6.109 -15.123 -7.977 1.00 0.00 C ATOM 1454 CD1 LEU A 99 5.467 -15.055 -9.365 1.00 0.00 C ATOM 1455 CD2 LEU A 99 5.861 -13.806 -7.240 1.00 0.00 C ATOM 0 H LEU A 99 7.705 -15.187 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 99 6.121 -17.687 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.002 -16.976 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.722 -15.895 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 99 7.181 -15.289 -8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.908 -14.234 -9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.640 -15.993 -9.892 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.395 -14.889 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.302 -12.984 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.788 -13.642 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.316 -13.851 -6.251 1.00 0.00 H new ATOM 1467 N PRO A 100 7.252 -19.035 -7.514 1.00 0.00 N ATOM 1468 CA PRO A 100 8.063 -19.894 -8.421 1.00 0.00 C ATOM 1469 C PRO A 100 8.391 -19.195 -9.745 1.00 0.00 C ATOM 1470 O PRO A 100 7.702 -18.284 -10.160 1.00 0.00 O ATOM 1471 CB PRO A 100 7.163 -21.104 -8.669 1.00 0.00 C ATOM 1472 CG PRO A 100 6.269 -21.197 -7.475 1.00 0.00 C ATOM 1473 CD PRO A 100 6.178 -19.796 -6.859 1.00 0.00 C ATOM 0 HA PRO A 100 9.028 -20.147 -7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 100 6.583 -20.979 -9.583 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.753 -22.013 -8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.280 -21.554 -7.763 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.667 -21.909 -6.752 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.203 -19.344 -7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.316 -19.828 -5.778 1.00 0.00 H new ATOM 1481 N PRO A 101 9.434 -19.627 -10.404 1.00 0.00 N ATOM 1482 CA PRO A 101 9.863 -19.042 -11.707 1.00 0.00 C ATOM 1483 C PRO A 101 8.991 -19.522 -12.871 1.00 0.00 C ATOM 1484 O PRO A 101 9.213 -19.170 -14.012 1.00 0.00 O ATOM 1485 CB PRO A 101 11.294 -19.551 -11.874 1.00 0.00 C ATOM 1486 CG PRO A 101 11.343 -20.837 -11.116 1.00 0.00 C ATOM 1487 CD PRO A 101 10.324 -20.721 -9.978 1.00 0.00 C ATOM 0 HA PRO A 101 9.780 -17.955 -11.712 1.00 0.00 H new ATOM 0 HB2 PRO A 101 11.537 -19.704 -12.925 1.00 0.00 H new ATOM 0 HB3 PRO A 101 12.015 -18.834 -11.481 1.00 0.00 H new ATOM 0 HG2 PRO A 101 11.102 -21.678 -11.766 1.00 0.00 H new ATOM 0 HG3 PRO A 101 12.344 -21.015 -10.722 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.774 -21.652 -9.839 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.810 -20.493 -9.029 1.00 0.00 H new ATOM 1495 N VAL A 102 8.003 -20.327 -12.592 1.00 0.00 N ATOM 1496 CA VAL A 102 7.122 -20.832 -13.682 1.00 0.00 C ATOM 1497 C VAL A 102 5.975 -19.847 -13.915 1.00 0.00 C ATOM 1498 O VAL A 102 5.133 -20.050 -14.766 1.00 0.00 O ATOM 1499 CB VAL A 102 6.548 -22.192 -13.283 1.00 0.00 C ATOM 1500 CG1 VAL A 102 5.996 -22.899 -14.523 1.00 0.00 C ATOM 1501 CG2 VAL A 102 7.651 -23.048 -12.659 1.00 0.00 C ATOM 0 H VAL A 102 7.768 -20.657 -11.656 1.00 0.00 