USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=21 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 43 HIS :FLIP no HD1:sc= -5.18! C(o=-6.4!,f=-4.1!) USER MOD Set 1.2: A 76 THR OG1 : rot -64:sc= 1.05 USER MOD Set 2.1: A 74 ASN :FLIP amide:sc= -0.643 F(o=-10!,f=-6.1) USER MOD Set 2.2: A 75 HIS :FLIP no HD1:sc= -5.44! C(o=-7.6!,f=-6.1!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -112:sc= 0.249 USER MOD Single : A 35 HIS : no HE2:sc= -18.7! C(o=-19!,f=-23!) 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 -161:sc= -1.95 (180deg=-3.15!) USER MOD Single : A 41 THR OG1 : rot -131:sc= -2.41! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0339! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -1.38 (180deg=-2.41!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -35:sc= -6.44! USER MOD Single : A 53 GLN : amide:sc= -0.0903 K(o=-0.09,f=-0.85) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.17 F(o=-0.76,f=-0.17) USER MOD Single : A 59 MET CE :methyl -126:sc=-0.00413 (180deg=-0.263) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.621 F(o=-4.2!,f=-0.62) USER MOD Single : A 61 SER OG : rot 180:sc= -0.24 USER MOD Single : A 69 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.3!) USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= -0.45 (180deg=-1.71!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.854 X(o=-0.85,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 310 N TYR A 21 74.824 3.875 -10.874 1.00 0.00 N ATOM 311 CA TYR A 21 75.941 4.524 -10.129 1.00 0.00 C ATOM 312 C TYR A 21 75.460 5.145 -8.827 1.00 0.00 C ATOM 313 O TYR A 21 74.359 5.650 -8.724 1.00 0.00 O ATOM 314 CB TYR A 21 76.491 5.630 -11.028 1.00 0.00 C ATOM 315 CG TYR A 21 77.115 5.045 -12.265 1.00 0.00 C ATOM 316 CD1 TYR A 21 78.143 4.101 -12.157 1.00 0.00 C ATOM 317 CD2 TYR A 21 76.679 5.465 -13.524 1.00 0.00 C ATOM 318 CE1 TYR A 21 78.733 3.578 -13.312 1.00 0.00 C ATOM 319 CE2 TYR A 21 77.266 4.942 -14.677 1.00 0.00 C ATOM 320 CZ TYR A 21 78.292 3.998 -14.572 1.00 0.00 C ATOM 321 OH TYR A 21 78.872 3.483 -15.712 1.00 0.00 O ATOM 0 HA TYR A 21 76.696 3.778 -9.881 1.00 0.00 H new ATOM 0 HB2 TYR A 21 75.688 6.312 -11.307 1.00 0.00 H new ATOM 0 HB3 TYR A 21 77.231 6.215 -10.482 1.00 0.00 H new ATOM 0 HD1 TYR A 21 78.480 3.777 -11.183 1.00 0.00 H new ATOM 0 HD2 TYR A 21 75.887 6.195 -13.605 1.00 0.00 H new ATOM 0 HE1 TYR A 21 79.528 2.851 -13.232 1.00 0.00 H new ATOM 0 HE2 TYR A 21 76.928 5.266 -15.650 1.00 0.00 H new ATOM 0 HH TYR A 21 78.449 3.879 -16.502 1.00 0.00 H new ATOM 331 N ILE A 22 76.303 5.127 -7.840 1.00 0.00 N ATOM 332 CA ILE A 22 75.947 5.726 -6.534 1.00 0.00 C ATOM 333 C ILE A 22 77.024 6.736 -6.160 1.00 0.00 C ATOM 334 O ILE A 22 78.064 6.765 -6.771 1.00 0.00 O ATOM 335 CB ILE A 22 75.983 4.555 -5.557 1.00 0.00 C ATOM 336 CG1 ILE A 22 77.445 4.017 -5.463 1.00 0.00 C ATOM 337 CG2 ILE A 22 74.999 3.478 -6.050 1.00 0.00 C ATOM 338 CD1 ILE A 22 77.628 2.725 -6.257 1.00 0.00 C ATOM 0 H ILE A 22 77.236 4.717 -7.885 1.00 0.00 H new ATOM 0 HA ILE A 22 74.982 6.232 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 22 75.678 4.862 -4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 22 78.135 4.774 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 22 77.701 3.840 -4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 22 75.011 2.632 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 22 73.993 3.896 -6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.295 3.142 -7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 22 78.659 2.384 -6.165 1.00 0.00 H new ATOM 0 HD12 ILE A 22 76.957 1.960 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 22 77.398 2.907 -7.307 1.00 0.00 H new ATOM 350 N LYS A 23 76.818 7.533 -5.154 1.00 0.00 N ATOM 351 CA LYS A 23 77.888 8.484 -4.748 1.00 0.00 C ATOM 352 C LYS A 23 78.594 7.879 -3.545 1.00 0.00 C ATOM 353 O LYS A 23 78.164 8.031 -2.418 1.00 0.00 O ATOM 354 CB LYS A 23 77.180 9.787 -4.368 1.00 0.00 C ATOM 355 CG LYS A 23 78.227 10.857 -4.050 1.00 0.00 C ATOM 356 CD LYS A 23 77.538 12.194 -3.766 1.00 0.00 C ATOM 357 CE LYS A 23 78.599 13.294 -3.714 1.00 0.00 C ATOM 358 NZ LYS A 23 77.848 14.561 -3.490 1.00 0.00 N ATOM 0 H LYS A 23 75.963 7.569 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 23 78.621 8.674 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 23 76.541 10.119 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.535 9.625 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 23 78.819 10.553 -3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 23 78.916 10.964 -4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 23 76.805 12.413 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 23 76.997 12.147 -2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 23 79.313 13.113 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 23 79.168 13.334 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 78.516 15.357 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 77.182 14.713 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 77.321 14.499 -2.595 1.00 0.00 H new ATOM 372 N LEU A 24 79.669 7.183 -3.768 1.00 0.00 N ATOM 373 CA LEU A 24 80.370 6.560 -2.632 1.00 0.00 C ATOM 374 C LEU A 24 81.663 7.304 -2.346 1.00 0.00 C ATOM 375 O LEU A 24 82.428 7.601 -3.243 1.00 0.00 O ATOM 376 CB LEU A 24 80.681 5.124 -3.060 1.00 0.00 C ATOM 377 CG LEU A 24 81.365 4.422 -1.886 1.00 0.00 C ATOM 378 CD1 LEU A 24 81.043 2.926 -1.879 1.00 0.00 C ATOM 379 CD2 LEU A 24 82.873 4.599 -2.003 1.00 0.00 C ATOM 0 H LEU A 24 80.086 7.022 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 24 79.763 6.587 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 24 79.765 4.601 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 24 81.328 5.119 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 24 80.998 4.865 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 24 81.542 2.450 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.966 2.786 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 24 81.392 2.474 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 24 83.364 4.100 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 24 83.219 4.163 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 24 83.117 5.661 -1.985 1.00 0.00 H new ATOM 391 N LYS A 25 81.938 7.592 -1.112 1.00 0.00 N ATOM 392 CA LYS A 25 83.205 8.290 -0.805 1.00 0.00 C ATOM 393 C LYS A 25 83.958 7.515 0.281 1.00 0.00 C ATOM 394 O LYS A 25 83.390 7.108 1.274 1.00 0.00 O ATOM 395 CB LYS A 25 82.800 9.668 -0.289 1.00 0.00 C ATOM 396 CG LYS A 25 82.047 9.509 1.032 1.00 0.00 C ATOM 397 CD LYS A 25 81.776 10.881 1.634 1.00 0.00 C ATOM 398 CE LYS A 25 80.943 10.722 2.905 1.00 0.00 C ATOM 399 NZ LYS A 25 80.913 12.082 3.513 1.00 0.00 N ATOM 0 H LYS A 25 81.346 7.376 -0.310 1.00 0.00 H new ATOM 0 HA LYS A 25 83.858 8.368 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.684 10.290 -0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 25 82.171 10.173 -1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.108 8.982 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.633 8.906 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 25 82.717 11.382 1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 25 81.247 11.508 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.937 10.368 2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.391 9.995 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 80.358 12.057 4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 81.884 12.389 3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 80.476 12.750 2.847 1.00 0.00 H new ATOM 413 N VAL A 26 85.227 7.306 0.117 1.00 0.00 N ATOM 414 CA VAL A 26 85.982 6.565 1.167 1.00 0.00 C ATOM 415 C VAL A 26 87.152 7.429 1.638 1.00 0.00 C ATOM 416 O VAL A 26 87.839 8.040 0.847 1.00 0.00 O ATOM 417 CB VAL A 26 86.463 5.263 0.510 1.00 0.00 C ATOM 418 CG1 VAL A 26 85.342 4.702 -0.369 1.00 0.00 C ATOM 419 CG2 VAL A 26 87.708 5.523 -0.337 1.00 0.00 C ATOM 0 H VAL A 26 85.775 7.610 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 26 85.374 6.337 2.043 1.00 0.00 H new ATOM 0 HB VAL A 26 86.718 4.541 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 26 85.676 3.777 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 26 84.464 4.500 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 26 85.086 5.429 -1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 26 88.037 4.591 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.473 6.248 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.503 5.916 0.296 1.00 0.00 H new ATOM 429 N ILE A 27 87.371 7.500 2.919 1.00 0.00 N ATOM 430 CA ILE A 27 88.487 8.344 3.430 1.00 0.00 C ATOM 431 C ILE A 27 89.448 7.497 4.265 1.00 0.00 C ATOM 432 O ILE A 27 89.071 6.479 4.805 1.00 0.00 O ATOM 433 CB ILE A 27 87.814 9.413 4.301 1.00 0.00 C ATOM 434 CG1 ILE A 27 87.011 8.739 5.418 1.00 0.00 C ATOM 435 CG2 ILE A 27 86.875 10.263 3.442 1.00 0.00 C ATOM 436 CD1 ILE A 27 86.624 9.781 6.469 1.00 0.00 C ATOM 0 H ILE A 27 86.829 7.013 3.633 1.00 0.00 H new ATOM 0 HA ILE