USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 608 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 29 GLN : amide:sc= 2.77 K(o=8,f=-5.3!) USER MOD Set 1.2: A 32 SER OG : rot 29:sc= 0.798 USER MOD Set 1.3: A 51 TYR OH : rot -81:sc= 1.2 USER MOD Set 1.4: A 55 GLN : amide:sc= 2.21 K(o=8,f=1.7) USER MOD Set 1.5: A 92 GLN : amide:sc= 1.04 K(o=8,f=-5.3) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 169:sc= 1.33 (180deg=0) USER MOD Set 2.2: A 74 ASN : amide:sc= 1.01 K(o=2.3,f=-7.9!) USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0.717 USER MOD Set 3.2: A 37 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0.109) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -145:sc= 1.25 (180deg=0.434) USER MOD Single : A 31 SER OG : rot -39:sc= 1.01 USER MOD Single : A 35 HIS : no HD1:sc= -0.233 K(o=-0.23,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -179:sc= -0.787 (180deg=-0.789) USER MOD Single : A 41 THR OG1 : rot -62:sc= 1.1 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 43 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.087) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= 0.805 (180deg=-2.41!) USER MOD Single : A 50 SER OG : rot 75:sc= 1.24 USER MOD Single : A 52 CYS SG : rot 76:sc= 0.24 USER MOD Single : A 53 GLN : amide:sc= 0.58 K(o=0.58,f=-1.2) USER MOD Single : A 59 MET CE :methyl -163:sc= 0 (180deg=-0.00769) USER MOD Single : A 60 ASN : amide:sc= 0.0946 X(o=0.095,f=-0.15) USER MOD Single : A 61 SER OG : rot -70:sc= 0.428 USER MOD Single : A 69 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.023) USER MOD Single : A 75 HIS : no HD1:sc= 0.209 K(o=0.21,f=-3.1!) USER MOD Single : A 76 THR OG1 : rot 158:sc= 1.22 USER MOD Single : A 78 LYS NZ :NH3+ -160:sc= 1.28 (180deg=0.676) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -83:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 81.101 9.370 -12.243 1.00 0.00 N ATOM 291 CA TYR A 21 80.542 8.077 -11.850 1.00 0.00 C ATOM 292 C TYR A 21 79.399 8.247 -10.842 1.00 0.00 C ATOM 293 O TYR A 21 79.365 9.217 -10.082 1.00 0.00 O ATOM 294 CB TYR A 21 81.645 7.179 -11.265 1.00 0.00 C ATOM 295 CG TYR A 21 82.574 7.877 -10.288 1.00 0.00 C ATOM 296 CD1 TYR A 21 82.125 8.280 -9.037 1.00 0.00 C ATOM 297 CD2 TYR A 21 83.903 8.121 -10.616 1.00 0.00 C ATOM 298 CE1 TYR A 21 82.968 8.907 -8.142 1.00 0.00 C ATOM 299 CE2 TYR A 21 84.754 8.747 -9.724 1.00 0.00 C ATOM 300 CZ TYR A 21 84.280 9.137 -8.489 1.00 0.00 C ATOM 301 OH TYR A 21 85.123 9.759 -7.593 1.00 0.00 O ATOM 0 HA TYR A 21 80.132 7.601 -12.741 1.00 0.00 H new ATOM 0 HB2 TYR A 21 81.178 6.333 -10.761 1.00 0.00 H new ATOM 0 HB3 TYR A 21 82.238 6.774 -12.085 1.00 0.00 H new ATOM 0 HD1 TYR A 21 81.097 8.099 -8.759 1.00 0.00 H new ATOM 0 HD2 TYR A 21 84.276 7.817 -11.583 1.00 0.00 H new ATOM 0 HE1 TYR A 21 82.600 9.216 -7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 21 85.784 8.930 -9.993 1.00 0.00 H new ATOM 0 HH TYR A 21 86.015 9.846 -7.989 1.00 0.00 H new ATOM 311 N ILE A 22 78.456 7.310 -10.847 1.00 0.00 N ATOM 312 CA ILE A 22 77.326 7.356 -9.924 1.00 0.00 C ATOM 313 C ILE A 22 77.487 6.321 -8.807 1.00 0.00 C ATOM 314 O ILE A 22 78.233 5.349 -8.946 1.00 0.00 O ATOM 315 CB ILE A 22 75.980 7.123 -10.648 1.00 0.00 C ATOM 316 CG1 ILE A 22 75.987 5.788 -11.399 1.00 0.00 C ATOM 317 CG2 ILE A 22 75.684 8.270 -11.604 1.00 0.00 C ATOM 318 CD1 ILE A 22 74.778 4.926 -11.112 1.00 0.00 C ATOM 0 H ILE A 22 78.451 6.510 -11.479 1.00 0.00 H new ATOM 0 HA ILE A 22 77.316 8.356 -9.491 1.00 0.00 H new ATOM 0 HB ILE A 22 75.192 7.085 -9.896 1.00 0.00 H new ATOM 0 HG12 ILE A 22 76.038 5.983 -12.470 1.00 0.00 H new ATOM 0 HG13 ILE A 22 76.888 5.236 -11.133 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.733 8.090 -12.105 1.00 0.00 H new ATOM 0 HG22 ILE A 22 75.628 9.204 -11.045 1.00 0.00 H new ATOM 0 HG23 ILE A 22 76.478 8.339 -12.347 1.00 0.00 H new ATOM 0 HD11 ILE A 22 74.851 3.997 -11.678 1.00 0.00 H new ATOM 0 HD12 ILE A 22 74.737 4.700 -10.047 1.00 0.00 H new ATOM 0 HD13 ILE A 22 73.873 5.459 -11.405 1.00 0.00 H new ATOM 330 N LYS A 23 76.786 6.538 -7.701 1.00 0.00 N ATOM 331 CA LYS A 23 76.855 5.625 -6.559 1.00 0.00 C ATOM 332 C LYS A 23 75.846 4.485 -6.697 1.00 0.00 C ATOM 333 O LYS A 23 74.649 4.672 -6.482 1.00 0.00 O ATOM 334 CB LYS A 23 76.609 6.386 -5.252 1.00 0.00 C ATOM 335 CG LYS A 23 77.386 7.691 -5.143 1.00 0.00 C ATOM 336 CD LYS A 23 78.408 7.638 -4.018 1.00 0.00 C ATOM 337 CE LYS A 23 79.085 8.985 -3.816 1.00 0.00 C ATOM 338 NZ LYS A 23 78.388 9.812 -2.792 1.00 0.00 N ATOM 0 H LYS A 23 76.164 7.335 -7.567 1.00 0.00 H new ATOM 0 HA LYS A 23 77.856 5.193 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 23 75.544 6.600 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.877 5.744 -4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 23 77.892 7.894 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 23 76.694 8.515 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 23 77.917 7.334 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 23 79.160 6.882 -4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 23 80.120 8.829 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 23 79.109 9.524 -4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 78.882 10.721 -2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 77.407 9.984 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 78.388 9.309 -1.881 1.00 0.00 H new ATOM 352 N LEU A 24 76.341 3.303 -7.050 1.00 0.00 N ATOM 353 CA LEU A 24 75.485 2.132 -7.220 1.00 0.00 C ATOM 354 C LEU A 24 75.383 1.332 -5.921 1.00 0.00 C ATOM 355 O LEU A 24 76.367 1.175 -5.196 1.00 0.00 O ATOM 356 CB LEU A 24 76.031 1.239 -8.338 1.00 0.00 C ATOM 357 CG LEU A 24 75.094 1.048 -9.531 1.00 0.00 C ATOM 358 CD1 LEU A 24 75.829 1.311 -10.836 1.00 0.00 C ATOM 359 CD2 LEU A 24 74.503 -0.353 -9.524 1.00 0.00 C ATOM 0 H LEU A 24 77.331 3.130 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 24 74.487 2.479 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.968 1.664 -8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 24 76.265 0.260 -7.919 1.00 0.00 H new ATOM 0 HG LEU A 24 74.279 1.766 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.146 1.170 -11.673 1.00 0.00 H new ATOM 0 HD12 LEU A 24 76.204 2.334 -10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.665 0.617 -10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 24 73.839 -0.472 -10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 24 75.306 -1.087 -9.584 1.00 0.00 H new ATOM 0 HD23 LEU A 24 73.940 -0.506 -8.603 1.00 0.00 H new ATOM 371 N LYS A 25 74.186 0.827 -5.633 1.00 0.00 N ATOM 372 CA LYS A 25 73.955 0.050 -4.419 1.00 0.00 C ATOM 373 C LYS A 25 73.384 -1.333 -4.736 1.00 0.00 C ATOM 374 O LYS A 25 72.357 -1.454 -5.398 1.00 0.00 O ATOM 375 CB LYS A 25 73.004 0.800 -3.482 1.00 0.00 C ATOM 376 CG LYS A 25 72.848 0.149 -2.116 1.00 0.00 C ATOM 377 CD LYS A 25 71.595 0.630 -1.403 1.00 0.00 C ATOM 378 CE LYS A 25 71.932 1.483 -0.190 1.00 0.00 C ATOM 379 NZ LYS A 25 70.824 1.500 0.804 1.00 0.00 N ATOM 0 H LYS A 25 73.362 0.942 -6.223 1.00 0.00 H new ATOM 0 HA LYS A 25 74.918 -0.086 -3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 25 73.368 1.819 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 25 72.024 0.871 -3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 25 72.808 -0.934 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 25 73.723 0.372 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 25 70.981 1.207 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 25 71.001 -0.229 -1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 25 72.837 1.101 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 25 72.146 2.502 -0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 70.777 2.436 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 69.923 1.302 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 70.997 0.774 1.529 1.00 0.00 H new ATOM 393 N VAL A 26 74.060 -2.371 -4.260 1.00 0.00 N ATOM 394 CA VAL A 26 73.608 -3.743 -4.477 1.00 0.00 C ATOM 395 C VAL A 26 73.356 -4.433 -3.131 1.00 0.00 C ATOM 396 O VAL A 26 74.189 -4.367 -2.225 1.00 0.00 O ATOM 397 CB VAL A 26 74.629 -4.559 -5.309 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.257 -6.034 -5.348 1.00 0.00 C ATOM 399 CG2 VAL A 26 74.733 -4.003 -6.722 1.00 0.00 C ATOM 0 H VAL A 26 74.923 -2.291 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 26 72.678 -3.700 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 26 75.601 -4.469 -4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 26 74.993 -6.579 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 26 74.240 -6.432 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.272 -6.149 -5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.455 -4.589 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 26 73.758 -4.057 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.061 -2.964 -6.681 1.00 0.00 H new ATOM 409 N ILE A 27 72.202 -5.087 -3.006 1.00 0.00 N ATOM 410 CA ILE A 27 71.848 -5.776 -1.764 1.00 0.00 C ATOM 411 C ILE A 27 72.197 -7.264 -1.844 1.00 0.00 C ATOM 412 O ILE A 27 71.671 -7.995 -2.687 1.00 0.00 O ATOM 413 CB ILE A 27 70.341 -5.609 -1.423 1.00 0.00 C ATOM 414 CG1 ILE A 27 69.991 -4.134 -1.177 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.966 -6.447 -0.207 1.00 0.00 C ATOM 416 CD1 ILE A 27 70.926 -3.431 -0.216 1.00 0.00 C ATOM 0 H ILE A 27 71.500 -5.155 -3.743 1.00 0.00 H new ATOM 0 HA ILE A 27 72.432 -5.315 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 27 69.766 -5.960 -2.280 1.00 0.00 H new ATOM 0 HG12 ILE A 27 70.001 -3.605 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 27 68.974 -4.072 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.907 -6.315 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.165 -7.498 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.558 -6.128 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 27 70.612 -2.394 -0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 27 70.899 -3.933 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 27 71.942 -3.459 -0.611 1.00 0.00 H new ATOM 428 N GLY A 28 73.099 -7.699 -0.964 1.00 0.00 N ATOM 429 CA GLY A 28 73.521 -9.091 -0.947 1.00 0.00 C ATOM 430 C GLY A 28 72.527 -10.026 -0.275 1.00 0.00 C ATOM 431 O GLY A 28 71.524 -9.585 0.290 1.00 0.00 O ATOM 0 H GLY A 28 73.546 -7.110 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 28 73.683 -9.424 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.479 -9.164 -0.433 1.00 0.00 H new ATOM 435 N GLN A 29 72.830 -11.323 -0.317 1.00 0.00 N ATOM 436 CA GLN A 29 71.965 -12.352 0.275 1.00 0.00 C ATOM 437 C GLN A 29 71.830 -12.191 1.794 1.00 0.00 C ATOM 438 O GLN A 29 70.757 -12.402 2.356 1.00 0.00 O ATOM 439 CB GLN A 29 72.480 -13.773 -0.044 1.00 0.00 C ATOM 440 CG GLN A 29 73.929 -13.854 -0.525 1.00 0.00 C ATOM 441 CD GLN A 29 74.943 -13.577 0.573 1.00 0.00 C ATOM 442 OE1 GLN A 29 75.206 -12.426 0.919 1.00 0.00 O ATOM 443 NE2 GLN A 29 75.520 -14.628 1.132 1.00 0.00 N ATOM 0 H GLN A 29 73.673 -11.691 -0.757 1.00 0.00 H new ATOM 0 HA GLN A 29 70.981 -12.217 -0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 29 72.377 -14.387 0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 29 71.837 -14.211 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 29 74.113 -14.846 -0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 29 74.076 -13.139 -1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 29 75.278 -15.569 0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 29 76.207 -14.498 1.875 1.00 0.00 H new ATOM 452 N ASP A 30 72.922 -11.813 2.454 1.00 0.00 N ATOM 453 CA ASP A 30 72.921 -11.628 3.905 1.00 0.00 C ATOM 454 C ASP A 30 72.565 -10.187 4.295 1.00 0.00 C ATOM 455 O ASP A 30 72.974 -9.711 5.355 1.00 0.00 O ATOM 456 CB ASP A 30 74.291 -12.004 4.478 1.00 0.00 C ATOM 457 CG ASP A 30 74.186 -12.779 5.778 1.00 0.00 C ATOM 458 OD1 ASP A 30 73.128 -13.397 6.018 1.00 0.00 O ATOM 459 OD2 ASP A 30 75.165 -12.773 6.553 1.00 0.00 O ATOM 0 H ASP A 30 73.820 -11.628 2.008 1.00 0.00 H new ATOM 0 HA ASP A 30 72.156 -12.282 4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 30 74.836 -12.601 3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 30 74.872 -11.097 4.646 1.00 0.00 H new ATOM 464 N SER A 31 71.811 -9.505 3.427 1.00 0.00 N ATOM 465 CA SER A 31 71.389 -8.115 3.660 1.00 0.00 C ATOM 466 C SER A 31 72.589 -7.163 3.737 1.00 0.00 C ATOM 467 O SER A 31 72.548 -6.139 4.427 1.00 0.00 O ATOM 468 CB SER A 31 70.540 -8.011 4.936 1.00 0.00 C ATOM 469 OG SER A 31 70.077 -6.686 5.137 1.00 0.00 O ATOM 0 H SER A 31 71.476 -9.896 2.547 1.00 0.00 H new ATOM 0 HA SER A 31 70.780 -7.813 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.690 -8.690 4.867 1.00 0.00 H new ATOM 0 HB3 SER A 31 71.131 -8.327 5.796 1.00 0.00 H new ATOM 0 HG SER A 31 70.783 -6.052 4.891 1.00 0.00 H new ATOM 475 N SER A 32 73.654 -7.499 3.016 1.00 0.00 N ATOM 476 CA SER A 32 74.862 -6.677 2.999 1.00 0.00 C ATOM 477 C SER A 32 74.755 -5.570 1.953 1.00 0.00 C ATOM 478 O SER A 32 74.649 -5.844 0.754 1.00 0.00 O ATOM 479 CB SER A 32 76.092 -7.543 2.711 1.00 0.00 C ATOM 480 OG SER A 32 76.024 -8.112 1.414 1.00 0.00 O ATOM 0 H SER A 32 73.706 -8.336 2.435 1.00 0.00 H new ATOM 0 HA SER A 32 74.969 -6.217 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.995 -6.939 2.799 1.00 0.00 H new ATOM 0 HB3 SER A 32 76.165 -8.336 3.456 1.00 0.00 H new ATOM 0 HG SER A 32 75.509 -7.522 0.825 1.00 0.00 H new ATOM 486 N GLU A 33 74.781 -4.323 2.412 1.00 0.00 N ATOM 487 CA GLU A 33 74.683 -3.172 1.516 1.00 0.00 C ATOM 488 C GLU A 33 76.062 -2.748 1.011 1.00 0.00 C ATOM 489 O GLU A 33 76.872 -2.209 1.768 1.00 0.00 O ATOM 490 CB GLU A 33 74.012 -1.994 2.231 1.00 0.00 C ATOM 491 CG GLU A 33 72.625 -2.308 2.771 1.00 0.00 C ATOM 492 CD GLU A 33 71.975 -1.111 3.440 1.00 0.00 C ATOM 493 OE1 GLU A 33 72.162 -0.941 4.662 1.00 0.00 O ATOM 494 OE2 GLU A 33 71.281 -0.343 2.738 1.00 0.00 O ATOM 0 H GLU A 33 74.869 -4.082 3.399 1.00 0.00 H new ATOM 0 HA GLU A 33 74.076 -3.467 0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.648 -1.673 3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 33 73.940 -1.155 1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.990 -2.652 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.695 -3.127 3.487 1.00 0.00 H new ATOM 501 N ILE A 34 76.328 -2.990 -0.269 1.00 0.00 N ATOM 502 CA ILE A 34 77.612 -2.624 -0.863 1.00 0.00 C ATOM 503 C ILE A 34 77.451 -1.457 -1.842 1.00 0.00 C ATOM 504 O ILE A 34 76.620 -1.505 -2.751 1.00 0.00 O ATOM 505 CB ILE A 34 78.268 -3.819 -1.597 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.204 -5.090 -0.736 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.710 -3.495 -1.968 1.00 0.00 C ATOM 508 CD1 ILE A 34 79.026 -5.020 0.534 1.00 0.00 C ATOM 0 H ILE A 34 75.675 -3.436 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 34 78.262 -2.322 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 34 77.710 -4.002 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 34 77.164 -5.285 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 34 78.546 -5.936 -1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.154 -4.347 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 34 79.730 -2.624 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.279 -3.281 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 34 78.927 -5.956 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 34 80.074 -4.857 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 34 78.670 -4.196 1.153 1.00 0.00 H new ATOM 520 N HIS A 35 78.248 -0.410 -1.643 1.00 0.00 N ATOM 521 CA HIS A 35 78.198 0.772 -2.502 1.00 0.00 C ATOM 522 C HIS A 35 79.447 0.873 -3.376 1.00 0.00 C ATOM 523 O HIS A 35 80.571 0.817 -2.876 1.00 0.00 O ATOM 524 CB HIS A 35 78.057 2.039 -1.654 1.00 0.00 C ATOM 525 CG HIS A 35 76.727 2.713 -1.800 1.00 0.00 C ATOM 526 ND1 HIS A 35 76.482 