H new ATOM 0 HA VAL A 102 7.704 -20.934 -14.598 1.00 0.00 H new ATOM 0 HB VAL A 102 5.745 -22.048 -12.560 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.587 -23.868 -14.237 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.209 -22.290 -14.969 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.798 -23.043 -15.247 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.242 -24.018 -12.374 1.00 0.00 H new ATOM 0 HG22 VAL A 102 8.454 -23.191 -13.382 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.044 -22.547 -11.775 1.00 0.00 H new ATOM 1511 N LYS A 103 5.933 -18.780 -13.164 1.00 0.00 N ATOM 1512 CA LYS A 103 4.838 -17.787 -13.345 1.00 0.00 C ATOM 1513 C LYS A 103 5.425 -16.374 -13.350 1.00 0.00 C ATOM 1514 O LYS A 103 4.820 -15.439 -12.865 1.00 0.00 O ATOM 1515 CB LYS A 103 3.835 -17.925 -12.197 1.00 0.00 C ATOM 1516 CG LYS A 103 2.744 -18.925 -12.595 1.00 0.00 C ATOM 1517 CD LYS A 103 2.059 -19.478 -11.339 1.00 0.00 C ATOM 1518 CE LYS A 103 2.250 -20.995 -11.276 1.00 0.00 C ATOM 1519 NZ LYS A 103 1.636 -21.524 -10.025 1.00 0.00 N ATOM 0 H LYS A 103 6.609 -18.554 -12.434 1.00 0.00 H new ATOM 0 HA LYS A 103 4.332 -17.969 -14.293 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.343 -18.264 -11.294 1.00 0.00 H new ATOM 0 HB3 LYS A 103 3.391 -16.956 -11.969 1.00 0.00 H new ATOM 0 HG2 LYS A 103 2.009 -18.438 -13.236 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.179 -19.741 -13.172 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.479 -19.011 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.996 -19.235 -11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.792 -21.466 -12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.312 -21.240 -11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.766 -22.555 -9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.093 -21.084 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.620 -21.303 -10.017 1.00 0.00 H new ATOM 1533 N VAL A 104 6.599 -16.211 -13.897 1.00 0.00 N ATOM 1534 CA VAL A 104 7.222 -14.859 -13.935 1.00 0.00 C ATOM 1535 C VAL A 104 6.694 -14.086 -15.144 1.00 0.00 C ATOM 1536 O VAL A 104 6.416 -12.906 -15.066 1.00 0.00 O ATOM 1537 CB VAL A 104 8.741 -15.002 -14.045 1.00 0.00 C ATOM 1538 CG1 VAL A 104 9.414 -13.715 -13.563 1.00 0.00 C ATOM 1539 CG2 VAL A 104 9.204 -16.174 -13.179 1.00 0.00 C ATOM 0 H VAL A 104 7.153 -16.956 -14.319 1.00 0.00 H new ATOM 0 HA VAL A 104 6.972 -14.318 -13.022 1.00 0.00 H new ATOM 0 HB VAL A 104 9.014 -15.185 -15.084 1.00 0.00 H new ATOM 0 HG11 VAL A 104 10.496 -13.819 -13.642 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.084 -12.879 -14.179 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.142 -13.529 -12.524 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.286 -16.278 -13.256 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.930 -15.989 -12.140 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.726 -17.091 -13.523 1.00 0.00 H new ATOM 1549 N HIS A 105 6.550 -14.740 -16.265 1.00 0.00 N ATOM 1550 CA HIS A 105 6.039 -14.037 -17.475 1.00 0.00 C ATOM 1551 