A 27 89.072 8.787 2.624 1.00 0.00 H new ATOM 0 HB ILE A 27 88.581 10.051 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 27 86.116 8.273 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 27 87.601 7.946 5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 27 86.399 11.021 4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 27 87.446 10.749 2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 27 86.110 9.625 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 27 86.053 9.301 7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 27 87.526 10.227 6.889 1.00 0.00 H new ATOM 0 HD13 ILE A 27 86.017 10.558 6.004 1.00 0.00 H new ATOM 448 N GLY A 28 90.684 7.908 4.370 1.00 0.00 N ATOM 449 CA GLY A 28 91.666 7.117 5.166 1.00 0.00 C ATOM 450 C GLY A 28 92.385 8.031 6.163 1.00 0.00 C ATOM 451 O GLY A 28 92.427 9.235 5.992 1.00 0.00 O ATOM 0 H GLY A 28 91.055 8.755 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 28 91.154 6.315 5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 28 92.391 6.647 4.502 1.00 0.00 H new ATOM 455 N GLN A 29 92.949 7.463 7.206 1.00 0.00 N ATOM 456 CA GLN A 29 93.662 8.290 8.234 1.00 0.00 C ATOM 457 C GLN A 29 94.859 9.023 7.631 1.00 0.00 C ATOM 458 O GLN A 29 95.444 9.889 8.250 1.00 0.00 O ATOM 459 CB GLN A 29 94.117 7.312 9.312 1.00 0.00 C ATOM 460 CG GLN A 29 94.826 8.096 10.418 1.00 0.00 C ATOM 461 CD GLN A 29 95.268 7.141 11.525 1.00 0.00 C ATOM 462 OE1 GLN A 29 95.441 5.961 11.291 1.00 0.00 O ATOM 463 NE2 GLN A 29 95.474 7.605 12.727 1.00 0.00 N ATOM 0 H GLN A 29 92.946 6.460 7.389 1.00 0.00 H new ATOM 0 HA GLN A 29 93.006 9.061 8.638 1.00 0.00 H new ATOM 0 HB2 GLN A 29 93.261 6.774 9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 29 94.789 6.567 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 29 95.691 8.619 10.009 1.00 0.00 H new ATOM 0 HG3 GLN A 29 94.158 8.855 10.825 1.00 0.00 H new ATOM 0 HE21 GLN A 29 95.329 8.595 12.923 1.00 0.00 H new ATOM 0 HE22 GLN A 29 95.780 6.977 13.470 1.00 0.00 H new ATOM 472 N ASP A 30 95.200 8.715 6.417 1.00 0.00 N ATOM 473 CA ASP A 30 96.322 9.424 5.751 1.00 0.00 C ATOM 474 C ASP A 30 95.782 10.733 5.161 1.00 0.00 C ATOM 475 O ASP A 30 96.373 11.331 4.281 1.00 0.00 O ATOM 476 CB ASP A 30 96.764 8.466 4.647 1.00 0.00 C ATOM 477 CG ASP A 30 95.599 8.268 3.677 1.00 0.00 C ATOM 478 OD1 ASP A 30 94.506 8.702 4.007 1.00 0.00 O ATOM 479 OD2 ASP A 30 95.811 7.678 2.634 1.00 0.00 O ATOM 0 H ASP A 30 94.747 7.997 5.852 1.00 0.00 H new ATOM 0 HA ASP A 30 97.148 9.678 6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.630 8.869 4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.067 7.510 5.075 1.00 0.00 H new ATOM 484 N SER A 31 94.638 11.163 5.643 1.00 0.00 N ATOM 485 CA SER A 31 94.004 12.403 5.139 1.00 0.00 C ATOM 486 C SER A 31 93.661 12.228 3.667 1.00 0.00 C ATOM 487 O SER A 31 93.809 13.124 2.862 1.00 0.00 O ATOM 488 CB SER A 31 95.027 13.510 5.363 1.00 0.00 C ATOM 489 OG SER A 31 95.317 13.593 6.752 1.00 0.00 O ATOM 0 H SER A 31 94.115 10.690 6.379 1.00 0.00 H new ATOM 0 HA SER A 31 93.072 12.644 5.651 1.00 0.00 H new ATOM 0 HB2 SER A 31 95.937 13.303 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 31 94.638 14.462 5.001 1.00 0.00 H new ATOM 0 HG SER A 31 95.976 14.302 6.907 1.00 0.00 H new ATOM 495 N SER A 32 93.174 11.065 3.324 1.00 0.00 N ATOM 496 CA SER A 32 92.773 10.799 1.917 1.00 0.00 C ATOM 497 C SER A 32 91.266 10.968 1.793 1.00 0.00 C ATOM 498 O SER A 32 90.503 10.298 2.460 1.00 0.00 O ATOM 499 CB SER A 32 93.145 9.345 1.664 1.00 0.00 C ATOM 500 OG SER A 32 92.526 8.538 2.658 1.00 0.00 O ATOM 0 H SER A 32 93.037 10.284 3.965 1.00 0.00 H new ATOM 0 HA SER A 32 93.256 11.473 1.209 1.00 0.00 H new ATOM 0 HB2 SER A 32 92.818 9.038 0.670 1.00 0.00 H new ATOM 0 HB3 SER A 32 94.227 9.221 1.696 1.00 0.00 H new ATOM 0 HG SER A 32 93.212 8.162 3.248 1.00 0.00 H new ATOM 506 N GLU A 33 90.822 11.851 0.957 1.00 0.00 N ATOM 507 CA GLU A 33 89.359 12.046 0.812 1.00 0.00 C ATOM 508 C GLU A 33 88.894 11.642 -0.588 1.00 0.00 C ATOM 509 O GLU A 33 89.312 12.209 -1.575 1.00 0.00 O ATOM 510 CB GLU A 33 89.148 13.539 1.039 1.00 0.00 C ATOM 511 CG GLU A 33 87.697 13.894 0.732 1.00 0.00 C ATOM 512 CD GLU A 33 87.434 15.351 1.119 1.00 0.00 C ATOM 513 OE1 GLU A 33 88.113 15.839 2.006 1.00 0.00 O ATOM 514 OE2 GLU A 33 86.558 15.952 0.521 1.00 0.00 O ATOM 0 H GLU A 33 91.404 12.446 0.368 1.00 0.00 H new ATOM 0 HA GLU A 33 88.789 11.435 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 33 89.388 13.800 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 33 89.818 14.114 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 33 87.492 13.746 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 33 87.026 13.234 1.282 1.00 0.00 H new ATOM 521 N ILE A 34 88.008 10.684 -0.678 1.00 0.00 N ATOM 522 CA ILE A 34 87.501 10.265 -2.016 1.00 0.00 C ATOM 523 C ILE A 34 86.004 10.489 -2.105 1.00 0.00 C ATOM 524 O ILE A 34 85.237 9.851 -1.418 1.00 0.00 O ATOM 525 CB ILE A 34 87.791 8.772 -2.124 1.00 0.00 C ATOM 526 CG1 ILE A 34 89.283 8.536 -2.007 1.00 0.00 C ATOM 527 CG2 ILE A 34 87.308 8.251 -3.477 1.00 0.00 C ATOM 528 CD1 ILE A 34 90.012 9.497 -2.944 1.00 0.00 C ATOM 0 H ILE A 34 87.616 10.176 0.115 1.00 0.00 H new ATOM 0 HA ILE A 34 87.976 10.837 -2.814 1.00 0.00 H new ATOM 0 HB ILE A 34 87.271 8.247 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 34 89.610 8.692 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 34 89.523 7.504 -2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 34 87.517 7.184 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 34 86.235 8.418 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 34 87.828 8.779 -4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 34 91.087 9.335 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 34 89.691 9.318 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 34 89.779 10.524 -2.664 1.00 0.00 H new ATOM 540 N HIS A 35 85.580 11.369 -2.962 1.00 0.00 N ATOM 541 CA HIS A 35 84.123 11.614 -3.105 1.00 0.00 C ATOM 542 C HIS A 35 83.705 11.405 -4.557 1.00 0.00 C ATOM 543 O HIS A 35 83.695 12.325 -5.348 1.00 0.00 O ATOM 544 CB HIS A 35 83.913 13.077 -2.713 1.00 0.00 C ATOM 545 CG HIS A 35 84.256 13.293 -1.265 1.00 0.00 C ATOM 546 ND1 HIS A 35 83.586 12.641 -0.243 1.00 0.00 N ATOM 547 CD2 HIS A 35 85.175 14.104 -0.650 1.00 0.00 C ATOM 548 CE1 HIS A 35 84.107 13.067 0.920 1.00 0.00 C ATOM 549 NE2 HIS A 35 85.075 13.960 0.729 1.00 0.00 N ATOM 0 H HIS A 35 86.178 11.929 -3.569 1.00 0.00 H new ATOM 0 HA HIS A 35 83.534 10.938 -2.486 1.00 0.00 H new ATOM 0 HB2 HIS A 35 84.533 13.719 -3.339 1.00 0.00 H new ATOM 0 HB3 HIS A 35 82.876 13.362 -2.893 1.00 0.00 H new ATOM 0 HD1 HIS A 35 82.834 11.961 -0.353 1.00 0.00 H new ATOM 0 HD2 HIS A 35 85.870 14.755 -1.159 1.00 0.00 H new ATOM 0 HE1 HIS A 35 83.780 12.726 1.891 1.00 0.00 H new ATOM 557 N PHE A 36 83.352 10.211 -4.918 1.00 0.00 N ATOM 558 CA PHE A 36 82.937 9.983 -6.331 1.00 0.00 C ATOM 559 C PHE A 36 81.878 8.885 -6.429 1.00 0.00 C ATOM 560 O PHE A 36 81.527 8.250 -5.454 1.00 0.00 O ATOM 561 CB PHE A 36 84.224 9.632 -7.091 1.00 0.00 C ATOM 562 CG PHE A 36 84.757 8.258 -6.722 1.00 0.00 C ATOM 563 CD1 PHE A 36 84.289 7.580 -5.590 1.00 0.00 C ATOM 564 CD2 PHE A 36 85.749 7.672 -7.521 1.00 0.00 C ATOM 565 CE1 PHE A 36 84.808 6.326 -5.260 1.00 0.00 C ATOM 566 CE2 PHE A 36 86.266 6.413 -7.192 1.00 0.00 C ATOM 567 CZ PHE A 36 85.795 5.740 -6.059 1.00 0.00 C ATOM 0 H PHE A 36 83.331 9.391 -4.311 1.00 0.00 H new ATOM 0 HA PHE A 36 82.466 10.866 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 36 84.031 9.668 -8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 36 84.985 10.383 -6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 36 83.525 8.027 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 36 86.115 8.193 -8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 36 84.446 5.807 -4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 36 87.027 5.962 -7.812 1.00 0.00 H new ATOM 0 HZ PHE A 36 86.193 4.770 -5.802 1.00 0.00 H new ATOM 577 N LYS A 37 81.331 8.688 -7.597 1.00 0.00 N ATOM 578 CA LYS A 37 80.264 7.666 -7.747 1.00 0.00 C ATOM 579 C LYS A 37 80.811 6.416 -8.440 1.00 0.00 C ATOM 580 O LYS A 37 81.685 6.489 -9.281 1.00 0.00 O ATOM 581 CB LYS A 37 79.197 8.349 -8.602 1.00 0.00 C ATOM 582 CG LYS A 37 78.722 9.615 -7.887 1.00 0.00 C ATOM 583 CD LYS A 37 78.033 10.545 -8.890 1.00 0.00 C ATOM 584 CE LYS A 37 76.602 10.066 -9.143 1.00 0.00 C ATOM 585 NZ LYS A 37 76.235 10.653 -10.462 1.00 0.00 N ATOM 0 H LYS A 37 81.578 9.190 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 37 79.867 7.331 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 37 79.603 8.600 -9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 37 78.358 7.673 -8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.032 9.354 -7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.569 10.124 -7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 37 78.022 11.565 -8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 37 78.591 10.563 