3.703 -2.725 1.00 0.00 N ATOM 527 CD2 HIS A 35 75.564 2.533 -1.130 1.00 0.00 C ATOM 528 CE1 HIS A 35 75.228 4.106 -2.618 1.00 0.00 C ATOM 529 NE2 HIS A 35 74.649 3.412 -1.658 1.00 0.00 N ATOM 0 H HIS A 35 78.938 -0.355 -0.893 1.00 0.00 H new ATOM 0 HA HIS A 35 77.329 0.675 -3.153 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.213 1.784 -0.606 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.843 2.741 -1.931 1.00 0.00 H new ATOM 0 HD2 HIS A 35 75.388 1.830 -0.330 1.00 0.00 H new ATOM 0 HE1 HIS A 35 74.758 4.873 -3.215 1.00 0.00 H new ATOM 0 HE2 HIS A 35 73.680 3.511 -1.356 1.00 0.00 H new ATOM 537 N PHE A 36 79.243 1.028 -4.680 1.00 0.00 N ATOM 538 CA PHE A 36 80.358 1.134 -5.619 1.00 0.00 C ATOM 539 C PHE A 36 80.160 2.300 -6.588 1.00 0.00 C ATOM 540 O PHE A 36 79.035 2.611 -6.983 1.00 0.00 O ATOM 541 CB PHE A 36 80.521 -0.171 -6.400 1.00 0.00 C ATOM 542 CG PHE A 36 81.796 -0.901 -6.089 1.00 0.00 C ATOM 543 CD1 PHE A 36 81.851 -1.814 -5.048 1.00 0.00 C ATOM 544 CD2 PHE A 36 82.941 -0.670 -6.834 1.00 0.00 C ATOM 545 CE1 PHE A 36 83.023 -2.484 -4.756 1.00 0.00 C ATOM 546 CE2 PHE A 36 84.116 -1.339 -6.549 1.00 0.00 C ATOM 547 CZ PHE A 36 84.158 -2.247 -5.508 1.00 0.00 C ATOM 0 H PHE A 36 78.320 1.083 -5.111 1.00 0.00 H new ATOM 0 HA PHE A 36 81.263 1.322 -5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.676 -0.824 -6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.488 0.047 -7.467 1.00 0.00 H new ATOM 0 HD1 PHE A 36 80.967 -2.004 -4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 36 82.915 0.041 -7.647 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.052 -3.192 -3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 36 85.001 -1.152 -7.139 1.00 0.00 H new ATOM 0 HZ PHE A 36 85.076 -2.770 -5.283 1.00 0.00 H new ATOM 557 N LYS A 37 81.259 2.940 -6.970 1.00 0.00 N ATOM 558 CA LYS A 37 81.207 4.073 -7.894 1.00 0.00 C ATOM 559 C LYS A 37 81.506 3.627 -9.328 1.00 0.00 C ATOM 560 O LYS A 37 82.657 3.373 -9.686 1.00 0.00 O ATOM 561 CB LYS A 37 82.192 5.169 -7.466 1.00 0.00 C ATOM 562 CG LYS A 37 83.405 4.658 -6.701 1.00 0.00 C ATOM 563 CD LYS A 37 84.518 5.695 -6.657 1.00 0.00 C ATOM 564 CE LYS A 37 84.364 6.631 -5.467 1.00 0.00 C ATOM 565 NZ LYS A 37 85.342 7.755 -5.512 1.00 0.00 N ATOM 0 H LYS A 37 82.198 2.696 -6.656 1.00 0.00 H new ATOM 0 HA LYS A 37 80.196 4.480 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 37 82.535 5.700 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.664 5.893 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 37 83.111 4.396 -5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 37 83.775 3.747 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 37 85.483 5.192 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 37 84.513 6.275 -7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 37 83.351 7.032 -5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 37 84.500 6.069 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 85.261 8.321 -4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 86.306 7.373 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 85.142 8.357 -6.336 1.00 0.00 H new ATOM 579 N VAL A 38 80.459 3.534 -10.143 1.00 0.00 N ATOM 580 CA VAL A 38 80.602 3.114 -11.542 1.00 0.00 C ATOM 581 C VAL A 38 79.710 3.947 -12.463 1.00 0.00 C ATOM 582 O VAL A 38 79.099 4.923 -12.037 1.00 0.00 O ATOM 583 CB VAL A 38 80.266 1.615 -11.740 1.00 0.00 C ATOM 584 CG1 VAL A 38 81.535 0.812 -11.992 1.00 0.00 C ATOM 585 CG2 VAL A 38 79.504 1.052 -10.546 1.00 0.00 C ATOM 0 H VAL A 38 79.501 3.743 -9.863 1.00 0.00 H new ATOM 0 HA VAL A 38 81.648 3.273 -11.802 1.00 0.00 H new ATOM 0 HB VAL A 38 79.621 1.532 -12.614 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.280 -0.239 -12.129 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.029 1.185 -12.889 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.206 0.914 -11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 38 79.284 -0.002 -10.718 1.00 0.00 H new ATOM 0 HG22 VAL A 38 80.111 1.154 -9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 38 78.571 1.601 -10.418 1.00 0.00 H new ATOM 595 N LYS A 39 79.642 3.561 -13.734 1.00 0.00 N ATOM 596 CA LYS A 39 78.822 4.280 -14.708 1.00 0.00 C ATOM 597 C LYS A 39 77.536 3.514 -15.022 1.00 0.00 C ATOM 598 O LYS A 39 77.430 2.319 -14.751 1.00 0.00 O ATOM 599 CB LYS A 39 79.616 4.522 -15.994 1.00 0.00 C ATOM 600 CG LYS A 39 79.968 5.983 -16.228 1.00 0.00 C ATOM 601 CD LYS A 39 81.449 6.159 -16.521 1.00 0.00 C ATOM 602 CE LYS A 39 81.863 7.619 -16.441 1.00 0.00 C ATOM 603 NZ LYS A 39 83.227 7.845 -16.996 1.00 0.00 N ATOM 0 H LYS A 39 80.142 2.757 -14.114 1.00 0.00 H new ATOM 0 HA LYS A 39 78.547 5.240 -14.271 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.535 3.937 -15.959 1.00 0.00 H new ATOM 0 HB3 LYS A 39 79.037 4.156 -16.842 1.00 0.00 H new ATOM 0 HG2 LYS A 39 79.383 6.370 -17.062 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.698 6.569 -15.349 1.00 0.00 H new ATOM 0 HD2 LYS A 39 82.033 5.575 -15.810 1.00 0.00 H new ATOM 0 HD3 LYS A 39 81.673 5.770 -17.514 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.144 8.230 -16.987 1.00 0.00 H new ATOM 0 HE3 LYS A 39 81.836 7.947 -15.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.469 8.854 -16.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.918 7.282 -16.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 83.247 7.557 -17.995 1.00 0.00 H new ATOM 617 N MET A 40 76.561 4.213 -15.597 1.00 0.00 N ATOM 618 CA MET A 40 75.279 3.599 -15.950 1.00 0.00 C ATOM 619 C MET A 40 75.339 2.906 -17.319 1.00 0.00 C ATOM 620 O MET A 40 74.558 1.995 -17.594 1.00 0.00 O ATOM 621 CB MET A 40 74.171 4.656 -15.953 1.00 0.00 C ATOM 622 CG MET A 40 73.350 4.683 -14.672 1.00 0.00 C ATOM 623 SD MET A 40 71.632 5.173 -14.950 1.00 0.00 S ATOM 624 CE MET A 40 71.001 3.805 -15.927 1.00 0.00 C ATOM 0 H MET A 40 76.632 5.204 -15.829 1.00 0.00 H new ATOM 0 HA MET A 40 75.059 2.841 -15.198 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.618 5.638 -16.109 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.506 4.471 -16.797 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.371 3.695 -14.212 1.00 0.00 H new ATOM 0 HG3 MET A 40 73.810 5.374 -13.966 1.00 0.00 H new ATOM 0 HE1 MET A 40 69.957 3.990 -16.181 1.00 0.00 H new ATOM 0 HE2 MET A 40 71.586 3.711 -16.842 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.076 2.882 -15.352 1.00 0.00 H new ATOM 634 N THR A 41 76.266 3.337 -18.180 1.00 0.00 N ATOM 635 CA THR A 41 76.407 2.746 -19.512 1.00 0.00 C ATOM 636 C THR A 41 77.550 1.717 -19.554 1.00 0.00 C ATOM 637 O THR A 41 78.482 1.823 -20.355 1.00 0.00 O ATOM 638 CB THR A 41 76.627 3.837 -20.589 1.00 0.00 C ATOM 639 OG1 THR A 41 76.977 3.241 -21.845 1.00 0.00 O ATOM 640 CG2 THR A 41 77.716 4.820 -20.168 1.00 0.00 C ATOM 0 H THR A 41 76.926 4.089 -17.979 1.00 0.00 H new ATOM 0 HA THR A 41 75.475 2.227 -19.733 1.00 0.00 H new ATOM 0 HB THR A 41 75.690 4.384 -20.698 1.00 0.00 H new ATOM 0 HG1 THR A 41 77.821 2.752 -21.751 1.00 0.00 H new ATOM 0 HG21 THR A 41 77.846 5.573 -20.945 1.00 0.00 H new ATOM 0 HG22 THR A 41 77.427 5.306 -19.236 1.00 0.00 H new ATOM 0 HG23 THR A 41 78.654 4.284 -20.022 1.00 0.00 H new ATOM 648 N THR A 42 77.469 0.711 -18.686 1.00 0.00 N ATOM 649 CA THR A 42 78.496 -0.332 -18.622 1.00 0.00 C ATOM 650 C THR A 42 77.877 -1.728 -18.541 1.00 0.00 C ATOM 651 O THR A 42 76.707 -1.880 -18.183 1.00 0.00 O ATOM 652 CB THR A 42 79.450 -0.125 -17.423 1.00 0.00 C ATOM 653 OG1 THR A 42 80.575 -1.009 -17.533 1.00 0.00 O ATOM 654 CG2 THR A 42 78.741 -0.367 -16.098 1.00 0.00 C ATOM 0 H THR A 42 76.707 0.594 -18.019 1.00 0.00 H new ATOM 0 HA THR A 42 79.071 -0.253 -19.545 1.00 0.00 H new ATOM 0 HB THR A 42 79.790 0.910 -17.444 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.175 -0.871 -16.771 1.00 0.00 H new ATOM 0 HG21 THR A 42 79.441 -0.213 -15.277 1.00 0.00 H new ATOM 0 HG22 THR A 42 77.907 0.328 -15.999 