C HIS A 105 4.902 -13.096 -17.072 1.00 0.00 C ATOM 1552 O HIS A 105 4.727 -12.038 -17.643 1.00 0.00 O ATOM 1553 CB HIS A 105 5.519 -15.064 -18.485 1.00 0.00 C ATOM 1554 CG HIS A 105 4.489 -15.940 -17.827 1.00 0.00 C ATOM 1555 ND1 HIS A 105 4.792 -17.203 -17.347 1.00 0.00 N ATOM 1556 CD2 HIS A 105 3.155 -15.749 -17.564 1.00 0.00 C ATOM 1557 CE1 HIS A 105 3.664 -17.720 -16.825 1.00 0.00 C ATOM 1558 NE2 HIS A 105 2.636 -16.874 -16.931 1.00 0.00 N ATOM 0 H HIS A 105 6.764 -15.729 -16.394 1.00 0.00 H new ATOM 0 HA HIS A 105 6.846 -13.462 -17.929 1.00 0.00 H new ATOM 0 HB2 HIS A 105 5.083 -14.555 -19.345 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.343 -15.672 -18.858 1.00 0.00 H new ATOM 0 HD1 HIS A 105 5.704 -17.659 -17.382 1.00 0.00 H new ATOM 0 HD2 HIS A 105 2.594 -14.860 -17.811 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.598 -18.700 -16.375 1.00 0.00 H new ATOM 1566 N CYS A 106 4.129 -13.470 -16.089 1.00 0.00 N ATOM 1567 CA CYS A 106 3.008 -12.595 -15.648 1.00 0.00 C ATOM 1568 C CYS A 106 3.575 -11.385 -14.905 1.00 0.00 C ATOM 1569 O CYS A 106 3.184 -10.259 -15.144 1.00 0.00 O ATOM 1570 CB CYS A 106 2.080 -13.379 -14.719 1.00 0.00 C ATOM 1571 SG CYS A 106 0.649 -13.973 -15.656 1.00 0.00 S ATOM 0 H CYS A 106 4.226 -14.344 -15.573 1.00 0.00 H new ATOM 0 HA CYS A 106 2.444 -12.258 -16.518 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.615 -14.221 -14.279 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.751 -12.745 -13.896 1.00 0.00 H new ATOM 0 HG CYS A 106 0.404 -15.209 -15.337 1.00 0.00 H new ATOM 1576 N SER A 107 4.500 -11.606 -14.011 1.00 0.00 N ATOM 1577 CA SER A 107 5.095 -10.465 -13.262 1.00 0.00 C ATOM 1578 C SER A 107 5.659 -9.454 -14.259 1.00 0.00 C ATOM 1579 O SER A 107 5.384 -8.272 -14.186 1.00 0.00 O ATOM 1580 CB SER A 107 6.221 -10.978 -12.363 1.00 0.00 C ATOM 1581 OG SER A 107 6.560 -9.973 -11.416 1.00 0.00 O ATOM 0 H SER A 107 4.868 -12.526 -13.768 1.00 0.00 H new ATOM 0 HA SER A 107 4.331 -9.989 -12.647 1.00 0.00 H new ATOM 0 HB2 SER A 107 5.907 -11.887 -11.850 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.093 -11.237 -12.964 1.00 0.00 H new ATOM 0 HG SER A 107 7.280 -10.299 -10.837 1.00 0.00 H new ATOM 1587 N ILE A 108 6.442 -9.912 -15.197 1.00 0.00 N ATOM 1588 CA ILE A 108 7.020 -8.984 -16.207 1.00 0.00 C ATOM 1589 C ILE A 108 5.899 -8.139 -16.812 1.00 0.00 C ATOM 1590 O ILE A 108 5.904 -6.927 -16.726 1.00 0.00 O ATOM 1591 CB ILE A 108 7.703 -9.794 -17.310 1.00 0.00 C ATOM 1592 CG1 ILE A 108 8.768 -10.701 -16.689 1.00 0.00 C ATOM 1593 CG2 ILE A 108 8.364 -8.842 -18.309 1.00 0.00 C ATOM 1594 CD1 ILE A 108 9.275 -11.690 -17.741 1.00 0.00 C ATOM 0 H ILE A 108 6.706 -10.891 -15.307 1.00 0.00 H new ATOM 0 HA ILE A 108 7.753 -8.332 -15.731 1.00 0.00 H new ATOM 0 HB ILE A 108 6.961 -10.403 -17.826 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.595 -10.101 -16.310 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.350 -11.241 -15.839 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.851 -9.420 -19.095 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.606 -8.195 -18.751 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.107 -8.232 -17.794 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.033 -12.335 -17.298 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.444 -12.299 -18.099 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.709 -11.141 -18.577 1.00 0.00 H new ATOM 1606 N LEU A 109 4.932 -8.770 -17.421 1.00 0.00 N ATOM 1607 CA LEU A 109 3.808 -8.002 -18.027 1.00 0.00 C ATOM 1608 C LEU A 109 3.416 -6.859 -17.089 1.00 0.00 C ATOM 1609 O LEU A 109 3.509 -5.698 -17.435 1.00 0.00 O ATOM 1610 CB LEU A 109 2.606 -8.929 -18.226 1.00 0.00 C ATOM 1611 CG LEU A 109 2.578 -9.436 -19.669 1.00 0.00 C ATOM 1612 CD1 LEU A 109 3.678 -10.480 -19.866 1.00 0.00 C ATOM 1613 CD2 LEU A 109 1.216 -10.075 -19.953 1.00 0.00 C ATOM 0 H LEU A 109 4.872 -9.783 -17.525 1.00 0.00 H new ATOM 0 HA LEU A 109 4.119 -7.597 -18.990 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.666 -9.771 -17.536 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.682 -8.396 -18.000 1.00 0.00 H new ATOM 0 HG LEU A 109 2.743 -8.602 -20.351 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.657 -10.841 -20.894 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.649 -10.029 -19.659 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.513 -11.315 -19.185 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.191 -10.438 -20.981 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.056 -10.909 -19.270 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.430 -9.334 -19.811 1.00 0.00 H new ATOM 1625 N ALA A 110 2.975 -7.181 -15.904 1.00 0.00 N ATOM 1626 CA ALA A 110 2.575 -6.117 -14.941 1.00 0.00 C ATOM 1627 C ALA A 110 3.527 -4.926 -15.069 1.00 0.00 C ATOM 1628 O ALA A 110 3.137 -3.848 -15.469 1.00 0.00 O ATOM 1629 CB ALA A 110 2.638 -6.670 -13.516 1.00 0.00 C ATOM 0 H ALA A 110 2.874 -8.136 -15.561 1.00 0.00 H new ATOM 0 HA ALA A 110 1.558 -5.793 -15.161 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.346 -5.892 -12.811 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.959 -7.517 -13.424 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.655 -6.995 -13.296 1.00 0.00 H new ATOM 1635 N GLU A 111 4.775 -5.111 -14.729 1.00 0.00 N ATOM 1636 CA GLU A 111 5.746 -3.987 -14.833 1.00 0.00 C ATOM 1637 C GLU A 111 5.510 -3.233 -16.142 1.00 0.00 C ATOM 1638 O GLU A 111 5.470 -2.018 -16.172 1.00 0.00 O ATOM 1639 CB GLU A 111 7.174 -4.537 -14.808 1.00 0.00 C ATOM 1640 CG GLU A 111 8.122 -3.529 -15.463 1.00 0.00 C ATOM 1641 CD GLU A 111 7.742 -2.113 -15.027 1.00 0.00 C ATOM 1642 OE1 GLU A 111 7.534 -1.915 -13.841 1.00 0.00 O ATOM 1643 OE2 GLU A 111 7.664 -1.251 -15.887 1.00 0.00 O ATOM 0 H GLU A 111 5.162 -5.990 -14.385 1.00 0.00 H new ATOM 0 HA GLU A 111 5.608 -3.308 -13.991 1.00 0.00 H new ATOM 0 HB2 GLU A 111 7.483 -4.728 -13.780 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.217 -5.489 -15.336 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.152 -3.744 -15.178 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.067 -3.614 -16.548 1.00 