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 37 76.547 8.978 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 37 75.926 10.404 -8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 75.265 10.371 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 76.291 11.690 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 76.892 10.308 -11.190 1.00 0.00 H new ATOM 599 N VAL A 38 80.316 5.267 -8.074 1.00 0.00 N ATOM 600 CA VAL A 38 80.815 4.002 -8.686 1.00 0.00 C ATOM 601 C VAL A 38 79.629 3.115 -9.064 1.00 0.00 C ATOM 602 O VAL A 38 78.489 3.494 -8.908 1.00 0.00 O ATOM 603 CB VAL A 38 81.651 3.359 -7.578 1.00 0.00 C ATOM 604 CG1 VAL A 38 82.388 2.126 -8.106 1.00 0.00 C ATOM 605 CG2 VAL A 38 82.672 4.375 -7.064 1.00 0.00 C ATOM 0 H VAL A 38 79.584 5.148 -7.374 1.00 0.00 H new ATOM 0 HA VAL A 38 81.394 4.158 -9.596 1.00 0.00 H new ATOM 0 HB VAL A 38 80.987 3.052 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.977 1.683 -7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.664 1.397 -8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 38 83.049 2.419 -8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.271 3.922 -6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.324 4.682 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.151 5.247 -6.669 1.00 0.00 H new ATOM 615 N LYS A 39 79.886 1.944 -9.563 1.00 0.00 N ATOM 616 CA LYS A 39 78.777 1.040 -9.948 1.00 0.00 C ATOM 617 C LYS A 39 78.702 -0.139 -8.975 1.00 0.00 C ATOM 618 O LYS A 39 79.694 -0.762 -8.654 1.00 0.00 O ATOM 619 CB LYS A 39 79.137 0.583 -11.352 1.00 0.00 C ATOM 620 CG LYS A 39 78.054 -0.351 -11.865 1.00 0.00 C ATOM 621 CD LYS A 39 78.319 -0.696 -13.324 1.00 0.00 C ATOM 622 CE LYS A 39 77.231 -1.658 -13.785 1.00 0.00 C ATOM 623 NZ LYS A 39 77.645 -2.123 -15.134 1.00 0.00 N ATOM 0 H LYS A 39 80.823 1.573 -9.721 1.00 0.00 H new ATOM 0 HA LYS A 39 77.799 1.521 -9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 39 79.235 1.444 -12.014 1.00 0.00 H new ATOM 0 HB3 LYS A 39 80.101 0.074 -11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 39 78.031 -1.261 -11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 39 77.077 0.121 -11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 39 78.314 0.206 -13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 39 79.303 -1.152 -13.435 1.00 0.00 H new ATOM 0 HE2 LYS A 39 77.133 -2.497 -13.096 1.00 0.00 H new ATOM 0 HE3 LYS A 39 76.261 -1.162 -13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 76.936 -2.788 -15.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 77.722 -1.307 -15.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 78.567 -2.600 -15.069 1.00 0.00 H new ATOM 637 N MET A 40 77.532 -0.437 -8.495 1.00 0.00 N ATOM 638 CA MET A 40 77.383 -1.552 -7.532 1.00 0.00 C ATOM 639 C MET A 40 76.332 -2.520 -8.035 1.00 0.00 C ATOM 640 O MET A 40 75.207 -2.546 -7.578 1.00 0.00 O ATOM 641 CB MET A 40 76.949 -0.885 -6.233 1.00 0.00 C ATOM 642 CG MET A 40 78.133 -0.099 -5.664 1.00 0.00 C ATOM 643 SD MET A 40 79.377 -1.257 -5.039 1.00 0.00 S ATOM 644 CE MET A 40 80.017 -0.216 -3.703 1.00 0.00 C ATOM 0 H MET A 40 76.667 0.049 -8.731 1.00 0.00 H new ATOM 0 HA MET A 40 78.299 -2.127 -7.397 1.00 0.00 H new ATOM 0 HB2 MET A 40 76.105 -0.219 -6.414 1.00 0.00 H new ATOM 0 HB3 MET A 40 76.615 -1.635 -5.517 1.00 0.00 H new ATOM 0 HG2 MET A 40 78.567 0.537 -6.436 1.00 0.00 H new ATOM 0 HG3 MET A 40 77.796 0.558 -4.862 1.00 0.00 H new ATOM 0 HE1 MET A 40 81.000 -0.577 -3.400 1.00 0.00 H new ATOM 0 HE2 MET A 40 80.100 0.813 -4.052 1.00 0.00 H new ATOM 0 HE3 MET A 40 79.337 -0.257 -2.852 1.00 0.00 H new ATOM 654 N THR A 41 76.714 -3.332 -8.963 1.00 0.00 N ATOM 655 CA THR A 41 75.782 -4.334 -9.504 1.00 0.00 C ATOM 656 C THR A 41 76.083 -5.667 -8.826 1.00 0.00 C ATOM 657 O THR A 41 75.351 -6.628 -8.951 1.00 0.00 O ATOM 658 CB THR A 41 76.098 -4.380 -10.994 1.00 0.00 C ATOM 659 OG1 THR A 41 75.984 -3.074 -11.534 1.00 0.00 O ATOM 660 CG2 THR A 41 75.105 -5.296 -11.689 1.00 0.00 C ATOM 0 H THR A 41 77.647 -3.343 -9.375 1.00 0.00 H new ATOM 0 HA THR A 41 74.729 -4.108 -9.336 1.00 0.00 H new ATOM 0 HB THR A 41 77.111 -4.755 -11.144 1.00 0.00 H new ATOM 0 HG1 THR A 41 75.436 -3.102 -12.346 1.00 0.00 H new ATOM 0 HG21 THR A 41 75.328 -5.332 -12.755 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.180 -6.299 -11.269 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.094 -4.915 -11.542 1.00 0.00 H new ATOM 668 N THR A 42 77.172 -5.718 -8.104 1.00 0.00 N ATOM 669 CA THR A 42 77.557 -6.967 -7.402 1.00 0.00 C ATOM 670 C THR A 42 77.857 -6.642 -5.928 1.00 0.00 C ATOM 671 O THR A 42 76.963 -6.341 -5.162 1.00 0.00 O ATOM 672 CB THR A 42 78.807 -7.441 -8.148 1.00 0.00 C ATOM 673 OG1 THR A 42 79.920 -6.646 -7.767 1.00 0.00 O ATOM 674 CG2 THR A 42 78.584 -7.285 -9.654 1.00 0.00 C ATOM 0 H THR A 42 77.814 -4.937 -7.973 1.00 0.00 H new ATOM 0 HA THR A 42 76.782 -7.733 -7.399 1.00 0.00 H new ATOM 0 HB THR A 42 78.999 -8.486 -7.902 1.00 0.00 H new ATOM 0 HG1 THR A 42 80.719 -6.952 -8.244 1.00 0.00 H new ATOM 0 HG21 THR A 42 79.472 -7.621 -10.190 1.00 0.00 H new ATOM 0 HG22 THR A 42 77.727 -7.885 -9.959 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.395 -6.237 -9.887 1.00 0.00 H new ATOM 682 N HIS A 43 79.103 -6.670 -5.524 1.00 0.00 N ATOM 683 CA HIS A 43 79.430 -6.331 -4.107 1.00 0.00 C ATOM 684 C HIS A 43 80.288 -5.059 -4.088 1.00 0.00 C ATOM 685 O HIS A 43 80.662 -4.545 -5.124 1.00 0.00 O ATOM 686 CB HIS A 43 80.190 -7.544 -3.550 1.00 0.00 C ATOM 687 CG HIS A 43 79.467 -8.803 -3.950 1.00 0.00 C ATOM 688 ND1 HIS A 43 78.253 -9.329 -3.577 1.00 0.00 N flip ATOM 689 CD2 HIS A 43 79.985 -9.681 -4.889 1.00 0.00 C flip ATOM 690 CE1 HIS A 43 78.019 -10.508 -4.277 1.00 0.00 C flip ATOM 691 NE2 HIS A 43 79.093 -10.673 -5.054 1.00 0.00 N flip ATOM 0 H HIS A 43 79.902 -6.911 -6.110 1.00 0.00 H new ATOM 0 HA HIS A 43 78.547 -6.132 -3.500 1.00 0.00 H new ATOM 0 HB2 HIS A 43 81.210 -7.558 -3.934 1.00 0.00 H new ATOM 0 HB3 HIS A 43 80.259 -7.479 -2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 43 80.934 -9.585 -5.396 1.00 0.00 H new ATOM 0 HE1 HIS A 43 77.155 -11.152 -4.207 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.221 -11.456 -5.695 1.00 0.00 H new ATOM 699 N LEU A 44 80.580 -4.527 -2.931 1.00 0.00 N ATOM 700 CA LEU A 44 81.384 -3.266 -2.877 1.00 0.00 C ATOM 701 C LEU A 44 82.818 -3.468 -3.386 1.00 0.00 C ATOM 702 O LEU A 44 83.587 -2.527 -3.460 1.00 0.00 O ATOM 703 CB LEU A 44 81.369 -2.803 -1.410 1.00 0.00 C ATOM 704 CG LEU A 44 81.804 -3.931 -0.464 1.00 0.00 C ATOM 705 CD1 LEU A 44 83.300 -3.831 -0.180 1.00 0.00 C ATOM 706 CD2 LEU A 44 81.038 -3.791 0.853 1.00 0.00 C ATOM 0 H LEU A 44 80.300 -4.906 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 44 80.950 -2.512 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 44 82.034 -1.948 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.367 -2.468 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 44 81.592 -4.894 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 44 83.597 -4.636 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 44 83.854 -3.915 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 44 83.518 -2.870 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 44 81.338 -4.587 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 44 81.262 -2.824 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 44 79.967 -3.862 0.661 1.00 0.00 H new ATOM 718 N LYS A 45 83.188 -4.660 -3.764 1.00 0.00 N ATOM 719 CA LYS A 45 84.569 -4.859 -4.285 1.00 0.00 C ATOM 720 C LYS A 45 84.785 -3.958 -5.500 1.00 0.00 C ATOM 721 O LYS A 45 85.841 -3.420 -5.700 1.00 0.00 O ATOM 722 CB LYS A 45 84.639 -6.330 -4.710 1.00 0.00 C ATOM 723 CG LYS A 45 83.739 -6.547 -5.924 1.00 0.00 C ATOM 724 CD LYS A 45 83.792 -8.018 -6.355 1.00 0.00 C ATOM 725 CE LYS A 45 85.191 -8.348 -6.889 1.00 0.00 C ATOM 726 NZ LYS A 45 85.120 -9.769 -7.339 1.00 0.00 N ATOM 0 H LYS A 45 82.603 -5.495 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 45 85.329 -4.616 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 45 85.666 -6.602 -4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 45 84.323 -6.973 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 45 82.714 -6.266 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 45 84.060 -5.906 -6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 45 83.553 -8.664 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 45 83.044 -8.209 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 45 85.462 -7.688 -7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 45 85.947 -8.219 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 86.044 -10.060 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 84.868 -10.376 -6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 84.398 -9.862 -8.082 1.00 0.00 H new ATOM 740 N LYS A 46 83.790 -3.772 -6.312 1.00 0.00 N ATOM 741 CA LYS A 46 83.985 -2.903 -7.505 1.00 0.00 C ATOM 742 C LYS A 46 84.460 -1.505 -7.091 1.00 0.00 C ATOM 743 O LYS A 46 85.354 -0.943 -7.692 1.00 0.00 O ATOM 744 CB LYS A 