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.366 -1.390 -16.068 1.00 0.00 H new ATOM 662 N HIS A 43 78.667 -2.743 -18.887 1.00 0.00 N ATOM 663 CA HIS A 43 78.208 -4.134 -18.853 1.00 0.00 C ATOM 664 C HIS A 43 77.999 -4.607 -17.412 1.00 0.00 C ATOM 665 O HIS A 43 78.671 -4.134 -16.493 1.00 0.00 O ATOM 666 CB HIS A 43 79.217 -5.039 -19.560 1.00 0.00 C ATOM 667 CG HIS A 43 78.900 -5.287 -21.005 1.00 0.00 C ATOM 668 ND1 HIS A 43 79.719 -6.015 -21.841 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.846 -4.898 -21.766 1.00 0.00 C ATOM 670 CE1 HIS A 43 79.188 -6.063 -23.048 1.00 0.00 C ATOM 671 NE2 HIS A 43 78.050 -5.392 -23.030 1.00 0.00 N ATOM 0 H HIS A 43 79.632 -2.629 -19.196 1.00 0.00 H new ATOM 0 HA HIS A 43 77.252 -4.189 -19.373 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.207 -4.590 -19.487 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.261 -5.995 -19.038 1.00 0.00 H new ATOM 0 HD2 HIS A 43 77.003 -4.309 -21.438 1.00 0.00 H new ATOM 0 HE1 HIS A 43 79.612 -6.565 -23.905 1.00 0.00 H new ATOM 0 HE2 HIS A 43 77.425 -5.262 -23.826 1.00 0.00 H new ATOM 679 N LEU A 44 77.088 -5.562 -17.218 1.00 0.00 N ATOM 680 CA LEU A 44 76.791 -6.070 -15.876 1.00 0.00 C ATOM 681 C LEU A 44 77.946 -6.883 -15.262 1.00 0.00 C ATOM 682 O LEU A 44 77.938 -7.151 -14.059 1.00 0.00 O ATOM 683 CB LEU A 44 75.505 -6.896 -15.901 1.00 0.00 C ATOM 684 CG LEU A 44 74.272 -6.203 -15.307 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.398 -6.083 -13.797 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.061 -4.831 -15.932 1.00 0.00 C ATOM 0 H LEU A 44 76.547 -5.997 -17.965 1.00 0.00 H new ATOM 0 HA LEU A 44 76.657 -5.200 -15.233 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.287 -7.168 -16.934 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.678 -7.824 -15.357 1.00 0.00 H new ATOM 0 HG LEU A 44 73.401 -6.818 -15.535 1.00 0.00 H new ATOM 0 HD11 LEU A 44 73.513 -5.589 -13.396 1.00 0.00 H new ATOM 0 HD12 LEU A 44 74.488 -7.077 -13.359 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.284 -5.497 -13.551 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.180 -4.362 -15.492 1.00 0.00 H new ATOM 0 HD22 LEU A 44 74.935 -4.208 -15.745 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.916 -4.939 -17.007 1.00 0.00 H new ATOM 698 N LYS A 45 78.925 -7.289 -16.079 1.00 0.00 N ATOM 699 CA LYS A 45 80.074 -8.057 -15.589 1.00 0.00 C ATOM 700 C LYS A 45 80.840 -7.288 -14.506 1.00 0.00 C ATOM 701 O LYS A 45 81.216 -7.854 -13.481 1.00 0.00 O ATOM 702 CB LYS A 45 81.019 -8.391 -16.747 1.00 0.00 C ATOM 703 CG LYS A 45 80.387 -9.259 -17.823 1.00 0.00 C ATOM 704 CD LYS A 45 80.490 -8.621 -19.201 1.00 0.00 C ATOM 705 CE LYS A 45 81.567 -9.282 -20.048 1.00 0.00 C ATOM 706 NZ LYS A 45 80.992 -10.242 -21.032 1.00 0.00 N ATOM 0 H LYS A 45 78.944 -7.099 -17.081 1.00 0.00 H new ATOM 0 HA LYS A 45 79.693 -8.979 -15.150 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.366 -7.462 -17.200 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.898 -8.901 -16.351 1.00 0.00 H new ATOM 0 HG2 LYS A 45 80.876 -10.233 -17.837 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.338 -9.432 -17.580 1.00 0.00 H new ATOM 0 HD2 LYS A 45 79.529 -8.697 -19.710 1.00 0.00 H new ATOM 0 HD3 LYS A 45 80.711 -7.559 -19.095 1.00 0.00 H new ATOM 0 HE2 LYS A 45 82.133 -8.516 -20.577 1.00 0.00 H new ATOM 0 HE3 LYS A 45 82.269 -9.805 -19.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 81.728 -10.529 -21.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 80.636 -11.081 -20.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 80.210 -9.787 -21.544 1.00 0.00 H new ATOM 720 N LYS A 46 81.052 -5.993 -14.739 1.00 0.00 N ATOM 721 CA LYS A 46 81.772 -5.141 -13.788 1.00 0.00 C ATOM 722 C LYS A 46 80.946 -4.892 -12.522 1.00 0.00 C ATOM 723 O LYS A 46 81.498 -4.675 -11.442 1.00 0.00 O ATOM 724 CB LYS A 46 82.130 -3.806 -14.446 1.00 0.00 C ATOM 725 CG LYS A 46 83.608 -3.454 -14.355 1.00 0.00 C ATOM 726 CD LYS A 46 83.848 -2.289 -13.408 1.00 0.00 C ATOM 727 CE LYS A 46 85.323 -1.940 -13.319 1.00 0.00 C ATOM 728 NZ LYS A 46 85.670 -1.329 -12.005 1.00 0.00 N ATOM 0 H LYS A 46 80.735 -5.509 -15.579 1.00 0.00 H new ATOM 0 HA LYS A 46 82.685 -5.661 -13.499 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.838 -3.839 -15.496 1.00 0.00 H new ATOM 0 HB3 LYS A 46 81.547 -3.013 -13.978 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.169 -4.323 -14.013 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.984 -3.201 -15.346 1.00 0.00 H new ATOM 0 HD2 LYS A 46 83.287 -1.419 -13.750 1.00 0.00 H new ATOM 0 HD3 LYS A 46 83.472 -2.541 -12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 46 85.919 -2.840 -13.470 1.00 0.00 H new ATOM 0 HE3 LYS A 46 85.582 -1.248 -14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 86.685 -1.105 -11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 85.120 -0.456 -11.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 85.447 -1.999 -11.241 1.00 0.00 H new ATOM 742 N LEU A 47 79.624 -4.929 -12.664 1.00 0.00 N ATOM 743 CA LEU A 47 78.718 -4.708 -11.538 1.00 0.00 C ATOM 744 C LEU A 47 78.753 -5.883 -10.556 1.00 0.00 C ATOM 745 O LEU A 47 78.961 -5.694 -9.356 1.00 0.00 O ATOM 746 CB LEU A 47 77.292 -4.497 -12.049 1.00 0.00 C ATOM 747 CG LEU A 47 76.537 -3.329 -11.415 1.00 0.00 C ATOM 748 CD1 LEU A 47 75.936 -2.437 -12.489 1.00 0.00 C ATOM 749 CD2 LEU A 47 75.455 -3.846 -10.479 1.00 0.00 C ATOM 0 H LEU A 47 79.154 -5.111 -13.551 1.00 0.00 H new ATOM 0 HA LEU A 47 79.050 -3.815 -11.008 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.329 -4.342 -13.127 1.00 0.00 H new ATOM 0 HB3 LEU A 47 76.723 -5.411 -11.878 1.00 0.00 H new ATOM 0 HG LEU A 47 77.241 -2.734 -10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 47 75.402 -1.611 -12.019 1.00 0.00 H new ATOM 0 HD12 LEU A 47 76.731 -2.042 -13.121 1.00 0.00 H new ATOM 0 HD13 LEU A 47 75.243 -3.017 -13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 47 74.925 -3.003 -10.035 1.00 0.00 H new ATOM 0 HD22 LEU A 47 74.752 -4.461 -11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 47 75.911 -4.444 -9.691 1.00 0.00 H new ATOM 761 N LYS A 48 78.555 -7.097 -11.073 1.00 0.00 N ATOM 762 CA LYS A 48 78.567 -8.299 -10.236 1.00 0.00 C ATOM 763 C LYS A 48 79.958 -8.559 -9.654 1.00 0.00 C ATOM 764 O LYS A 48 80.088 -8.928 -8.486 1.00 0.00 O ATOM 765 CB LYS A 48 78.101 -9.517 -11.041 1.00 0.00 C ATOM 766 CG LYS A 48 76.599 -9.747 -10.993 1.00 0.00 C ATOM 767 CD LYS A 48 75.938 -9.373 -12.308 1.00 0.00 C ATOM 768 CE LYS A 48 76.035 -10.501 -13.323 1.00 0.00 C ATOM 769 NZ LYS A 48 76.404 -9.998 -14.673 1.00 0.00 N ATOM 0 H LYS A 48 78.385 -7.274 -12.063 1.00 0.00 H new ATOM 0 HA LYS A 48 77.877 -8.133 -9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 48 78.407 -9.393 -12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.607 -10.405 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.397 -10.794 -10.768 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.165 -9.158 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.890 -9.129 -12.133 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.410 -8.478 -12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 48 76.777 -11.227 -12.990 1.00 0.00 H new ATOM 0 HE3 LYS A 48 75.080 -11.024 -13.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 76.996 -10.703 -15.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 75.541 -9.831 -15.