0.00 H new ATOM 1650 N ASP A 112 5.348 -3.942 -17.224 1.00 0.00 N ATOM 1651 CA ASP A 112 5.109 -3.266 -18.529 1.00 0.00 C ATOM 1652 C ASP A 112 3.746 -2.574 -18.494 1.00 0.00 C ATOM 1653 O ASP A 112 3.441 -1.738 -19.322 1.00 0.00 O ATOM 1654 CB ASP A 112 5.126 -4.304 -19.653 1.00 0.00 C ATOM 1655 CG ASP A 112 6.047 -3.825 -20.776 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.843 -2.721 -21.253 1.00 0.00 O ATOM 1657 OD2 ASP A 112 6.940 -4.571 -21.143 1.00 0.00 O ATOM 0 H ASP A 112 5.371 -4.961 -17.261 1.00 0.00 H new ATOM 0 HA ASP A 112 5.891 -2.528 -18.708 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.471 -5.264 -19.270 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.117 -4.457 -20.036 1.00 0.00 H new ATOM 1662 N ALA A 113 2.923 -2.916 -17.540 1.00 0.00 N ATOM 1663 CA ALA A 113 1.580 -2.280 -17.448 1.00 0.00 C ATOM 1664 C ALA A 113 1.709 -0.908 -16.784 1.00 0.00 C ATOM 1665 O ALA A 113 1.142 0.066 -17.236 1.00 0.00 O ATOM 1666 CB ALA A 113 0.651 -3.167 -16.616 1.00 0.00 C ATOM 0 H ALA A 113 3.124 -3.610 -16.820 1.00 0.00 H new ATOM 0 HA ALA A 113 1.165 -2.160 -18.449 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.332 -2.702 -16.548 1.00 0.00 H new ATOM 0 HB2 ALA A 113 0.558 -4.144 -17.091 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.064 -3.289 -15.615 1.00 0.00 H new ATOM 1672 N ILE A 114 2.452 -0.822 -15.714 1.00 0.00 N ATOM 1673 CA ILE A 114 2.615 0.489 -15.027 1.00 0.00 C ATOM 1674 C ILE A 114 3.323 1.466 -15.968 1.00 0.00 C ATOM 1675 O ILE A 114 2.984 2.631 -16.040 1.00 0.00 O ATOM 1676 CB ILE A 114 3.446 0.303 -13.754 1.00 0.00 C ATOM 1677 CG1 ILE A 114 3.059 1.375 -12.731 1.00 0.00 C ATOM 1678 CG2 ILE A 114 4.934 0.429 -14.086 1.00 0.00 C ATOM 1679 CD1 ILE A 114 1.919 0.854 -11.855 1.00 0.00 C ATOM 0 H ILE A 114 2.952 -1.602 -15.287 1.00 0.00 H new ATOM 0 HA ILE A 114 1.636 0.886 -14.759 1.00 0.00 H new ATOM 0 HB ILE A 114 3.252 -0.686 -13.338 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.920 1.631 -12.113 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.752 2.287 -13.242 1.00 0.00 H new ATOM 0 HG21 ILE A 114 5.522 0.296 -13.178 1.00 0.00 H new ATOM 0 HG22 ILE A 114 5.211 -0.335 -14.812 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.131 1.416 -14.505 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.643 1.616 -11.126 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.057 0.620 -12.480 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.243 -0.046 -11.333 1.00 0.00 H new ATOM 1691 N LYS A 115 4.302 0.999 -16.694 1.00 0.00 N ATOM 1692 CA LYS A 115 5.029 1.898 -17.634 1.00 0.00 C ATOM 1693 C LYS A 115 4.113 2.243 -18.810 1.00 0.00 C ATOM 1694 O LYS A 115 4.152 3.335 -19.343 1.00 0.00 O ATOM 1695 CB LYS A 115 6.280 1.187 -18.155 1.00 0.00 C ATOM 1696 CG LYS A 115 7.430 1.383 -17.166 1.00 0.00 C ATOM 1697 CD LYS A 115 8.684 0.684 -17.698 1.00 0.00 C ATOM 1698 CE LYS A 115 9.841 0.889 -16.717 1.00 0.00 C ATOM 1699 NZ LYS A 115 10.994 1.508 -17.430 1.00 0.00 N ATOM 0 H LYS A 115 4.630 0.033 -16.677 1.00 0.00 H new ATOM 0 HA LYS