46 82.613 -2.830 -8.171 1.00 0.00 C ATOM 745 CG LYS A 46 82.381 -4.100 -8.982 1.00 0.00 C ATOM 746 CD LYS A 46 83.302 -4.069 -10.200 1.00 0.00 C ATOM 747 CE LYS A 46 82.920 -5.179 -11.177 1.00 0.00 C ATOM 748 NZ LYS A 46 83.850 -4.995 -12.324 1.00 0.00 N ATOM 0 H LYS A 46 82.860 -4.177 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 46 84.746 -3.300 -8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.835 -2.719 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.556 -1.955 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 46 82.586 -4.981 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 46 81.339 -4.165 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 46 83.232 -3.100 -10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 46 84.338 -4.192 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 46 83.036 -6.164 -10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 46 81.880 -5.092 -11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 83.658 -5.718 -13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 83.711 -4.050 -12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 84.832 -5.088 -11.993 1.00 0.00 H new ATOM 762 N LEU A 47 83.870 -0.940 -6.080 1.00 0.00 N ATOM 763 CA LEU A 47 84.286 0.422 -5.638 1.00 0.00 C ATOM 764 C LEU A 47 85.626 0.374 -4.873 1.00 0.00 C ATOM 765 O LEU A 47 86.577 1.072 -5.203 1.00 0.00 O ATOM 766 CB LEU A 47 83.115 0.865 -4.733 1.00 0.00 C ATOM 767 CG LEU A 47 83.383 2.213 -4.040 1.00 0.00 C ATOM 768 CD1 LEU A 47 84.162 2.007 -2.741 1.00 0.00 C ATOM 769 CD2 LEU A 47 84.168 3.133 -4.954 1.00 0.00 C ATOM 0 H LEU A 47 83.116 -1.361 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 47 84.463 1.113 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 47 82.207 0.942 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.935 0.101 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 47 82.420 2.669 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 47 84.341 2.972 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 47 83.585 1.373 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.116 1.528 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 47 84.348 4.081 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.122 2.669 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 47 83.599 3.311 -5.867 1.00 0.00 H new ATOM 781 N LYS A 48 85.713 -0.432 -3.849 1.00 0.00 N ATOM 782 CA LYS A 48 86.980 -0.492 -3.058 1.00 0.00 C ATOM 783 C LYS A 48 88.070 -1.342 -3.728 1.00 0.00 C ATOM 784 O LYS A 48 89.233 -1.059 -3.573 1.00 0.00 O ATOM 785 CB LYS A 48 86.589 -1.087 -1.703 1.00 0.00 C ATOM 786 CG LYS A 48 86.043 -2.501 -1.892 1.00 0.00 C ATOM 787 CD LYS A 48 87.155 -3.519 -1.629 1.00 0.00 C ATOM 788 CE LYS A 48 86.542 -4.833 -1.141 1.00 0.00 C ATOM 789 NZ LYS A 48 86.184 -4.581 0.283 1.00 0.00 N ATOM 0 H LYS A 48 84.967 -1.049 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 48 87.414 0.504 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 48 87.455 -1.108 -1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 48 85.838 -0.459 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 48 85.209 -2.674 -1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 48 85.658 -2.621 -2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 48 87.729 -3.690 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 48 87.849 -3.131 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 48 85.664 -5.102 -1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 48 87.250 -5.657 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 85.499 -5.296 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 87.040 -4.636 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 85.762 -3.635 0.373 1.00 0.00 H new ATOM 803 N GLU A 49 87.739 -2.377 -4.460 1.00 0.00 N ATOM 804 CA GLU A 49 88.834 -3.192 -5.086 1.00 0.00 C ATOM 805 C GLU A 49 89.701 -2.292 -5.959 1.00 0.00 C ATOM 806 O GLU A 49 90.909 -2.268 -5.829 1.00 0.00 O ATOM 807 CB GLU A 49 88.127 -4.247 -5.937 1.00 0.00 C ATOM 808 CG GLU A 49 89.138 -5.211 -6.555 1.00 0.00 C ATOM 809 CD GLU A 49 88.379 -6.253 -7.379 1.00 0.00 C ATOM 810 OE1 GLU A 49 87.169 -6.322 -7.236 1.00 0.00 O ATOM 811 OE2 GLU A 49 89.015 -6.961 -8.140 1.00 0.00 O ATOM 0 H GLU A 49 86.787 -2.689 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 49 89.484 -3.654 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 49 87.418 -4.801 -5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 49 87.553 -3.760 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 49 89.841 -4.668 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 49 89.722 -5.698 -5.774 1.00 0.00 H new ATOM 818 N SER A 50 89.106 -1.517 -6.822 1.00 0.00 N ATOM 819 CA SER A 50 89.934 -0.601 -7.645 1.00 0.00 C ATOM 820 C SER A 50 90.634 0.362 -6.697 1.00 0.00 C ATOM 821 O SER A 50 91.819 0.617 -6.799 1.00 0.00 O ATOM 822 CB SER A 50 88.949 0.148 -8.535 1.00 0.00 C ATOM 823 OG SER A 50 88.267 -0.781 -9.363 1.00 0.00 O ATOM 0 H SER A 50 88.101 -1.479 -6.990 1.00 0.00 H new ATOM 0 HA SER A 50 90.686 -1.113 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 50 88.235 0.700 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 50 89.477 0.879 -9.147 1.00 0.00 H new ATOM 0 HG SER A 50 87.631 -0.303 -9.936 1.00 0.00 H new ATOM 829 N TYR A 51 89.903 0.870 -5.741 1.00 0.00 N ATOM 830 CA TYR A 51 90.515 1.791 -4.752 1.00 0.00 C ATOM 831 C TYR A 51 91.622 1.045 -3.982 1.00 0.00 C ATOM 832 O TYR A 51 92.587 1.634 -3.535 1.00 0.00 O ATOM 833 CB TYR A 51 89.363 2.190 -3.825 1.00 0.00 C ATOM 834 CG TYR A 51 89.832 3.254 -2.870 1.00 0.00 C ATOM 835 CD1 TYR A 51 90.178 4.512 -3.368 1.00 0.00 C ATOM 836 CD2 TYR A 51 89.914 2.998 -1.494 1.00 0.00 C ATOM 837 CE1 TYR A 51 90.603 5.517 -2.500 1.00 0.00 C ATOM 838 CE2 TYR A 51 90.342 4.006 -0.622 1.00 0.00 C ATOM 839 CZ TYR A 51 90.686 5.268 -1.125 1.00 0.00 C ATOM 840 OH TYR A 51 91.101 6.266 -0.266 1.00 0.00 O ATOM 0 H TYR A 51 88.909 0.684 -5.606 1.00 0.00 H new ATOM 0 HA TYR A 51 90.978 2.667 -5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 51 88.521 2.558 -4.411 1.00 0.00 H new ATOM 0 HB3 TYR A 51 89.010 1.320 -3.272 1.00 0.00 H new ATOM 0 HD1 TYR A 51 90.116 4.707 -4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 51 89.648 2.025 -1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 51 90.869 6.489 -2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.407 3.811 0.438 1.00 0.00 H new ATOM 0 HH TYR A 51 91.101 5.927 0.654 1.00 0.00 H new ATOM 850 N CYS A 52 91.476 -0.252 -3.821 1.00 0.00 N ATOM 851 CA CYS A 52 92.502 -1.057 -3.076 1.00 0.00 C ATOM 852 C CYS A 52 93.756 -1.298 -3.932 1.00 0.00 C ATOM 853 O CYS A 52 94.817 -0.802 -3.639 1.00 0.00 O ATOM 854 CB CYS A 52 91.825 -2.403 -2.785 1.00 0.00 C ATOM 855 SG CYS A 52 90.553 -2.209 -1.509 1.00 0.00 S ATOM 0 H CYS A 52 90.686 -0.790 -4.176 1.00 0.00 H new ATOM 0 HA CYS A 52 92.824 -0.537 -2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 52 91.377 -2.796 -3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 52 92.570 -3.128 -2.457 1.00 0.00 H new ATOM 0 HG CYS A 52 90.938 -1.318 -0.645 1.00 0.00 H new ATOM 861 N GLN A 53 93.635 -2.068 -4.985 1.00 0.00 N ATOM 862 CA GLN A 53 94.821 -2.365 -5.856 1.00 0.00 C ATOM 863 C GLN A 53 95.417 -1.080 -6.425 1.00 0.00 C ATOM 864 O GLN A 53 96.619 -0.915 -6.495 1.00 0.00 O ATOM 865 CB GLN A 53 94.258 -3.210 -7.003 1.00 0.00 C ATOM 866 CG GLN A 53 93.865 -4.594 -6.486 1.00 0.00 C ATOM 867 CD GLN A 53 93.209 -5.398 -7.615 1.00 0.00 C ATOM 868 OE1 GLN A 53 92.119 -5.078 -8.049 1.00 0.00 O ATOM 869 NE2 GLN A 53 93.832 -6.430 -8.118 1.00 0.00 N ATOM 0 H GLN A 53 92.763 -2.507 -5.282 1.00 0.00 H new ATOM 0 HA GLN A 53 95.611 -2.868 -5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 53 93.390 -2.715 -7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 53 95.001 -3.306 -7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 53 94.746 -5.119 -6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 53 93.176 -4.498 -5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 53 94.746 -6.700 -7.756 1.00 0.00 H new ATOM 0 HE22 GLN A 53 93.404 -6.966 -8.873 1.00 0.00 H new ATOM 878 N ARG A 54 94.588 -0.179 -6.847 1.00 0.00 N ATOM 879 CA ARG A 54 95.101 1.089 -7.430 1.00 0.00 C ATOM 880 C ARG A 54 95.932 1.878 -6.407 1.00 0.00 C ATOM 881 O ARG A 54 96.891 2.535 -6.759 1.00 0.00 O ATOM 882 CB ARG A 54 93.853 1.883 -7.805 1.00 0.00 C ATOM 883 CG ARG A 54 94.255 3.103 -8.643 1.00 0.00 C ATOM 884 CD ARG A 54 94.465 2.681 -10.106 1.00 0.00 C ATOM 885 NE ARG A 54 94.832 3.936 -10.833 1.00 0.00 N ATOM 886 CZ ARG A 54 93.922 4.841 -11.103 1.00 0.00 C ATOM 887 NH1 ARG A 54 92.660 4.595 -10.880 1.00 0.00 N ATOM 888 NH2 ARG A 54 94.278 5.998 -11.599 1.00 0.00 N ATOM 0 H ARG A 54 93.572 -0.262 -6.815 1.00 0.00 H new ATOM 0 HA ARG A 54 95.753 0.899 -8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 54 93.164 1.253 -8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 54 93.329 2.204 -6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 54 93.481 3.868 -8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 54 95.170 3.543 -8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 54 95.254 1.933 -10.190 1.00 0.00 H new ATOM 0 HD3 ARG A 54 93.560 2.237 -10.521 1.00 0.00 H new ATOM 0 HE ARG A 54 95.798 4.089 -11.121 1.00 0.00 H new ATOM 0 HH11 ARG A 54 92.376 3.695 -10.494 1.00 0.00 H new ATOM 0 HH12 ARG A 54 91.957 5.303 -11.092 1.00 0.00 H new ATOM 0 HH21 ARG A 54 95.263 6.196 -11.776 1.00 0.00 H new ATOM 0 HH22 ARG A 54 93.571 6.702 -11.809 1.00 0.00 H new ATOM 902 N GLN A 55 95.557 1.855 -5.150 1.00 0.00 N ATOM 903 CA GLN A 55 96.325 2.653 -4.141 1.00 0.00 C ATOM 904 C GLN A 55 96.908 1.778 -3.009 1.00 0.00 C ATOM 905 O GLN A 55 97.558 2.277 -2.111 1.00 0.00 O ATOM 906 CB GLN A 55 95.304 3.660 -3.590 1.00 0.00 C ATOM 907 CG GLN A 55 94.979 4.709 -4.666 1.00 0.00 C ATOM 908 CD GLN A 55 93.877 5.648 -4.160 1.00 0.00 C ATOM 909 OE1 GLN A 55 92.697 5.622 -4.724 1.00 0.00 O flip ATOM 910 NE2 GLN A 55 94.096 6.424 -3.248 1.00 0.00 N flip ATOM 0 H GLN A 55 94.765 1.327 -4.783 1.00 0.00 H new ATOM 0 HA GLN A 55 97.192 3.134 -4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 55 94.394 3.142 -3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 55 95.703 4.148 -2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 55 95.874 5.282 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.656 4.215 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 55 95.015 6.446 -2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 55 93.360 7.052 -2.925 1.00 0.00 H new ATOM 919 N GLY A 56 96.692 0.488 -3.038 1.00 0.00 N ATOM 920 CA GLY A 56 97.244 -0.398 -1.960 1.00 0.00 C ATOM 921 C GLY A 56 96.137 -1.319 -1.428 1.00 0.00 C ATOM 922 O GLY A 56 95.193 -0.877 -0.805 1.00 0.00 O ATOM 0 H GLY A 56 96.157 0.006 -3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 56 98.068 -0.994 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 56 97.647 0.208 -1.149 1.00 0.00 H new ATOM 926 N VAL A 57 96.245 -2.595 -1.682 1.00 0.00 N ATOM 927 CA VAL A 57 95.198 -3.550 -1.213 1.00 0.00 C ATOM 928 C VAL A 57 95.178 -3.653 0.322 1.00 0.00 C ATOM 929 O VAL A 57 96.199 -3.516 0.968 1.00 0.00 O ATOM 930 CB VAL A 57 95.589 -4.881 -1.849 1.00 0.00 C ATOM 931 CG1 VAL A 57 95.502 -4.741 -3.363 1.00 0.00 C ATOM 932 CG2 VAL A 57 97.025 -5.230 -1.473 1.00 0.00 C ATOM 0 H VAL A 57 97.017 -3.020 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 57 94.195 -3.232 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 57 94.919 -5.665 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 57 95.779 -5.685 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 57 94.482 -4.480 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 57 96.183 -3.957 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 57 97.300 -6.181 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 57 97.695 -4.449 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 57 97.108 -5.310 -0.389 1.00 0.00 H new ATOM 942 N PRO A 58 93.997 -3.883 0.857 1.00 0.00 N ATOM 943 CA PRO A 58 93.808 -3.994 2.328 1.00 0.00 C ATOM 944 C PRO A 58 94.503 -5.244 2.878 1.00 0.00 C ATOM 945 O PRO A 58 94.505 -5.492 4.067 1.00 0.00 O ATOM 946 CB PRO A 58 92.291 -4.160 2.463 1.00 0.00 C ATOM 947 CG PRO A 58 91.667 -4.194 1.058 1.00 0.00 C ATOM 948 CD PRO A 58 92.784 -4.036 0.018 1.00 0.00 C ATOM 0 HA PRO A 58 94.218 -3.143 2.871 1.00 0.00 H new ATOM 0 HB2 PRO A 58 92.059 -5.079 3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 58 91.872 -3.337 3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 58 91.137 -5.134 0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 58 90.935 -3.394 0.950 1.00 0.00 H new ATOM 0 HD2 PRO A 58 92.852 -4.905 -0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 58 92.622 -3.168 -0.620 1.00 0.00 H new ATOM 956 N MET A 59 95.042 -6.057 2.017 1.00 0.00 N ATOM 957 CA MET A 59 95.683 -7.326 2.477 1.00 0.00 C ATOM 958 C MET A 59 96.654 -7.091 3.631 1.00 0.00 C ATOM 959 O MET A 59 96.844 -7.951 4.468 1.00 0.00 O ATOM 960 CB MET A 59 96.455 -7.836 1.265 1.00 0.00 C ATOM 961 CG MET A 59 95.476 -8.150 0.139 1.00 0.00 C ATOM 962 SD MET A 59 96.363 -8.917 -1.238 1.00 0.00 S ATOM 963 CE MET A 59 96.455 -10.589 -0.553 1.00 0.00 C ATOM 0 H MET A 59 95.068 -5.900 1.009 1.00 0.00 H new ATOM 0 HA MET A 59 94.933 -8.029 2.841 1.00 0.00 H new ATOM 0 HB2 MET A 59 97.176 -7.087 0.937 1.00 0.00 H new ATOM 0 HB3 MET A 59 97.021 -8.729 1.530 1.00 0.00 H new ATOM 0 HG2 MET A 59 94.694 -8.819 0.499 1.00 0.00 H new ATOM 0 HG3 MET A 59 94.985 -7.236 -0.195 1.00 0.00 H new ATOM 0 HE1 MET A 59 97.493 -10.923 -0.547 1.00 0.00 H new ATOM 0 HE2 MET A 59 96.068 -10.586 0.466 1.00 0.00 H new ATOM 0 HE3 MET A 59 95.860 -11.266 -1.165 1.00 0.00 H new ATOM 973 N ASN A 60 97.276 -5.955 3.691 1.00 0.00 N ATOM 974 CA ASN A 60 98.232 -5.723 4.811 1.00 0.00 C ATOM 975 C ASN A 60 98.461 -4.228 5.081 1.00 0.00 C ATOM 976 O ASN A 60 99.222 -3.870 5.959 1.00 0.00 O ATOM 977 CB ASN A 60 99.533 -6.409 4.366 1.00 0.00 C ATOM 978 CG ASN A 60 100.295 -5.536 3.357 1.00 0.00 C ATOM 979 OD1 ASN A 60 99.651 -4.678 2.618 1.00 0.00 O flip ATOM 980 ND2 ASN A 60 101.500 -5.644 3.239 1.00 0.00 N flip ATOM 0 H ASN A 60 97.171 -5.186 3.029 1.00 0.00 H new ATOM 0 HA ASN A 60 97.848 -6.125 5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 60 100.163 -6.602 5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 60 99.304 -7.376 3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 60 102.011 -6.314 3.814 1.00 0.00 H new ATOM 0 HD22 ASN A 60 102.000 -5.065 2.565 1.00 0.00 H new ATOM 987 N SER A 61 97.829 -3.347 4.344 1.00 0.00 N ATOM 988 CA SER A 61 98.057 -1.892 4.591 1.00 0.00 C ATOM 989 C SER A 61 96.746 -1.137 4.840 1.00 0.00 C ATOM 990 O SER A 61 96.641 -0.357 5.764 1.00 0.00 O ATOM 991 CB SER A 61 98.713 -1.386 3.313 1.00 0.00 C ATOM 992 OG SER A 61 98.896 0.020 3.407 1.00 0.00 O ATOM 0 H SER A 61 97.175 -3.569 3.593 1.00 0.00 H new ATOM 0 HA SER A 61 98.667 -1.734 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 61 99.673 -1.880 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 61 98.091 -1.627 2.451 1.00 0.00 H new ATOM 0 HG SER A 61 99.319 0.350 2.587 1.00 0.00 H new ATOM 998 N LEU A 62 95.758 -1.328 4.012 1.00 0.00 N ATOM 999 CA LEU A 62 94.485 -0.577 4.212 1.00 0.00 C ATOM 1000 C LEU A 62 93.407 -1.449 4.877 1.00 0.00 C ATOM 1001 O LEU A 62 93.271 -2.624 4.611 1.00 0.00 O ATOM 1002 CB LEU A 62 94.044 -0.163 2.796 1.00 0.00 C ATOM 1003 CG LEU A 62 94.733 1.147 2.372 1.00 0.00 C ATOM 1004 CD1 LEU A 62 96.212 1.120 2.762 1.00 0.00 C ATOM 1005 CD2 LEU A 62 94.614 1.325 0.851 1.00 0.00 C ATOM 0 H LEU A 62 95.774 -1.963 3.214 1.00 0.00 H new ATOM 0 HA LEU A 62 94.628 0.277 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 62 94.289 -0.954 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 62 92.962 -0.035 2.770 1.00 0.00 H new ATOM 0 HG LEU A 62 94.245 1.979 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 62 96.686 2.053 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 62 96.301 1.005 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 62 96.704 0.283 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 62 95.103 2.253 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 62 95.093 0.485 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 62 93.561 1.363 0.570 1.00 0.00 H new ATOM 1017 N ARG A 63 92.616 -0.850 5.718 1.00 0.00 N ATOM 1018 CA ARG A 63 91.503 -1.585 6.389 1.00 0.00 C ATOM 1019 C ARG A 63 90.189 -0.971 5.940 1.00 0.00 C ATOM 1020 O ARG A 63 90.015 0.214 6.039 1.00 0.00 O ATOM 1021 CB ARG A 63 91.715 -1.361 7.890 1.00 0.00 C ATOM 1022 CG ARG A 63 90.461 -1.781 8.668 1.00 0.00 C ATOM 1023 CD ARG A 63 90.339 -3.301 8.680 1.00 0.00 C ATOM 1024 NE ARG A 63 91.562 -3.775 9.387 1.00 0.00 N ATOM 1025 CZ ARG A 63 91.665 -3.663 10.688 1.00 0.00 C ATOM 1026 NH1 ARG A 63 90.608 -3.431 11.420 1.00 0.00 N ATOM 1027 NH2 ARG A 63 92.833 -3.784 11.260 1.00 0.00 N ATOM 0 H ARG A 63 92.692 0.134 5.975 1.00 0.00 H new ATOM 0 HA ARG A 63 91.484 -2.648 6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 63 92.575 -1.936 8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 63 91.936 -0.311 8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 63 90.514 -1.404 9.689 1.00 0.00 H new ATOM 0 HG3 ARG A 63 89.575 -1.340 8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 63 89.434 -3.621 9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 63 90.287 -3.702 7.668 1.00 0.00 H new ATOM 0 HE ARG A 63 92.326 -4.190 8.853 1.00 0.00 H new ATOM 0 HH11 ARG A 63 89.693 -3.336 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 63 90.698 -3.345 12.432 1.00 0.00 H new ATOM 0 HH21 ARG A 63 93.662 -3.965 10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 63 92.916 -3.697 12.273 1.00 0.00 H new ATOM 1041 N PHE A 64 89.262 -1.742 5.439 1.00 0.00 N ATOM 1042 CA PHE A 64 87.986 -1.111 4.997 1.00 0.00 C ATOM 1043 C PHE A 64 86.866 -1.278 6.009 1.00 0.00 C ATOM 1044 O PHE A 64 86.412 -2.376 6.323 1.00 0.00 O ATOM 1045 CB PHE A 64 87.592 -1.754 3.670 1.00 0.00 C ATOM 1046 CG PHE A 64 