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 76.933 -9.108 -14.579 1.00 0.00 H new ATOM 783 N GLU A 49 80.997 -8.342 -10.466 1.00 0.00 N ATOM 784 CA GLU A 49 82.381 -8.550 -10.029 1.00 0.00 C ATOM 785 C GLU A 49 82.767 -7.599 -8.890 1.00 0.00 C ATOM 786 O GLU A 49 83.693 -7.876 -8.127 1.00 0.00 O ATOM 787 CB GLU A 49 83.343 -8.361 -11.206 1.00 0.00 C ATOM 788 CG GLU A 49 84.270 -9.546 -11.433 1.00 0.00 C ATOM 789 CD GLU A 49 84.941 -9.507 -12.793 1.00 0.00 C ATOM 790 OE1 GLU A 49 84.369 -10.063 -13.754 1.00 0.00 O ATOM 791 OE2 GLU A 49 86.040 -8.923 -12.896 1.00 0.00 O ATOM 0 H GLU A 49 80.906 -8.022 -11.430 1.00 0.00 H new ATOM 0 HA GLU A 49 82.455 -9.571 -9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.764 -8.185 -12.113 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.944 -7.468 -11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 49 85.033 -9.560 -10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.701 -10.471 -11.338 1.00 0.00 H new ATOM 798 N SER A 50 82.052 -6.483 -8.777 1.00 0.00 N ATOM 799 CA SER A 50 82.319 -5.503 -7.727 1.00 0.00 C ATOM 800 C SER A 50 81.734 -5.970 -6.396 1.00 0.00 C ATOM 801 O SER A 50 82.376 -5.874 -5.350 1.00 0.00 O ATOM 802 CB SER A 50 81.730 -4.140 -8.105 1.00 0.00 C ATOM 803 OG SER A 50 82.411 -3.578 -9.216 1.00 0.00 O ATOM 0 H SER A 50 81.283 -6.234 -9.399 1.00 0.00 H new ATOM 0 HA SER A 50 83.399 -5.404 -7.620 1.00 0.00 H new ATOM 0 HB2 SER A 50 80.672 -4.251 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 50 81.797 -3.463 -7.253 1.00 0.00 H new ATOM 0 HG SER A 50 82.135 -4.038 -10.036 1.00 0.00 H new ATOM 809 N TYR A 51 80.508 -6.481 -6.450 1.00 0.00 N ATOM 810 CA TYR A 51 79.820 -6.985 -5.253 1.00 0.00 C ATOM 811 C TYR A 51 80.402 -8.328 -4.770 1.00 0.00 C ATOM 812 O TYR A 51 80.716 -8.481 -3.588 1.00 0.00 O ATOM 813 CB TYR A 51 78.305 -7.115 -5.518 1.00 0.00 C ATOM 814 CG TYR A 51 77.620 -8.202 -4.716 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.344 -8.031 -3.365 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.257 -9.401 -5.313 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.725 -9.028 -2.636 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.634 -10.400 -4.590 1.00 0.00 C ATOM 819 CZ TYR A 51 76.371 -10.208 -3.253 1.00 0.00 C ATOM 820 OH TYR A 51 75.755 -11.203 -2.525 1.00 0.00 O ATOM 0 H TYR A 51 79.964 -6.560 -7.309 1.00 0.00 H new ATOM 0 HA TYR A 51 79.981 -6.259 -4.456 1.00 0.00 H new ATOM 0 HB2 TYR A 51 77.827 -6.161 -5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.150 -7.311 -6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.617 -7.106 -2.878 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.465 -9.556 -6.361 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.519 -8.883 -1.586 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.355 -11.326 -5.071 1.00 0.00 H new ATOM 0 HH TYR A 51 76.429 -11.705 -2.021 1.00 0.00 H new ATOM 830 N CYS A 52 80.551 -9.295 -5.684 1.00 0.00 N ATOM 831 CA CYS A 52 81.076 -10.627 -5.331 1.00 0.00 C ATOM 832 C CYS A 52 82.476 -10.577 -4.707 1.00 0.00 C ATOM 833 O CYS A 52 82.806 -11.406 -3.856 1.00 0.00 O ATOM 834 CB CYS A 52 81.104 -11.548 -6.562 1.00 0.00 C ATOM 835 SG CYS A 52 79.494 -11.771 -7.357 1.00 0.00 S ATOM 0 H CYS A 52 80.317 -9.184 -6.671 1.00 0.00 H new ATOM 0 HA CYS A 52 80.394 -11.027 -4.580 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.804 -11.140 -7.291 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.488 -12.524 -6.263 1.00 0.00 H new ATOM 0 HG CYS A 52 79.198 -10.707 -8.043 1.00 0.00 H new ATOM 841 N GLN A 53 83.294 -9.605 -5.117 1.00 0.00 N ATOM 842 CA GLN A 53 84.658 -9.474 -4.590 1.00 0.00 C ATOM 843 C GLN A 53 84.672 -9.029 -3.119 1.00 0.00 C ATOM 844 O GLN A 53 85.668 -9.216 -2.422 1.00 0.00 O ATOM 845 CB GLN A 53 85.477 -8.502 -5.453 1.00 0.00 C ATOM 846 CG GLN A 53 85.392 -7.047 -5.011 1.00 0.00 C ATOM 847 CD GLN A 53 86.086 -6.098 -5.971 1.00 0.00 C ATOM 848 OE1 GLN A 53 86.928 -5.297 -5.571 1.00 0.00 O ATOM 849 NE2 GLN A 53 85.737 -6.177 -7.245 1.00 0.00 N ATOM 0 H GLN A 53 83.039 -8.900 -5.808 1.00 0.00 H new ATOM 0 HA GLN A 53 85.117 -10.462 -4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.521 -8.813 -5.439 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.136 -8.576 -6.486 1.00 0.00 H new ATOM 0 HG2 GLN A 53 84.344 -6.761 -4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 53 85.838 -6.946 -4.022 1.00 0.00 H new ATOM 0 HE21 GLN A 53 85.034 -6.855 -7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 53 86.171 -5.560 -7.932 1.00 0.00 H new ATOM 858 N ARG A 54 83.566 -8.447 -2.653 1.00 0.00 N ATOM 859 CA ARG A 54 83.468 -7.993 -1.265 1.00 0.00 C ATOM 860 C ARG A 54 83.258 -9.177 -0.319 1.00 0.00 C ATOM 861 O ARG A 54 83.846 -9.237 0.760 1.00 0.00 O ATOM 862 CB ARG A 54 82.324 -6.990 -1.111 1.00 0.00 C ATOM 863 CG ARG A 54 82.743 -5.679 -0.466 1.00 0.00 C ATOM 864 CD ARG A 54 83.372 -4.733 -1.478 1.00 0.00 C ATOM 865 NE ARG A 54 84.616 -4.146 -0.982 1.00 0.00 N ATOM 866 CZ ARG A 54 85.699 -3.980 -1.722 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.705 -4.329 -2.985 1.00 0.00 N ATOM 868 NH2 ARG A 54 86.780 -3.455 -1.198 1.00 0.00 N ATOM 0 H ARG A 54 82.730 -8.280 -3.213 1.00 0.00 H new ATOM 0 HA ARG A 54 84.405 -7.503 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 54 81.900 -6.782 -2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 54 81.534 -7.443 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 54 81.874 -5.202 -0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.453 -5.878 0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 54 83.570 -5.273 -2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 54 82.666 -3.938 -1.718 1.00 0.00 H new ATOM 0 HE ARG A 54 84.650 -3.847 -0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.869 -4.733 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.546 -4.196 -3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 54 86.787 -3.174 -0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.614 -3.328 -1.771 1.00 0.00 H new ATOM 882 N GLN A 55 82.408 -10.113 -0.733 1.00 0.00 N ATOM 883 CA GLN A 55 82.125 -11.307 0.067 1.00 0.00 C ATOM 884 C GLN A 55 83.200 -12.386 -0.122 1.00 0.00 C ATOM 885 O GLN A 55 83.677 -12.969 0.850 1.00 0.00 O ATOM 886 CB GLN A 55 80.748 -11.888 -0.286 1.00 0.00 C ATOM 887 CG GLN A 55 79.658 -10.845 -0.498 1.00 0.00 C ATOM 888 CD GLN A 55 78.268 -11.418 -0.312 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.788 -12.195 -1.134 1.00 0.00 O ATOM 890 NE2 GLN A 55 77.607 -11.037 0.768 1.00 0.00 N ATOM 0 H GLN A 55 81.902 -10.070 -1.618 1.00 0.00 H new ATOM 0 HA GLN A 55 82.129 -10.998 1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.842 -12.487 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.437 -12.563 0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 55 79.805 -10.022 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.746 -10.430 -1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 55 78.038 -10.390 1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 55 76.666 -11.390 0.941 1.00 0.00 H new ATOM 899 N GLY A 56 83.573 -12.654 -1.375 1.00 0.00 N ATOM 900 CA GLY A 56 84.585 -13.663 -1.650 1.00 0.00 C ATOM 901 C GLY A 56 83.999 -14.933 -2.247 1.00 0.00 C ATOM 902 O GLY A 56 84.471 -16.035 -1.967 1.00 0.00 O ATOM 0 H GLY A 56 83.193 -12.192 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.325 -13.252 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 56 85.108 -13.908 -0.726 1.00 0.00 H new ATOM 906 N VAL A 57 82.973 -14.779 -3.080 1.00 0.00 N ATOM 907 CA VAL A 57 82.320 -15.921 -3.718 1.00 0.00 C ATOM 908 C VAL A 57 82.318 -15.777 -5.243 1.00 0.00 C ATOM 909 O VAL A 57 82.277 -14.662 -5.767 1.00 0.00 O ATOM 910 CB VAL A 57 80.864 -16.107 -3.226 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.812 -17.082 -2.059 1.00 0.00 C ATOM 912 CG2 VAL A 57 80.238 -14.774 -2.838 1.00 0.00 C ATOM 0 H VAL A 57 82.575 -13.874 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 57 82.898 -16.802 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 57 80.284 -16.522 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 57 79.780 -17.199 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 57 81.203 -18.049 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 57 81.415 -16.698 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 57 79.216 -14.938 -2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.820 -14.318 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 