A 115 5.321 2.811 -17.116 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.078 0.124 -18.288 1.00 0.00 H new ATOM 0 HB3 LYS A 115 6.556 1.583 -19.132 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.625 2.446 -17.025 1.00 0.00 H new ATOM 0 HG3 LYS A 115 7.159 0.976 -16.192 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.491 -0.380 -17.831 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.948 1.084 -18.677 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.524 1.528 -15.893 1.00 0.00 H new ATOM 0 HE3 LYS A 115 10.138 -0.066 -16.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 11.780 1.647 -16.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 11.301 0.882 -18.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.706 2.427 -17.823 1.00 0.00 H new ATOM 1713 N ALA A 116 3.287 1.318 -19.217 1.00 0.00 N ATOM 1714 CA ALA A 116 2.367 1.585 -20.356 1.00 0.00 C ATOM 1715 C ALA A 116 1.450 2.759 -20.008 1.00 0.00 C ATOM 1716 O ALA A 116 1.349 3.720 -20.746 1.00 0.00 O ATOM 1717 CB ALA A 116 1.520 0.340 -20.626 1.00 0.00 C ATOM 0 H ALA A 116 3.210 0.387 -18.808 1.00 0.00 H new ATOM 0 HA ALA A 116 2.949 1.831 -21.244 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.845 0.533 -21.460 1.00 0.00 H new ATOM 0 HB2 ALA A 116 2.173 -0.497 -20.873 1.00 0.00 H new ATOM 0 HB3 ALA A 116 0.938 0.096 -19.737 1.00 0.00 H new ATOM 1723 N ALA A 117 0.779 2.690 -18.890 1.00 0.00 N ATOM 1724 CA ALA A 117 -0.131 3.802 -18.498 1.00 0.00 C ATOM 1725 C ALA A 117 0.665 5.104 -18.391 1.00 0.00 C ATOM 1726 O ALA A 117 0.210 6.156 -18.797 1.00 0.00 O ATOM 1727 CB ALA A 117 -0.774 3.482 -17.146 1.00 0.00 C ATOM 0 H ALA A 117 0.822 1.912 -18.232 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.909 3.916 -19.253 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.440 4.295 -16.858 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.344 2.556 -17.224 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.004 3.366 -16.391 1.00 0.00 H new ATOM 1733 N ILE A 118 1.852 5.046 -17.851 1.00 0.00 N ATOM 1734 CA ILE A 118 2.672 6.285 -17.723 1.00 0.00 C ATOM 1735 C ILE A 118 2.914 6.883 -19.111 1.00 0.00 C ATOM 1736 O ILE A 118 3.079 8.076 -19.262 1.00 0.00 O ATOM 1737 CB ILE A 118 4.015 5.946 -17.072 1.00 0.00 C ATOM 1738 CG1 ILE A 118 3.781 5.499 -15.626 1.00 0.00 C ATOM 1739 CG2 ILE A 118 4.914 7.183 -17.081 1.00 0.00 C ATOM 1740 CD1 ILE A 118 5.047 4.828 -15.086 1.00 0.00 C ATOM 0 H ILE A 118 2.289 4.196 -17.494 1.00 0.00 H new ATOM 0 HA ILE A 118 2.141 7.008 -17.103 1.00 0.00 H new ATOM 0 HB ILE A 118 4.496 5.143 -17.630 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.520 6.357 -15.007 1.00 0.00 H new ATOM 0 HG13 ILE A 118 2.941 4.805 -15.580 1.00 0.00 H new ATOM 0 HG21 ILE A 118 5.870 6.941 -16.617 1.00 0.00 H new ATOM 0 HG22 ILE A 118 5.080 7.504 -18.109 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.433 7.986 -16.523 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.880 4.510 -14.057 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.288 3.960 -15.699 