88.444 -1.195 2.565 1.00 0.00 C ATOM 1047 CD1 PHE A 64 89.817 -1.448 2.536 1.00 0.00 C ATOM 1048 CD2 PHE A 64 87.852 -0.413 1.567 1.00 0.00 C ATOM 1049 CE1 PHE A 64 90.600 -0.916 1.508 1.00 0.00 C ATOM 1050 CE2 PHE A 64 88.631 0.117 0.538 1.00 0.00 C ATOM 1051 CZ PHE A 64 90.008 -0.133 0.508 1.00 0.00 C ATOM 0 H PHE A 64 89.328 -2.753 5.319 1.00 0.00 H new ATOM 0 HA PHE A 64 88.143 -0.037 4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 64 87.717 -2.835 3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 64 86.539 -1.565 3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 64 90.272 -2.053 3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 64 86.790 -0.219 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 64 91.662 -1.109 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 64 88.173 0.718 -0.233 1.00 0.00 H new ATOM 0 HZ PHE A 64 90.614 0.278 -0.286 1.00 0.00 H new ATOM 1061 N LEU A 65 86.385 -0.169 6.465 1.00 0.00 N ATOM 1062 CA LEU A 65 85.254 -0.156 7.410 1.00 0.00 C ATOM 1063 C LEU A 65 84.047 0.359 6.625 1.00 0.00 C ATOM 1064 O LEU A 65 84.166 1.289 5.850 1.00 0.00 O ATOM 1065 CB LEU A 65 85.696 0.819 8.503 1.00 0.00 C ATOM 1066 CG LEU A 65 84.705 0.795 9.660 1.00 0.00 C ATOM 1067 CD1 LEU A 65 83.419 1.497 9.230 1.00 0.00 C ATOM 1068 CD2 LEU A 65 84.398 -0.652 10.048 1.00 0.00 C ATOM 0 H LEU A 65 86.739 0.754 6.215 1.00 0.00 H new ATOM 0 HA LEU A 65 84.988 -1.118 7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 65 86.690 0.550 8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.766 1.827 8.095 1.00 0.00 H new ATOM 0 HG LEU A 65 85.134 1.309 10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 65 82.705 1.484 10.053 1.00 0.00 H new ATOM 0 HD12 LEU A 65 83.641 2.529 8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 65 82.992 0.980 8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 65 83.689 -0.664 10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 65 83.967 -1.174 9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 65 85.319 -1.150 10.352 1.00 0.00 H new ATOM 1080 N PHE A 66 82.908 -0.258 6.741 1.00 0.00 N ATOM 1081 CA PHE A 66 81.763 0.213 5.906 1.00 0.00 C ATOM 1082 C PHE A 66 80.556 0.599 6.772 1.00 0.00 C ATOM 1083 O PHE A 66 80.342 1.765 7.049 1.00 0.00 O ATOM 1084 CB PHE A 66 81.487 -0.993 5.007 1.00 0.00 C ATOM 1085 CG PHE A 66 80.722 -0.602 3.774 1.00 0.00 C ATOM 1086 CD1 PHE A 66 81.017 0.586 3.106 1.00 0.00 C ATOM 1087 CD2 PHE A 66 79.729 -1.456 3.285 1.00 0.00 C ATOM 1088 CE1 PHE A 66 80.314 0.924 1.945 1.00 0.00 C ATOM 1089 CE2 PHE A 66 79.029 -1.122 2.125 1.00 0.00 C ATOM 1090 CZ PHE A 66 79.321 0.067 1.453 1.00 0.00 C ATOM 0 H PHE A 66 82.718 -1.047 7.359 1.00 0.00 H new ATOM 0 HA PHE A 66 81.976 1.118 5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 66 82.431 -1.456 4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 66 80.922 -1.741 5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 66 81.786 1.243 3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 66 79.503 -2.375 3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 66 80.537 1.846 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 66 78.262 -1.782 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 66 78.781 0.326 0.554 1.00 0.00 H new ATOM 1100 N GLU A 67 79.777 -0.347 7.222 1.00 0.00 N ATOM 1101 CA GLU A 67 78.613 0.010 8.084 1.00 0.00 C ATOM 1102 C GLU A 67 79.125 0.454 9.454 1.00 0.00 C ATOM 1103 O GLU A 67 78.392 0.959 10.279 1.00 0.00 O ATOM 1104 CB GLU A 67 77.798 -1.277 8.212 1.00 0.00 C ATOM 1105 CG GLU A 67 78.670 -2.369 8.836 1.00 0.00 C ATOM 1106 CD GLU A 67 77.787 -3.366 9.584 1.00 0.00 C ATOM 1107 OE1 GLU A 67 76.634 -3.043 9.817 1.00 0.00 O ATOM 1108 OE2 GLU A 67 78.277 -4.431 9.914 1.00 0.00 O ATOM 0 H GLU A 67 79.894 -1.342 7.033 1.00 0.00 H new ATOM 0 HA GLU A 67 78.015 0.822 7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 67 76.917 -1.103 8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 67 77.443 -1.595 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 67 79.238 -2.882 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 67 79.393 -1.924 9.520 1.00 0.00 H new ATOM 1115 N GLY A 68 80.386 0.241 9.697 1.00 0.00 N ATOM 1116 CA GLY A 68 80.983 0.612 11.003 1.00 0.00 C ATOM 1117 C GLY A 68 81.896 -0.532 11.438 1.00 0.00 C ATOM 1118 O GLY A 68 82.730 -0.387 12.309 1.00 0.00 O ATOM 0 H GLY A 68 81.036 -0.181 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 68 81.548 1.540 10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.203 0.782 11.745 1.00 0.00 H new ATOM 1122 N GLN A 69 81.734 -1.673 10.825 1.00 0.00 N ATOM 1123 CA GLN A 69 82.560 -2.847 11.172 1.00 0.00 C ATOM 1124 C GLN A 69 83.365 -3.246 9.951 1.00 0.00 C ATOM 1125 O GLN A 69 83.028 -2.888 8.834 1.00 0.00 O ATOM 1126 CB GLN A 69 81.547 -3.944 11.487 1.00 0.00 C ATOM 1127 CG GLN A 69 80.671 -3.495 12.650 1.00 0.00 C ATOM 1128 CD GLN A 69 81.490 -3.521 13.946 1.00 0.00 C ATOM 1129 OE1 GLN A 69 82.705 -3.508 13.910 1.00 0.00 O ATOM 1130 NE2 GLN A 69 80.871 -3.556 15.097 1.00 0.00 N ATOM 0 H GLN A 69 81.050 -1.836 10.086 1.00 0.00 H new ATOM 0 HA GLN A 69 83.246 -2.662 11.999 1.00 0.00 H new ATOM 0 HB2 GLN A 69 80.932 -4.151 10.611 1.00 0.00 H new ATOM 0 HB3 GLN A 69 82.063 -4.870 11.740 1.00 0.00 H new ATOM 0 HG2 GLN A 69 80.292 -2.490 12.467 1.00 0.00 H new ATOM 0 HG3 GLN A 69 79.805 -4.150 12.741 1.00 0.00 H new ATOM 0 HE21 GLN A 69 79.852 -3.567 15.128 1.00 0.00 H new ATOM 0 HE22 GLN A 69 81.408 -3.572 15.964 1.00 0.00 H new ATOM 1139 N ARG A 70 84.404 -3.993 10.123 1.00 0.00 N ATOM 1140 CA ARG A 70 85.164 -4.406 8.929 1.00 0.00 C ATOM 1141 C ARG A 70 84.224 -5.203 8.037 1.00 0.00 C ATOM 1142 O ARG A 70 83.526 -6.085 8.498 1.00 0.00 O ATOM 1143 CB ARG A 70 86.282 -5.285 9.440 1.00 0.00 C ATOM 1144 CG ARG A 70 87.252 -5.531 8.299 1.00 0.00 C ATOM 1145 CD ARG A 70 88.443 -6.307 8.831 1.00 0.00 C ATOM 1146 NE ARG A 70 89.366 -6.417 7.677 1.00 0.00 N ATOM 1147 CZ ARG A 70 89.525 -7.563 7.079 1.00 0.00 C ATOM 1148 NH1 ARG A 70 88.720 -7.909 6.112 1.00 0.00 N ATOM 1149 NH2 ARG A 70 90.476 -8.369 7.458 1.00 0.00 N ATOM 0 H ARG A 70 84.756 -4.330 11.019 1.00 0.00 H new ATOM 0 HA ARG A 70 85.564 -3.568 8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 70 86.792 -4.805 10.275 1.00 0.00 H new ATOM 0 HB3 ARG A 70 85.884 -6.230 9.810 1.00 0.00 H new ATOM 0 HG2 ARG A 70 86.763 -6.090 7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 70 87.579 -4.584 7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 70 88.913 -5.788 9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 70 88.145 -7.290 9.195 1.00 0.00 H new ATOM 0 HE ARG A 70 89.876 -5.596 7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 70 87.968 -7.282 5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 70 88.843 -8.806 5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 70 91.096 -8.102 8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 70 90.601 -9.267 6.990 1.00 0.00 H new ATOM 1163 N ILE A 71 84.151 -4.886 6.782 1.00 0.00 N ATOM 1164 CA ILE A 71 83.184 -5.636 5.925 1.00 0.00 C ATOM 1165 C ILE A 71 83.832 -6.569 4.906 1.00 0.00 C ATOM 1166 O ILE A 71 85.037 -6.701 4.812 1.00 0.00 O ATOM 1167 CB ILE A 71 82.338 -4.568 5.235 1.00 0.00 C ATOM 1168 CG1 ILE A 71 83.195 -3.623 4.371 1.00 0.00 C ATOM 1169 CG2 ILE A 71 81.650 -3.739 6.314 1.00 0.00 C ATOM 1170 CD1 ILE A 71 84.008 -4.393 3.331 1.00 0.00 C ATOM 0 H ILE A 71 84.698 -4.163 6.316 1.00 0.00 H new ATOM 0 HA ILE A 71 82.594 -6.308 6.547 1.00 0.00 H new ATOM 0 HB ILE A 71 81.621 -5.066 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 71 82.549 -2.903 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 71 83.869 -3.054 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 71 81.039 -2.968 5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 71 81.016 -4.386 6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 71 82.403 -3.270 6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 71 84.600 -3.693 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 71 84.672 -5.095 3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 71 83.333 -4.941 2.674 1.00 0.00 H new ATOM 1182 N ALA A 72 82.990 -7.214 4.141 1.00 0.00 N ATOM 1183 CA ALA A 72 83.450 -8.158 3.092 1.00 0.00 C ATOM 1184 C ALA A 72 83.083 -7.593 1.720 1.00 0.00 C ATOM 1185 O ALA A 72 82.506 -6.531 1.611 1.00 0.00 O ATOM 1186 CB ALA A 72 82.670 -9.443 3.365 1.00 0.00 C ATOM 0 H ALA A 72 81.976 -7.119 4.206 1.00 0.00 H new ATOM 0 HA ALA A 72 84.527 -8.325 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 72 82.949 -10.200 2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 72 82.903 -9.804 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 72 81.601 -9.243 3.291 1.00 0.00 H new ATOM 1192 N ASP A 73 83.418 -8.281 0.675 1.00 0.00 N ATOM 1193 CA ASP A 73 83.106 -7.777 -0.677 1.00 0.00 C ATOM 1194 C ASP A 73 82.148 -8.736 -1.396 1.00 0.00 C ATOM 1195 O ASP A 73 82.200 -8.884 -2.602 1.00 0.00 O ATOM 1196 CB ASP A 73 84.482 -7.727 -1.339 1.00 0.00 C ATOM 1197 CG ASP A 73 85.075 -9.135 -1.416 