57 80.230 -14.110 -3.703 1.00 0.00 H new ATOM 922 N PRO A 58 82.370 -16.908 -5.974 1.00 0.00 N ATOM 923 CA PRO A 58 82.370 -16.904 -7.444 1.00 0.00 C ATOM 924 C PRO A 58 81.019 -16.498 -8.037 1.00 0.00 C ATOM 925 O PRO A 58 79.979 -16.620 -7.382 1.00 0.00 O ATOM 926 CB PRO A 58 82.693 -18.355 -7.802 1.00 0.00 C ATOM 927 CG PRO A 58 82.222 -19.148 -6.631 1.00 0.00 C ATOM 928 CD PRO A 58 82.443 -18.277 -5.425 1.00 0.00 C ATOM 0 HA PRO A 58 83.079 -16.179 -7.844 1.00 0.00 H new ATOM 0 HB2 PRO A 58 82.185 -18.660 -8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 58 83.761 -18.493 -7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 58 81.169 -19.410 -6.735 1.00 0.00 H new ATOM 0 HG3 PRO A 58 82.776 -20.083 -6.544 1.00 0.00 H new ATOM 0 HD2 PRO A 58 81.682 -18.445 -4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 58 83.409 -18.472 -4.960 1.00 0.00 H new ATOM 936 N MET A 59 81.037 -16.050 -9.294 1.00 0.00 N ATOM 937 CA MET A 59 79.819 -15.617 -9.988 1.00 0.00 C ATOM 938 C MET A 59 78.981 -16.804 -10.485 1.00 0.00 C ATOM 939 O MET A 59 78.286 -16.712 -11.498 1.00 0.00 O ATOM 940 CB MET A 59 80.181 -14.704 -11.163 1.00 0.00 C ATOM 941 CG MET A 59 79.952 -13.227 -10.881 1.00 0.00 C ATOM 942 SD MET A 59 81.431 -12.233 -11.147 1.00 0.00 S ATOM 943 CE MET A 59 81.033 -11.445 -12.705 1.00 0.00 C ATOM 0 H MET A 59 81.885 -15.977 -9.856 1.00 0.00 H new ATOM 0 HA MET A 59 79.212 -15.067 -9.268 1.00 0.00 H new ATOM 0 HB2 MET A 59 81.229 -14.857 -11.422 1.00 0.00 H new ATOM 0 HB3 MET A 59 79.592 -14.995 -12.033 1.00 0.00 H new ATOM 0 HG2 MET A 59 79.151 -12.859 -11.522 1.00 0.00 H new ATOM 0 HG3 MET A 59 79.617 -13.105 -9.851 1.00 0.00 H new ATOM 0 HE1 MET A 59 81.942 -11.045 -13.153 1.00 0.00 H new ATOM 0 HE2 MET A 59 80.588 -12.176 -13.379 1.00 0.00 H new ATOM 0 HE3 MET A 59 80.326 -10.634 -12.532 1.00 0.00 H new ATOM 953 N ASN A 60 79.060 -17.919 -9.772 1.00 0.00 N ATOM 954 CA ASN A 60 78.299 -19.119 -10.113 1.00 0.00 C ATOM 955 C ASN A 60 77.703 -19.736 -8.849 1.00 0.00 C ATOM 956 O ASN A 60 77.461 -20.940 -8.777 1.00 0.00 O ATOM 957 CB ASN A 60 79.194 -20.132 -10.833 1.00 0.00 C ATOM 958 CG ASN A 60 78.816 -20.306 -12.293 1.00 0.00 C ATOM 959 OD1 ASN A 60 78.909 -21.398 -12.845 1.00 0.00 O ATOM 960 ND2 ASN A 60 78.389 -19.228 -12.934 1.00 0.00 N ATOM 0 H ASN A 60 79.649 -18.020 -8.945 1.00 0.00 H new ATOM 0 HA ASN A 60 77.486 -18.842 -10.784 1.00 0.00 H new ATOM 0 HB2 ASN A 60 80.232 -19.807 -10.766 1.00 0.00 H new ATOM 0 HB3 ASN A 60 79.128 -21.095 -10.327 1.00 0.00 H new ATOM 0 HD21 ASN A 60 78.125 -19.290 -13.917 1.00 0.00 H new ATOM 0 HD22 ASN A 60 78.324 -18.336 -12.444 1.00 0.00 H new ATOM 967 N SER A 61 77.469 -18.887 -7.851 1.00 0.00 N ATOM 968 CA SER A 61 76.911 -19.317 -6.572 1.00 0.00 C ATOM 969 C SER A 61 75.637 -18.538 -6.234 1.00 0.00 C ATOM 970 O SER A 61 74.716 -19.069 -5.608 1.00 0.00 O ATOM 971 CB SER A 61 77.949 -19.125 -5.461 1.00 0.00 C ATOM 972 OG SER A 61 78.337 -17.763 -5.354 1.00 0.00 O ATOM 0 H SER A 61 77.660 -17.887 -7.906 1.00 0.00 H new ATOM 0 HA SER A 61 76.652 -20.373 -6.651 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.536 -19.465 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.825 -19.741 -5.667 1.00 0.00 H new ATOM 0 HG SER A 61 78.870 -17.512 -6.137 1.00 0.00 H new ATOM 978 N LEU A 62 75.594 -17.276 -6.654 1.00 0.00 N ATOM 979 CA LEU A 62 74.438 -16.416 -6.407 1.00 0.00 C ATOM 980 C LEU A 62 73.932 -15.789 -7.706 1.00 0.00 C ATOM 981 O LEU A 62 74.690 -15.607 -8.658 1.00 0.00 O ATOM 982 CB LEU A 62 74.786 -15.313 -5.398 1.00 0.00 C ATOM 983 CG LEU A 62 76.280 -15.064 -5.173 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.768 -13.905 -6.031 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.554 -14.789 -3.701 1.00 0.00 C ATOM 0 H LEU A 62 76.349 -16.824 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 62 73.647 -17.039 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.328 -14.382 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.331 -15.566 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 62 76.826 -15.960 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.832 -13.745 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.605 -14.137 -7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.217 -13.001 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.620 -14.614 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.995 -13.908 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.243 -15.648 -3.106 1.00 0.00 H new ATOM 997 N ARG A 63 72.644 -15.460 -7.735 1.00 0.00 N ATOM 998 CA ARG A 63 72.032 -14.855 -8.917 1.00 0.00 C ATOM 999 C ARG A 63 71.333 -13.541 -8.568 1.00 0.00 C ATOM 1000 O ARG A 63 70.685 -13.425 -7.525 1.00 0.00 O ATOM 1001 CB ARG A 63 71.030 -15.822 -9.565 1.00 0.00 C ATOM 1002 CG ARG A 63 70.378 -16.787 -8.586 1.00 0.00 C ATOM 1003 CD ARG A 63 69.346 -17.668 -9.275 1.00 0.00 C ATOM 1004 NE ARG A 63 69.938 -18.894 -9.806 1.00 0.00 N ATOM 1005 CZ ARG A 63 69.787 -19.312 -11.053 1.00 0.00 C ATOM 1006 NH1 ARG A 63 69.061 -18.629 -11.906 1.00 0.00 N ATOM 1007 NH2 ARG A 63 70.361 -20.422 -11.450 1.00 0.00 N ATOM 0 H ARG A 63 72.003 -15.601 -6.955 1.00 0.00 H new ATOM 0 HA ARG A 63 72.831 -14.643 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.251 -15.243 -10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.542 -16.395 -10.338 1.00 0.00 H new ATOM 0 HG2 ARG A 63 71.143 -17.413 -8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 63 69.901 -16.225 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.557 -17.924 -8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 63 68.878 -17.111 -10.086 1.00 0.00 H new ATOM 0 HE ARG A 63 70.503 -19.464 -9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 63 68.605 -17.765 -11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 63 68.952 -18.962 -12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 63 70.926 -20.966 -10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 63 70.243 -20.742 -12.411 1.00 0.00 H new ATOM 1021 N LEU A 64 71.468 -12.554 -9.447 1.00 0.00 N ATOM 1022 CA LEU A 64 70.846 -11.248 -9.238 1.00 0.00 C ATOM 1023 C LEU A 64 69.536 -11.134 -10.028 1.00 0.00 C ATOM 1024 O LEU A 64 69.432 -11.629 -11.153 1.00 0.00 O ATOM 1025 CB LEU A 64 71.822 -10.125 -9.630 1.00 0.00 C ATOM 1026 CG LEU A 64 71.780 -9.684 -11.097 1.00 0.00 C ATOM 1027 CD1 LEU A 64 72.309 -8.269 -11.243 1.00 0.00 C ATOM 1028 CD2 LEU A 64 72.577 -10.644 -11.968 1.00 0.00 C ATOM 0 H LEU A 64 72.003 -12.632 -10.312 1.00 0.00 H new ATOM 0 HA LEU A 64 70.607 -11.144 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 64 71.617 -9.257 -9.004 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.835 -10.453 -9.398 1.00 0.00 H new ATOM 0 HG LEU A 64 70.742 -9.700 -11.430 1.00 0.00 H new ATOM 0 HD11 LEU A 64 72.272 -7.973 -12.291 1.00 0.00 H new ATOM 0 HD12 LEU A 64 71.696 -7.589 -10.652 1.00 0.00 H new ATOM 0 HD13 LEU A 64 73.340 -8.228 -10.891 1.00 0.00 H new ATOM 0 HD21 LEU A 64 72.535 -10.314 -13.006 1.00 0.00 H new ATOM 0 HD22 LEU A 64 73.615 -10.662 -11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 64 72.153 -11.645 -11.888 1.00 0.00 H new ATOM 1040 N LEU A 65 68.534 -10.494 -9.429 1.00 0.00 N ATOM 1041 CA LEU A 65 67.239 -10.328 -10.092 1.00 0.00 C ATOM 1042 C LEU A 65 66.634 -8.942 -9.835 1.00 0.00 C ATOM 1043 O LEU A 65 66.896 -8.310 -8.809 1.00 0.00 O ATOM 1044 CB LEU A 65 66.262 -11.478 -9.716 1.00 0.00 C ATOM 1045 CG LEU A 65 65.510 -11.426 -8.358 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.406 -10.999 -7.206 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.280 -10.533 -8.443 1.00 0.00 C ATOM 0 H LEU A 65 68.590 -10.085 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 65 67.411 -10.391 -11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 65 65.511 -11.540 -10.504 1.00 0.00 H new ATOM 0 HB3 LEU A 65 66.828 -12.409 -9.741 1.00 0.00 H new ATOM 0 HG LEU A 65 65.186 -12.445 -8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 65 65.827 -10.980 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.229 -11.706 -7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 65 66.805 -10.004 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 65 63.775 -10.517 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 65 64.583 -9.521 -8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 65 63.600 -10.921 -9.202 1.00 0.00 H new ATOM 1059 N PHE A 66 65.837 -8.470 -10.790 1.00 0.00 N ATOM 1060 CA PHE A 66 65.195 -7.159 -10.685 1.00 0.00 C ATOM 1061 C PHE A 66 63.719 -7.236 -11.077 1.00 0.00 C ATOM 1062 O PHE A 66 63.395 -7.566 -12.217 1.00 0.00 O ATOM 1063 CB PHE A 66 65.922 -6.146 -11.575 1.00 0.00 C ATOM 1064 CG PHE A 66 65.574 -4.715 -11.277 1.00 0.00 C ATOM 1065 CD1 PHE A 66 65.930 -4.137 -10.068 1.00 0.00 C ATOM 1066 CD2 PHE A 66 64.896 -3.945 -12.211 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.615 -2.819 -9.797 1.00 0.00 C ATOM 1068 CE2 PHE A 66 64.579 -2.626 -11.941 1.00 0.00 C ATOM 1069 CZ PHE A 66 64.939 -2.062 -10.735 1.00 0.00 C ATOM 0 H PHE A 66 65.619 -8.976 -11.648 1.00 0.00 H new ATOM 0 HA PHE A 66 65.254 -6.834 -9.646 1.00 0.00 H new ATOM 0 HB2 PHE A 66 66.997 -6.280 -11.458 1.00 0.00 H new ATOM 0 HB3 PHE A 66 65.686 -6.358 -12.618 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.459 -4.723 -9.331 1.00 0.00 H new ATOM 0 HD2 PHE A 66 64.613 -4.380 -13.158 1.00 0.00 H new ATOM 0 HE1 PHE A 66 65.897 -2.380 -8.851 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.049 -2.037 -12.675 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.693 -1.032 -10.524 1.00 0.00 H new ATOM 1079 N GLU A 67 62.842 -6.940 -10.109 1.00 0.00 N ATOM 1080 CA GLU A 67 61.375 -6.952 -10.296 1.00 0.00 C ATOM 1081 C GLU A 67 60.851 -8.261 -10.924 1.00 0.00 C ATOM 1082 O GLU A 67 59.805 -8.279 -11.573 1.00 0.00 O ATOM 1083 CB GLU A 67 60.910 -5.715 -11.098 1.00 0.00 C ATOM 1084 CG GLU A 67 61.072 -5.819 -12.611 1.00 0.00 C ATOM 1085 CD GLU A 67 60.720 -4.530 -13.329 1.00 0.00 C ATOM 1086 OE1 GLU A 67 59.592 -4.030 -13.138 1.00 0.00 O ATOM 1087 OE2 GLU A 67 61.577 -4.021 -14.084 1.00 0.00 O ATOM 0 H GLU A 67 63.127 -6.683 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 67 60.936 -6.902 -9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 67 59.859 -5.531 -10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 67 61.467 -4.846 -10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.102 -6.090 -12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 67 60.438 -6.623 -12.985 1.00 0.00 H new ATOM 1094 N GLY A 68 61.566 -9.363 -10.693 1.00 0.00 N ATOM 1095 CA GLY A 68 61.145 -10.650 -11.232 1.00 0.00 C ATOM 1096 C GLY A 68 61.919 -11.084 -12.470 1.00 0.00 C ATOM 1097 O GLY A 68 61.842 -12.243 -12.880 1.00 0.00 O ATOM 0 H GLY A 68 62.426 -9.388 -10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.258 -11.411 -10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.084 -10.600 -11.478 1.00 0.00 H new ATOM 1101 N GLN A 69 62.669 -10.164 -13.070 1.00 0.00 N ATOM 1102 CA GLN A 69 63.445 -10.482 -14.266 1.00 0.00 C ATOM 1103 C GLN A 69 64.905 -10.787 -13.919 1.00 0.00 C ATOM 1104 O GLN A 69 65.477 -10.207 -12.989 1.00 0.00 O ATOM 1105 CB GLN A 69 63.350 -9.336 -15.289 1.00 0.00 C ATOM 1106 CG GLN A 69 64.553 -8.401 -15.307 1.00 0.00 C ATOM 1107 CD GLN A 69 64.190 -6.988 -15.717 1.00 0.00 C ATOM 1108 OE1 GLN A 69 64.330 -6.608 -16.874 1.00 0.00 O ATOM 1109 NE2 GLN A 69 63.721 -6.200 -14.765 1.00 0.00 N ATOM 0 H GLN A 69 62.756 -9.199 -12.751 1.00 0.00 H new ATOM 0 HA GLN A 69 63.021 -11.380 -14.714 1.00 0.00 H new ATOM 0 HB2 GLN A 69 63.224 -9.764 -16.284 1.00 0.00 H new ATOM 0 HB3 GLN A 69 62.455 -8.751 -15.078 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.008 -8.382 -14.317 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.302 -8.793 -15.995 1.00 0.00 H new ATOM 0 HE21 GLN A 69 63.619 -6.554 -13.814 1.00 0.00 H new ATOM 0 HE22 GLN A 69 63.461 -5.238 -14.982 1.00 0.00 H new ATOM 1118 N ARG A 70 65.496 -11.718 -14.660 1.00 0.00 N ATOM 1119 CA ARG A 70 66.891 -12.104 -14.453 1.00 0.00 C ATOM 1120 C ARG A 70 67.828 -11.210 -15.269 1.00 0.00 C ATOM 1121 O ARG A 70 67.455 -10.697 -16.324 1.00 0.00 O ATOM 1122 CB ARG A 70 67.101 -13.579 -14.820 1.00 0.00 C ATOM 1123 CG ARG A 70 66.812 -13.908 -16.281 1.00 0.00 C ATOM 1124 CD ARG A 70 65.601 -14.821 -16.425 1.00 0.00 C ATOM 1125 NE ARG A 70 64.426 -14.302 -15.720 1.00 0.00 N ATOM 1126 CZ ARG A 70 63.332 -13.862 -16.323 1.00 0.00 C ATOM 1127 NH1 ARG A 70 63.238 -13.870 -17.630 1.00 0.00 N ATOM 1128 NH2 ARG A 70 62.327 -13.407 -15.613 1.00 0.00 N ATOM 0 H ARG A 70 65.030 -12.223 -15.414 1.00 0.00 H new ATOM 0 HA ARG A 70 67.128 -11.973 -13.397 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.131 -13.855 -14.594 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.461 -14.194 -14.187 1.00 0.00 H new ATOM 0 HG2 ARG A 70 66.639 -12.985 -16.834 1.00 0.00 H new ATOM 0 HG3 ARG A 70 67.684 -14.388 -16.725 1.00 0.00 H new ATOM 0 HD2 ARG A 70 65.364 -14.942 -17.482 1.00 0.00 H new ATOM 0 HD3 ARG A 70 65.846 -15.810 -16.038 1.00 0.00 H new ATOM 0 HE ARG A 70 64.452 -14.278 -14.701 1.00 0.00 H new ATOM 0 HH11 ARG A 70 64.013 -14.218 -18.195 1.00 0.00 H new ATOM 0 HH12 ARG A 70 62.390 -13.528 -18.082 1.00 0.00 H new ATOM 0 HH21 ARG A 70 62.387 -13.392 -14.595 1.00 0.00 H new ATOM 0 HH22 ARG A 70 61.485 -13.069 -16.079 1.00 0.00 H new ATOM 1142 N ILE A 71 69.048 -11.026 -14.776 1.00 0.00 N ATOM 1143 CA ILE A 71 70.025 -10.180 -15.462 1.00 0.00 C ATOM 1144 C ILE A 71 71.264 -10.984 -15.880 1.00 0.00 C ATOM 1145 O ILE A 71 71.797 -11.776 -15.104 1.00 0.00 O ATOM 1146 CB ILE A 71 70.448 -8.984 -14.574 1.00 0.00 C ATOM 1147 CG1 ILE A 71 69.265 -8.040 -14.332 1.00 0.00 C ATOM 1148 CG2 ILE A 71 71.594 -8.216 -15.212 1.00 0.00 C ATOM 1149 CD1 ILE A 71 68.663 -8.169 -12.951 1.00 0.00 C ATOM 0 H ILE A 71 69.385 -11.447 -13.910 1.00 0.00 H new ATOM 0 HA ILE A 71 69.543 -9.795 -16.361 1.00 0.00 H new ATOM 0 HB ILE A 71 70.782 -9.384 -13.616 1.00 0.00 H new ATOM 0 HG12 ILE A 71 69.594 -7.012 -14.481 1.00 0.00 H new ATOM 0 HG13 ILE A 71 68.494 -8.239 -15.076 1.00 0.00 H new ATOM 0 HG21 ILE A 71 71.874 -7.381 -14.570 1.00 0.00 H new ATOM 0 HG22 ILE A 71 72.450 -8.879 -15.339 1.00 0.00 H new ATOM 0 HG23 ILE A 71 71.281 -7.837 -16.185 1.00 0.00 H new ATOM 0 HD11 ILE A 71 67.831 -7.472 -12.850 1.00 0.00 H new ATOM 0 HD12 ILE A 71 68.303 -9.187 -12.805 1.00 0.00 H new ATOM 0 HD13 ILE A 71 69.421 -7.941 -12.201 1.00 0.00 H new ATOM 1161 N ALA A 72 71.701 -10.778 -17.122 1.00 0.00 N ATOM 1162 CA ALA A 72 72.871 -11.476 -17.659 1.00 0.00 C ATOM 1163 C ALA A 72 74.175 -10.681 -17.452 1.00 0.00 C ATOM 1164 O ALA A 72 74.288 -9.865 -16.539 1.00 0.00 O ATOM 1165 CB ALA A 72 72.655 -11.777 -19.136 1.00 0.00 C ATOM 0 H ALA A 72 71.262 -10.132 -17.778 1.00 0.00 H new ATOM 0 HA ALA A 72 72.982 -12.410 -17.108 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.527 -12.296 -19.533 1.00 0.00 H new ATOM 0 HB2 ALA A 72 71.773 -12.407 -19.254 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.510 -10.844 -19.680 1.00 0.00 H new ATOM 1171 N ASP A 73 75.162 -10.940 -18.313 1.00 0.00 N ATOM 1172 CA ASP A 73 76.467 -10.285 -18.240 1.00 0.00 C ATOM 1173 C ASP A 73 76.579 -9.116 -19.226 1.00 0.00 C ATOM 1174 O ASP A 73 76.953 -8.005 -18.851 1.00 0.00 O ATOM 1175 CB ASP A 73 77.569 -11.311 -18.522 1.00 0.00 C ATOM 1176 CG ASP A 73 77.901 -12.157 -17.307 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.950 -11.599 -16.190 1.00 0.00 O ATOM 1178 OD2 ASP A 73 78.106 -13.376 -17.475 1.00 0.00 O ATOM 0 H ASP A 73 75.078 -11.609 -19.079 1.00 0.00 H new ATOM 0 HA ASP A 73 76.582 -9.878 -17.235 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.255 -11.961 -19.338 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.467 -10.792 -18.856 1.00 0.00 H new ATOM 1183 N ASN A 74 76.243 -9.376 -20.492 1.00 0.00 N ATOM 1184 