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.875 5.536 -15.117 1.00 0.00 H new ATOM 1752 N ALA A 119 2.939 6.062 -20.126 1.00 0.00 N ATOM 1753 CA ALA A 119 3.173 6.585 -21.502 1.00 0.00 C ATOM 1754 C ALA A 119 1.859 7.113 -22.085 1.00 0.00 C ATOM 1755 O ALA A 119 1.806 8.193 -22.640 1.00 0.00 O ATOM 1756 CB ALA A 119 3.706 5.459 -22.390 1.00 0.00 C ATOM 0 H ALA A 119 2.808 5.053 -20.062 1.00 0.00 H new ATOM 0 HA ALA A 119 3.901 7.395 -21.461 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.878 5.840 -23.397 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.643 5.084 -21.979 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.977 4.649 -22.428 1.00 0.00 H new ATOM 1762 N ASP A 120 0.800 6.360 -21.967 1.00 0.00 N ATOM 1763 CA ASP A 120 -0.506 6.819 -22.520 1.00 0.00 C ATOM 1764 C ASP A 120 -1.046 7.977 -21.676 1.00 0.00 C ATOM 1765 O ASP A 120 -2.017 8.616 -22.032 1.00 0.00 O ATOM 1766 CB ASP A 120 -1.507 5.661 -22.493 1.00 0.00 C ATOM 1767 CG ASP A 120 -2.442 5.757 -23.702 1.00 0.00 C ATOM 1768 OD1 ASP A 120 -2.306 6.702 -24.461 1.00 0.00 O ATOM 1769 OD2 ASP A 120 -3.280 4.882 -23.847 1.00 0.00 O ATOM 0 H ASP A 120 0.782 5.447 -21.512 1.00 0.00 H new ATOM 0 HA ASP A 120 -0.364 7.156 -23.547 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -0.976 4.709 -22.506 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -2.086 5.690 -21.570 1.00 0.00 H new ATOM 1774 N TYR A 121 -0.426 8.254 -20.562 1.00 0.00 N ATOM 1775 CA TYR A 121 -0.907 9.370 -19.699 1.00 0.00 C ATOM 1776 C TYR A 121 -0.097 10.633 -19.998 1.00 0.00 C ATOM 1777 O TYR A 121 -0.637 11.715 -20.110 1.00 0.00 O ATOM 1778 CB TYR A 121 -0.733 8.988 -18.226 1.00 0.00 C ATOM 1779 CG TYR A 121 -0.593 10.239 -17.390 1.00 0.00 C ATOM 1780 CD1 TYR A 121 -1.497 11.296 -17.555 1.00 0.00 C ATOM 1781 CD2 TYR A 121 0.440 10.342 -16.451 1.00 0.00 C ATOM 1782 CE1 TYR A 121 -1.366 12.455 -16.781 1.00 0.00 C ATOM 1783 CE2 TYR A 121 0.570 11.501 -15.676 1.00 0.00 C ATOM 1784 CZ TYR A 121 -0.332 12.558 -15.841 1.00 0.00 C ATOM 1785 OH TYR A 121 -0.205 13.700 -15.079 1.00 0.00 O ATOM 0 H TYR A 121 0.393 7.756 -20.212 1.00 0.00 H new ATOM 0 HA TYR A 121 -1.961 9.558 -19.903 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -1.590 8.406 -17.887 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.148 8.357 -18.105 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -2.295 11.217 -18.279 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.137 9.527 -16.324 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -2.062 13.271 -16.908 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.367 11.579 -14.951 1.00 0.00 H new ATOM 0 HH TYR A 121 0.562 13.608 -14.476 1.00 0.00 H new ATOM 1795 N LYS A 122 1.194 10.504 -20.127 1.00 0.00 N ATOM 1796 CA LYS A 122 2.035 11.699 -20.417 1.00 0.00 C ATOM 1797 C LYS A 122 2.127 11.906 -21.931 1.00 0.00 C ATOM 1798 O LYS A 122 2.680 12.881 -22.399 1.00 0.00 O ATOM 1799 CB LYS A 122 3.438 11.486 -19.846 1.00 0.00 C ATOM 1800 CG LYS A 122 4.010 12.825 -19.384 1.00 0.00 C ATOM 1801 CD LYS A 122 5.448 12.624 -18.902 1.00 0.00 C