1.00 0.00 C ATOM 1198 OD1 ASP A 73 84.323 -10.083 -1.265 1.00 0.00 O ATOM 1199 OD2 ASP A 73 86.273 -9.240 -1.625 1.00 0.00 O ATOM 0 H ASP A 73 83.899 -9.180 0.701 1.00 0.00 H new ATOM 0 HA ASP A 73 82.601 -6.811 -0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.398 -7.303 -2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 73 85.145 -7.074 -0.771 1.00 0.00 H new ATOM 1204 N ASN A 74 81.289 -9.415 -0.663 1.00 0.00 N ATOM 1205 CA ASN A 74 80.361 -10.383 -1.331 1.00 0.00 C ATOM 1206 C ASN A 74 78.879 -10.182 -0.958 1.00 0.00 C ATOM 1207 O ASN A 74 78.051 -11.011 -1.278 1.00 0.00 O ATOM 1208 CB ASN A 74 80.850 -11.766 -0.892 1.00 0.00 C ATOM 1209 CG ASN A 74 80.510 -12.065 0.584 1.00 0.00 C ATOM 1210 OD1 ASN A 74 80.037 -11.134 1.375 1.00 0.00 O flip ATOM 1211 ND2 ASN A 74 80.691 -13.180 1.030 1.00 0.00 N flip ATOM 0 H ASN A 74 81.193 -9.341 0.350 1.00 0.00 H new ATOM 0 HA ASN A 74 80.386 -10.243 -2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 74 80.399 -12.528 -1.528 1.00 0.00 H new ATOM 0 HB3 ASN A 74 81.929 -11.830 -1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 74 81.059 -13.917 0.428 1.00 0.00 H new ATOM 0 HD22 ASN A 74 80.475 -13.380 2.007 1.00 0.00 H new ATOM 1218 N HIS A 75 78.518 -9.114 -0.296 1.00 0.00 N ATOM 1219 CA HIS A 75 77.070 -8.943 0.049 1.00 0.00 C ATOM 1220 C HIS A 75 76.480 -7.718 -0.638 1.00 0.00 C ATOM 1221 O HIS A 75 76.956 -6.607 -0.493 1.00 0.00 O ATOM 1222 CB HIS A 75 77.012 -8.770 1.560 1.00 0.00 C ATOM 1223 CG HIS A 75 77.896 -7.633 1.954 1.00 0.00 C ATOM 1224 ND1 HIS A 75 77.641 -6.303 2.167 1.00 0.00 N flip ATOM 1225 CD2 HIS A 75 79.245 -7.806 2.190 1.00 0.00 C flip ATOM 1226 CE1 HIS A 75 78.817 -5.656 2.533 1.00 0.00 C flip ATOM 1227 NE2 HIS A 75 79.752 -6.611 2.532 1.00 0.00 N flip ATOM 0 H HIS A 75 79.142 -8.369 0.015 1.00 0.00 H new ATOM 0 HA HIS A 75 76.491 -9.804 -0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 75 75.987 -8.578 1.878 1.00 0.00 H new ATOM 0 HB3 HIS A 75 77.333 -9.686 2.056 1.00 0.00 H new ATOM 0 HD2 HIS A 75 79.793 -8.734 2.113 1.00 0.00 H new ATOM 0 HE1 HIS A 75 78.946 -4.610 2.767 1.00 0.00 H new ATOM 0 HE2 HIS A 75 80.733 -6.451 2.763 1.00 0.00 H new ATOM 1235 N THR A 76 75.440 -7.931 -1.387 1.00 0.00 N ATOM 1236 CA THR A 76 74.781 -6.808 -2.101 1.00 0.00 C ATOM 1237 C THR A 76 73.497 -6.339 -1.357 1.00 0.00 C ATOM 1238 O THR A 76 73.278 -5.149 -1.215 1.00 0.00 O ATOM 1239 CB THR A 76 74.447 -7.376 -3.486 1.00 0.00 C ATOM 1240 OG1 THR A 76 75.605 -7.995 -4.028 1.00 0.00 O ATOM 1241 CG2 THR A 76 74.007 -6.244 -4.410 1.00 0.00 C ATOM 0 H THR A 76 75.013 -8.845 -1.537 1.00 0.00 H new ATOM 0 HA THR A 76 75.420 -5.927 -2.161 1.00 0.00 H new ATOM 0 HB THR A 76 73.643 -8.106 -3.395 1.00 0.00 H new ATOM 0 HG1 THR A 76 76.302 -7.320 -4.168 1.00 0.00 H new ATOM 0 HG21 THR A 76 73.770 -6.649 -5.394 1.00 0.00 H new ATOM 0 HG22 THR A 76 73.124 -5.758 -3.995 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.812 -5.515 -4.502 1.00 0.00 H new ATOM 1249 N PRO A 77 72.669 -7.273 -0.914 1.00 0.00 N ATOM 1250 CA PRO A 77 71.409 -6.898 -0.215 1.00 0.00 C ATOM 1251 C PRO A 77 71.685 -6.330 1.182 1.00 0.00 C ATOM 1252 O PRO A 77 70.989 -5.459 1.665 1.00 0.00 O ATOM 1253 CB PRO A 77 70.686 -8.239 -0.082 1.00 0.00 C ATOM 1254 CG PRO A 77 71.575 -9.344 -0.678 1.00 0.00 C ATOM 1255 CD PRO A 77 72.923 -8.727 -1.064 1.00 0.00 C ATOM 0 HA PRO A 77 70.849 -6.131 -0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 77 70.473 -8.450 0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 77 69.728 -8.204 -0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 77 71.719 -10.146 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 77 71.096 -9.785 -1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 77 73.726 -9.068 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 77 73.210 -8.985 -2.083 1.00 0.00 H new ATOM 1263 N LYS A 78 72.669 -6.859 1.849 1.00 0.00 N ATOM 1264 CA LYS A 78 72.974 -6.411 3.237 1.00 0.00 C ATOM 1265 C LYS A 78 73.224 -4.895 3.298 1.00 0.00 C ATOM 1266 O LYS A 78 72.359 -4.141 3.700 1.00 0.00 O ATOM 1267 CB LYS A 78 74.226 -7.211 3.595 1.00 0.00 C ATOM 1268 CG LYS A 78 74.592 -7.009 5.065 1.00 0.00 C ATOM 1269 CD LYS A 78 75.822 -7.857 5.401 1.00 0.00 C ATOM 1270 CE LYS A 78 76.235 -7.621 6.856 1.00 0.00 C ATOM 1271 NZ LYS A 78 74.957 -7.565 7.618 1.00 0.00 N ATOM 0 H LYS A 78 73.282 -7.590 1.490 1.00 0.00 H new ATOM 0 HA LYS A 78 72.152 -6.582 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 78 74.056 -8.270 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 78 75.057 -6.899 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 78 74.798 -5.956 5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 78 73.755 -7.293 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 78 75.601 -8.913 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 78 76.645 -7.600 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 78 76.876 -8.425 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 78 76.797 -6.693 6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 75.145 -7.745 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 74.529 -6.624 7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 74.303 -8.287 7.253 1.00 0.00 H new ATOM 1285 N GLU A 79 74.392 -4.439 2.938 1.00 0.00 N ATOM 1286 CA GLU A 79 74.665 -2.971 3.013 1.00 0.00 C ATOM 1287 C GLU A 79 74.940 -2.389 1.632 1.00 0.00 C ATOM 1288 O GLU A 79 75.507 -1.321 1.506 1.00 0.00 O ATOM 1289 CB GLU A 79 75.923 -2.854 3.863 1.00 0.00 C ATOM 1290 CG GLU A 79 75.655 -3.419 5.251 1.00 0.00 C ATOM 1291 CD GLU A 79 76.987 -3.619 5.966 1.00 0.00 C ATOM 1292 OE1 GLU A 79 77.996 -3.672 5.282 1.00 0.00 O ATOM 1293 OE2 GLU A 79 76.979 -3.714 7.178 1.00 0.00 O ATOM 0 H GLU A 79 75.165 -5.011 2.598 1.00 0.00 H new ATOM 0 HA GLU A 79 73.813 -2.430 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 79 76.744 -3.394 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 79 76.229 -1.810 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 79 75.020 -2.739 5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 79 75.121 -4.366 5.176 1.00 0.00 H new ATOM 1300 N LEU A 80 74.575 -3.078 0.593 1.00 0.00 N ATOM 1301 CA LEU A 80 74.852 -2.548 -0.767 1.00 0.00 C ATOM 1302 C LEU A 80 73.550 -2.211 -1.482 1.00 0.00 C ATOM 1303 O LEU A 80 73.494 -2.131 -2.692 1.00 0.00 O ATOM 1304 CB LEU A 80 75.615 -3.665 -1.474 1.00 0.00 C ATOM 1305 CG LEU A 80 77.089 -3.598 -1.078 1.00 0.00 C ATOM 1306 CD1 LEU A 80 77.225 -3.949 0.401 1.00 0.00 C ATOM 1307 CD2 LEU A 80 77.894 -4.597 -1.910 1.00 0.00 C ATOM 0 H LEU A 80 74.100 -3.980 0.624 1.00 0.00 H new ATOM 0 HA LEU A 80 75.429 -1.623 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 80 75.197 -4.635 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.512 -3.564 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 80 77.468 -2.592 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 80 78.275 -3.903 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 80 76.653 -3.239 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.845 -4.956 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 80 78.945 -4.546 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.518 -5.605 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 80 77.794 -4.354 -2.968 1.00 0.00 H new ATOM 1319 N GLY A 81 72.505 -1.991 -0.738 1.00 0.00 N ATOM 1320 CA GLY A 81 71.213 -1.628 -1.374 1.00 0.00 C ATOM 1321 C GLY A 81 71.193 -0.115 -1.601 1.00 0.00 C ATOM 1322 O GLY A 81 70.174 0.466 -1.917 1.00 0.00 O ATOM 0 H GLY A 81 72.490 -2.047 0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 81 71.096 -2.155 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 81 70.380 -1.927 -0.738 1.00 0.00 H new ATOM 1326 N MET A 82 72.322 0.528 -1.438 1.00 0.00 N ATOM 1327 CA MET A 82 72.383 1.999 -1.642 1.00 0.00 C ATOM 1328 C MET A 82 72.646 2.298 -3.123 1.00 0.00 C ATOM 1329 O MET A 82 73.533 1.733 -3.730 1.00 0.00 O ATOM 1330 CB MET A 82 73.565 2.460 -0.787 1.00 0.00 C ATOM 1331 CG MET A 82 73.291 2.160 0.688 1.00 0.00 C ATOM 1332 SD MET A 82 74.635 2.831 1.699 1.00 0.00 S ATOM 1333 CE MET A 82 73.835 2.631 3.305 1.00 0.00 C ATOM 0 H MET A 82 73.205 0.092 -1.171 1.00 0.00 H new ATOM 0 HA MET A 82 71.458 2.505 -1.366 1.00 0.00 H new ATOM 0 HB2 MET A 82 74.476 1.953 -1.107 1.00 0.00 H new ATOM 0 HB3 MET A 82 73.730 3.529 -0.925 1.00 0.00 H new ATOM 0 HG2 MET A 82 72.340 2.600 0.989 1.00 0.00 H new ATOM 0 HG3 MET A 82 73.208 1.084 0.842 1.00 0.00 H new ATOM 0 HE1 MET A 82 74.501 2.989 4.090 1.00 0.00 H new ATOM 0 HE2 MET A 82 72.909 3.206 3.324 1.00 0.00 H new ATOM 0 HE3 MET A 82 73.612 1.577 3.471 1.00 0.00 H new ATOM 1343 N GLU A 83 71.882 3.178 -3.708 1.00 0.00 N ATOM 1344 CA GLU A 83 72.090 3.507 -5.152 1.00 0.00 C ATOM 1345 C GLU A 83 72.655 4.921 -5.327 1.00 0.00 C ATOM 1346 O GLU A 83 72.902 5.365 -6.431 1.00 0.00 O ATOM 1347 CB GLU A 83 70.706 3.405 -5.790 1.00 0.00 C ATOM 1348 CG GLU A 83 69.737 4.324 -5.051 1.00 0.00 C ATOM 1349 CD GLU A 83 69.015 3.510 -3.974 1.00 0.00 C ATOM 1350 OE1 GLU A 83 68.484 2.464 -4.309 1.00 0.00 O ATOM 1351 OE2 GLU A 83 69.016 3.941 -2.832 1.00 0.00 O ATOM 0 H GLU A 83 71.123 3.685 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 83 72.810 2.831 -5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 83 70.757 3.684 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 83 70.350 2.376 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 83 70.276 5.156 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 83 69.016 4.752 -5.748 1.00 0.00 H new ATOM 1358 N GLU A 84 72.847 5.647 -4.262 1.00 0.00 N ATOM 1359 CA GLU A 84 73.387 7.028 -4.416 1.00 0.00 C ATOM 1360 C GLU A 84 74.193 7.477 -3.184 1.00 0.00 C ATOM 1361 O GLU A 84 74.883 8.473 -3.230 1.00 0.00 O ATOM 1362 CB GLU A 84 72.153 7.909 -4.634 1.00 0.00 C ATOM 1363 CG GLU A 84 71.588 7.643 -6.036 1.00 0.00 C ATOM 1364 CD GLU A 84 70.436 8.612 -6.329 1.00 0.00 C ATOM 1365 OE1 GLU A 84 69.626 8.825 -5.444 1.00 0.00 O ATOM 1366 OE2 GLU A 84 70.387 9.126 -7.435 1.00 0.00 O ATOM 0 H GLU A 84 72.657 5.351 -3.305 1.00 0.00 H new ATOM 0 HA GLU A 84 74.090 7.093 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 84 71.399 7.693 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 84 72.419 8.961 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 84 72.373 7.762 -6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 84 71.235 6.614 -6.106 1.00 0.00 H new ATOM 1373 N GLU A 85 74.140 6.759 -2.094 1.00 0.00 N ATOM 1374 CA GLU A 85 74.930 7.173 -0.899 1.00 0.00 C ATOM 1375 C GLU A 85 75.635 5.969 -0.287 1.00 0.00 C ATOM 1376 O GLU A 85 75.021 5.141 0.350 1.00 0.00 O ATOM 1377 CB GLU A 85 73.909 7.743 0.081 1.00 0.00 C ATOM 1378 CG GLU A 85 73.347 9.050 -0.476 1.00 0.00 C ATOM 1379 CD GLU A 85 74.455 10.104 -0.530 1.00 0.00 C ATOM 1380 OE1 GLU A 85 75.501 9.867 0.052 1.00 0.00 O ATOM 1381 OE2 GLU A 85 74.240 11.129 -1.153 1.00 0.00 O ATOM 0 H GLU A 85 73.588 5.909 -1.980 1.00 0.00 H new ATOM 0 HA GLU A 85 75.701 7.900 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 85 73.103 7.027 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 85 74.377 7.919 1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 85 72.938 8.886 -1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 85 72.527 9.401 0.151 1.00 0.00 H new ATOM 1388 N ASP A 86 76.920 5.878 -0.455 1.00 0.00 N ATOM 1389 CA ASP A 86 77.666 4.738 0.139 1.00 0.00 C ATOM 1390 C ASP A 86 78.924 5.280 0.828 1.00 0.00 C ATOM 1391 O ASP A 86 79.579 6.163 0.310 1.00 0.00 O ATOM 1392 CB ASP A 86 78.023 3.834 -1.038 1.00 0.00 C ATOM 1393 CG ASP A 86 78.461 2.482 -0.491 1.00 0.00 C ATOM 1394 OD1 ASP A 86 78.594 2.383 0.716 1.00 0.00 O ATOM 1395 OD2 ASP A 86 78.653 1.573 -1.282 1.00 0.00 O ATOM 0 H ASP A 86 77.488 6.544 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 86 77.093 4.190 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 86 77.164 3.715 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 86 78.822 4.280 -1.630 1.00 0.00 H new ATOM 1400 N VAL A 87 79.261 4.796 1.997 1.00 0.00 N ATOM 1401 CA VAL A 87 80.470 5.351 2.684 1.00 0.00 C ATOM 1402 C VAL A 87 81.417 4.273 3.214 1.00 0.00 C ATOM 1403 O VAL A 87 81.002 3.301 3.816 1.00 0.00 O ATOM 1404 CB VAL A 87 79.924 6.138 3.874 1.00 0.00 C ATOM 1405 CG1 VAL A 87 79.447 5.164 4.956 1.00 0.00 C ATOM 1406 CG2 VAL A 87 81.043 7.002 4.454 1.00 0.00 C ATOM 0 H VAL A 87 78.766 4.058 2.497 1.00 0.00 H new ATOM 0 HA VAL A 87 81.049 5.945 1.977 1.00 0.00 H new ATOM 0 HB VAL A 87 79.093 6.763 3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 87 79.057 5.726 5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 87 78.661 4.527 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 87 80.283 4.546 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 87 80.662 7.568 5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 87 81.863 6.363 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 87 81.403 7.692 3.691 1.00 0.00 H new ATOM 1416 N ILE A 88 82.697 4.484 3.056 1.00 0.00 N ATOM 1417 CA ILE A 88 83.689 3.526 3.618 1.00 0.00 C ATOM 1418 C ILE A 88 84.787 4.291 4.354 1.00 0.00 C ATOM 1419 O ILE A 88 85.331 5.253 3.849 1.00 0.00 O ATOM 1420 CB ILE A 88 84.310 2.768 2.444 1.00 0.00 C ATOM 1421 CG1 ILE A 88 83.305 1.803 1.843 1.00 0.00 C ATOM 1422 CG2 ILE A 88 85.496 1.950 2.954 1.00 0.00 C ATOM 1423 CD1 ILE A 88 83.568 1.671 0.347 1.00 0.00 C ATOM 0 H ILE A 88 83.097 5.281 2.561 1.00 0.00 H new ATOM 0 HA ILE A 88 83.206 2.843 4.317 1.00 0.00 H new ATOM 0 HB ILE A 88 84.623 3.490 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 88 83.385 0.829 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 88 82.290 2.162 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 88 85.946 1.405 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 88 86.237 2.618 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 88 85.152 1.242 3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 88 82.848 0.978 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 88 83.466 2.647 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 88 84.578 1.293 0.187 1.00 0.00 H new ATOM 1435 N GLU A 89 85.146 3.835 5.513 1.00 0.00 N ATOM 1436 CA GLU A 89 86.248 4.479 6.268 1.00 0.00 C ATOM 1437 C GLU A 89 87.417 3.507 6.218 1.00 0.00 C ATOM 1438 O GLU A 89 87.262 2.352 6.552 1.00 0.00 O ATOM 1439 CB GLU A 89 85.748 4.619 7.709 1.00 0.00 C ATOM 1440 CG GLU A 89 84.553 5.569 7.765 1.00 0.00 C ATOM 1441 CD GLU A 89 83.959 5.550 9.176 1.00 0.00 C ATOM 1442 OE1 GLU A 89 83.831 4.469 9.729 1.00 0.00 O ATOM 1443 OE2 GLU A 89 83.638 6.615 9.677 1.00 0.00 O ATOM 0 H GLU A 89 84.718 3.033 5.976 1.00 0.00 H new ATOM 0 HA GLU A 89 86.546 5.450 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 89 85.463 3.642 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 89 86.550 4.994 8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 89 84.865 6.580 7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 89 83.800 5.268 7.037 1.00 0.00 H new ATOM 1450 N VAL A 90 88.574 3.913 5.795 1.00 0.00 N ATOM 1451 CA VAL A 90 89.670 2.911 5.749 1.00 0.00 C ATOM 1452 C VAL A 90 90.741 3.233 6.765 1.00 0.00 C ATOM 1453 O VAL A 90 91.218 4.345 6.858 1.00 0.00 O ATOM 1454 CB VAL A 90 90.289 2.914 4.345 1.00 0.00 C ATOM 1455 CG1 VAL A 90 89.993 1.596 3.644 1.00 0.00 C ATOM 1456 CG2 VAL A 90 89.731 4.040 3.511 1.00 0.00 C ATOM 0 H VAL A 90 88.807 4.858 5.489 1.00 0.00 H new ATOM 0 HA VAL A 90 89.257 1.930 5.982 1.00 0.00 H new ATOM 0 HB VAL A 90 91.365 3.049 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 90 90.436 1.606 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 90 90.416 0.774 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 90 88.914 1.463 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 90 90.186 4.020 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 90 88.651 3.922 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 90 89.952 4.993 3.992 1.00 0.00 H new ATOM 1466 N TYR A 91 91.144 2.254 7.506 1.00 0.00 N ATOM 1467 CA TYR A 91 92.216 2.488 8.500 1.00 0.00 C ATOM 1468 C TYR A 91 93.522 1.943 7.941 1.00 0.00 C ATOM 1469 O TYR A 91 93.705 0.750 7.808 1.00 0.00 O ATOM 1470 CB TYR A 91 91.792 1.707 9.744 1.00 0.00 C ATOM 1471 CG TYR A 91 90.498 2.268 10.260 1.00 0.00 C ATOM 1472 CD1 TYR A 91 90.490 3.477 10.958 1.00 0.00 C ATOM 1473 CD2 TYR A 91 89.302 1.576 10.036 1.00 0.00 C ATOM 1474 CE1 TYR A 91 89.283 3.999 11.435 1.00 0.00 C ATOM 1475 CE2 TYR A 91 88.097 2.095 10.513 1.00 0.00 C ATOM 1476 CZ TYR A 91 88.086 3.308 11.213 1.00 0.00 C ATOM 1477 OH TYR A 91 86.896 3.824 11.683 1.00 0.00 O ATOM 0 H TYR A 91 90.780 1.302 7.469 1.00 0.00 H new ATOM 0 HA TYR A 91 92.363 3.543 8.731 1.00 0.00 H new ATOM 0 HB2 TYR A 91 91.674 0.651 9.503 1.00 0.00 H new ATOM 0 HB3 TYR A 91 92.563 1.774 10.511 1.00 0.00 H new ATOM 0 HD1 TYR A 91 91.414 4.009 11.129 1.00 0.00 H new ATOM 0 HD2 TYR A 91 89.311 0.641 9.495 1.00 0.00 H new ATOM 0 HE1 TYR A 91 89.275 4.935 11.974 1.00 0.00 H new ATOM 0 HE2 TYR A 91 87.174 1.561 10.342 1.00 0.00 H new ATOM 0 HH TYR A 91 86.161 3.222 11.443 1.00 0.00 H new ATOM 1487 N GLN A 92 94.430 2.807 7.602 1.00 0.00 N ATOM 1488 CA GLN A 92 95.718 2.327 7.043 1.00 0.00 C ATOM 1489 C GLN A 92 96.754 2.221 8.165 1.00 0.00 C ATOM 1490 O GLN A 92 97.019 3.175 8.869 1.00 0.00 O ATOM 1491 CB GLN A 92 96.132 3.384 6.016 1.00 0.00 C ATOM 1492 CG GLN A 92 95.075 3.512 4.917 1.00 0.00 C ATOM 1493 CD GLN A 92 95.634 4.403 3.803 1.00 0.00 C ATOM 1494 OE1 GLN A 92 96.571 5.139 4.023 1.00 0.00 O ATOM 1495 NE2 GLN A 92 95.100 4.373 2.612 1.00 0.00 N ATOM 0 H GLN A 92 94.338 3.819 7.687 1.00 0.00 H new ATOM 0 HA GLN A 92 95.635 1.341 6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 92 96.268 4.346 6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 92 97.092 3.114 5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 92 94.819 2.529 4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 92 94.159 3.942 5.322 1.00 0.00 H new ATOM 0 HE21 GLN A 92 94.311 3.755 2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 92 95.472 4.968 1.871 1.00 0.00 H new