ATOM 1802 CE LYS A 122 6.042 13.971 -18.490 1.00 0.00 C ATOM 1803 NZ LYS A 122 7.513 13.829 -18.301 1.00 0.00 N ATOM 0 H LYS A 122 1.703 9.624 -20.044 1.00 0.00 H new ATOM 0 HA LYS A 122 1.585 12.579 -19.958 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.400 10.787 -19.010 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.086 11.043 -20.602 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.986 13.545 -20.202 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.399 13.236 -18.580 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.467 11.933 -18.059 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.049 12.177 -19.694 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.833 14.721 -19.253 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.578 14.318 -17.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.917 14.745 -18.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.701 13.126 -17.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.949 13.516 -19.192 1.00 0.00 H new ATOM 1817 N ALA A 123 1.590 10.999 -22.697 1.00 0.00 N ATOM 1818 CA ALA A 123 1.646 11.146 -24.179 1.00 0.00 C ATOM 1819 C ALA A 123 0.423 11.928 -24.659 1.00 0.00 C ATOM 1820 O ALA A 123 0.422 12.497 -25.734 1.00 0.00 O ATOM 1821 CB ALA A 123 1.653 9.762 -24.829 1.00 0.00 C ATOM 0 H ALA A 123 1.114 10.161 -22.362 1.00 0.00 H new ATOM 0 HA ALA A 123 2.553 11.682 -24.457 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.694 9.869 -25.913 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.524 9.204 -24.486 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.746 9.225 -24.552 1.00 0.00 H new ATOM 1827 N LYS A 124 -0.618 11.962 -23.873 1.00 0.00 N ATOM 1828 CA LYS A 124 -1.840 12.708 -24.286 1.00 0.00 C ATOM 1829 C LYS A 124 -1.814 14.112 -23.680 1.00 0.00 C ATOM 1830 O LYS A 124 -2.792 14.580 -23.131 1.00 0.00 O ATOM 1831 CB LYS A 124 -3.082 11.964 -23.794 1.00 0.00 C ATOM 1832 CG LYS A 124 -3.234 10.654 -24.569 1.00 0.00 C ATOM 1833 CD LYS A 124 -4.244 10.847 -25.701 1.00 0.00 C ATOM 1834 CE LYS A 124 -4.082 9.723 -26.726 1.00 0.00 C ATOM 1835 NZ LYS A 124 -5.009 9.955 -27.870 1.00 0.00 N ATOM 0 H LYS A 124 -0.675 11.505 -22.963 1.00 0.00 H new ATOM 0 HA LYS A 124 -1.867 12.784 -25.373 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -2.997 11.759 -22.727 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.968 12.584 -23.930 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -2.271 10.345 -24.975 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -3.568 9.860 -23.901 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -5.258 10.846 -25.302 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -4.090 11.814 -26.179 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -3.052 9.686 -27.081 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -4.294 8.760 -26.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -4.899 9.191 -28.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -5.990 9.970 -27.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -4.786 10.867 -28.318 1.00 0.00 H new