CA ASN A 74 76.319 -8.357 -21.546 1.00 0.00 C ATOM 1185 C ASN A 74 75.111 -7.410 -21.536 1.00 0.00 C ATOM 1186 O ASN A 74 74.750 -6.845 -22.567 1.00 0.00 O ATOM 1187 CB ASN A 74 76.447 -9.024 -22.918 1.00 0.00 C ATOM 1188 CG ASN A 74 77.725 -9.832 -23.056 1.00 0.00 C ATOM 1189 OD1 ASN A 74 78.733 -9.541 -22.416 1.00 0.00 O ATOM 1190 ND2 ASN A 74 77.691 -10.854 -23.894 1.00 0.00 N ATOM 0 H ASN A 74 75.914 -10.286 -20.814 1.00 0.00 H new ATOM 0 HA ASN A 74 77.205 -7.755 -21.344 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.589 -9.676 -23.082 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.419 -8.259 -23.694 1.00 0.00 H new ATOM 0 HD21 ASN A 74 78.521 -11.432 -24.027 1.00 0.00 H new ATOM 0 HD22 ASN A 74 76.835 -11.064 -24.408 1.00 0.00 H new ATOM 1197 N HIS A 75 74.498 -7.239 -20.371 1.00 0.00 N ATOM 1198 CA HIS A 75 73.340 -6.359 -20.231 1.00 0.00 C ATOM 1199 C HIS A 75 73.767 -4.956 -19.800 1.00 0.00 C ATOM 1200 O HIS A 75 74.865 -4.765 -19.276 1.00 0.00 O ATOM 1201 CB HIS A 75 72.364 -6.928 -19.201 1.00 0.00 C ATOM 1202 CG HIS A 75 71.205 -7.673 -19.796 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.513 -8.653 -19.116 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.605 -7.568 -21.008 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.541 -9.121 -19.880 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.576 -8.479 -21.033 1.00 0.00 N ATOM 0 H HIS A 75 74.783 -7.699 -19.506 1.00 0.00 H new ATOM 0 HA HIS A 75 72.850 -6.295 -21.203 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.907 -7.597 -18.534 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.981 -6.111 -18.590 1.00 0.00 H new ATOM 0 HD2 HIS A 75 70.884 -6.894 -21.805 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.839 -9.895 -19.608 1.00 0.00 H new ATOM 0 HE2 HIS A 75 68.941 -8.634 -21.816 1.00 0.00 H new ATOM 1214 N THR A 76 72.891 -3.983 -20.022 1.00 0.00 N ATOM 1215 CA THR A 76 73.165 -2.599 -19.643 1.00 0.00 C ATOM 1216 C THR A 76 71.988 -2.014 -18.858 1.00 0.00 C ATOM 1217 O THR A 76 70.838 -2.166 -19.269 1.00 0.00 O ATOM 1218 CB THR A 76 73.427 -1.714 -20.880 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.942 -2.365 -22.062 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.913 -1.419 -21.034 1.00 0.00 C ATOM 0 H THR A 76 71.983 -4.126 -20.463 1.00 0.00 H new ATOM 0 HA THR A 76 74.059 -2.608 -19.020 1.00 0.00 H new ATOM 0 HB THR A 76 72.898 -0.771 -20.740 1.00 0.00 H new ATOM 0 HG1 THR A 76 72.777 -1.696 -22.759 1.00 0.00 H new ATOM 0 HG21 THR A 76 75.071 -0.794 -21.913 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.274 -0.897 -20.148 1.00 0.00 H new ATOM 0 HG23 THR A 76 75.459 -2.355 -21.152 1.00 0.00 H new ATOM 1228 N PRO A 77 72.258 -1.334 -17.725 1.00 0.00 N ATOM 1229 CA PRO A 77 71.205 -0.724 -16.890 1.00 0.00 C ATOM 1230 C PRO A 77 70.322 0.254 -17.669 1.00 0.00 C ATOM 1231 O PRO A 77 69.115 0.340 -17.433 1.00 0.00 O ATOM 1232 CB PRO A 77 71.988 0.017 -15.804 1.00 0.00 C ATOM 1233 CG PRO A 77 73.311 -0.666 -15.750 1.00 0.00 C ATOM 1234 CD PRO A 77 73.600 -1.120 -17.155 1.00 0.00 C ATOM 0 HA PRO A 77 70.518 -1.476 -16.503 1.00 0.00 H new ATOM 0 HB2 PRO A 77 72.099 1.073 -16.048 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.477 -0.036 -14.843 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.086 0.012 -15.392 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.286 -1.512 -15.064 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.159 -0.369 -17.713 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.193 -2.034 -17.168 1.00 0.00 H new ATOM 1242 N LYS A 78 70.934 0.982 -18.601 1.00 0.00 N ATOM 1243 CA LYS A 78 70.216 1.949 -19.431 1.00 0.00 C ATOM 1244 C LYS A 78 69.206 1.251 -20.353 1.00 0.00 C ATOM 1245 O LYS A 78 68.138 1.791 -20.643 1.00 0.00 O ATOM 1246 CB LYS A 78 71.219 2.762 -20.257 1.00 0.00 C ATOM 1247 CG LYS A 78 70.574 3.722 -21.247 1.00 0.00 C ATOM 1248 CD LYS A 78 71.539 4.119 -22.355 1.00 0.00 C ATOM 1249 CE LYS A 78 71.802 2.966 -23.314 1.00 0.00 C ATOM 1250 NZ LYS A 78 71.029 3.104 -24.578 1.00 0.00 N ATOM 0 H LYS A 78 71.932 0.920 -18.802 1.00 0.00 H new ATOM 0 HA LYS A 78 69.658 2.619 -18.776 1.00 0.00 H new ATOM 0 HB2 LYS A 78 71.856 3.330 -19.579 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.866 2.075 -20.802 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.691 3.256 -21.683 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.236 4.615 -20.721 1.00 0.00 H new ATOM 0 HD2 LYS A 78 71.130 4.965 -22.907 1.00 0.00 H new ATOM 0 HD3 LYS A 78 72.481 4.449 -21.916 1.00 0.00 H new ATOM 0 HE2 LYS A 78 72.867 2.921 -23.543 1.00 0.00 H new ATOM 0 HE3 LYS A 78 71.540 2.025 -22.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 70.960 2.178 -25.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 70.074 3.456 -24.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 71.512 3.775 -25.209 1.00 0.00 H new ATOM 1264 N GLU A 79 69.543 0.042 -20.796 1.00 0.00 N ATOM 1265 CA GLU A 79 68.669 -0.725 -21.680 1.00 0.00 C ATOM 1266 C GLU A 79 67.649 -1.543 -20.881 1.00 0.00 C ATOM 1267 O GLU A 79 66.528 -1.764 -21.336 1.00 0.00 O ATOM 1268 CB GLU A 79 69.500 -1.652 -22.572 1.00 0.00 C ATOM 1269 CG GLU A 79 69.525 -1.234 -24.035 1.00 0.00 C ATOM 1270 CD GLU A 79 70.776 -0.457 -24.405 1.00 0.00 C ATOM 1271 OE1 GLU A 79 71.854 -0.766 -23.848 1.00 0.00 O ATOM 1272 OE2 GLU A 79 70.678 0.463 -25.247 1.00 0.00 O ATOM 0 H GLU A 79 70.416 -0.428 -20.557 1.00 0.00 H new ATOM 0 HA GLU A 79 68.123 -0.019 -22.306 1.00 0.00 H new ATOM 0 HB2 GLU A 79 70.522 -1.684 -22.195 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.102 -2.664 -22.499 1.00 0.00 H new ATOM 0 HG2 GLU A 79 69.456 -2.122 -24.663 1.00 0.00 H new ATOM 0 HG3 GLU A 79 68.648 -0.624 -24.249 1.00 0.00 H new ATOM 1279 N LEU A 80 68.049 -1.996 -19.693 1.00 0.00 N ATOM 1280 CA LEU A 80 67.166 -2.784 -18.827 1.00 0.00 C ATOM 1281 C LEU A 80 66.069 -1.927 -18.176 1.00 0.00 C ATOM 1282 O LEU A 80 65.061 -2.458 -17.708 1.00 0.00 O ATOM 1283 CB LEU A 80 67.982 -3.484 -17.736 1.00 0.00 C ATOM 1284 CG LEU A 80 68.683 -4.776 -18.167 1.00 0.00 C ATOM 1285 CD1 LEU A 80 69.322 -5.458 -16.970 1.00 0.00 C ATOM 1286 CD2 LEU A 80 67.700 -5.715 -18.853 1.00 0.00 C ATOM 0 H LEU A 80 68.979 -1.832 -19.306 1.00 0.00 H new ATOM 0 HA LEU A 80 66.677 -3.525 -19.460 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.735 -2.788 -17.366 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.320 -3.711 -16.900 1.00 0.00 H new ATOM 0 HG LEU A 80 69.468 -4.520 -18.879 1.00 0.00 H new ATOM 0 HD11 LEU A 80 69.816 -6.374 -17.294 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.056 -4.790 -16.520 1.00 0.00 H new ATOM 0 HD13 LEU A 80 68.553 -5.700 -16.236 1.00 0.00 H new ATOM 0 HD21 LEU A 80 68.216 -6.627 -19.152 1.00 0.00 H new ATOM 0 HD22 LEU A 80 66.893 -5.964 -18.164 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.286 -5.227 -19.735 1.00 0.00 H new ATOM 1298 N GLY A 81 66.264 -0.610 -18.143 1.00 0.00 N ATOM 1299 CA GLY A 81 65.272 0.271 -17.551 1.00 0.00 C ATOM 1300 C GLY A 81 65.531 0.579 -16.084 1.00 0.00 C ATOM 1301 O GLY A 81 64.595 0.678 -15.292 1.00 0.00 O ATOM 0 H GLY A 81 67.089 -0.139 -18.515 1.00 0.00 H new ATOM 0 HA2 GLY A 81 65.247 1.206 -18.111 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.287 -0.186 -17.650 1.00 0.00 H new ATOM 1305 N MET A 82 66.801 0.732 -15.718 1.00 0.00 N ATOM 1306 CA MET A 82 67.158 1.049 -14.334 1.00 0.00 C ATOM 1307 C MET A 82 67.124 2.561 -14.108 1.00 0.00 C ATOM 1308 O MET A 82 67.194 3.343 -15.056 1.00 0.00 O ATOM 1309 CB MET A 82 68.538 0.481 -13.973 1.00 0.00 C ATOM 1310 CG MET A 82 68.472 -0.896 -13.330 1.00 0.00 C ATOM 1311 SD MET A 82 69.300 -2.165 -14.309 1.00 0.00 S ATOM 1312 CE MET A 82 68.693 -3.652 -13.517 1.00 0.00 C ATOM 0 H MET A 82 67.595 0.643 -16.352 1.00 0.00 H new ATOM 0 HA MET A 82 66.422 0.581 -13.680 1.00 0.00 H new ATOM 0 HB2 MET A 82 69.147 0.424 -14.875 1.00 0.00 H new ATOM 0 HB3 MET A 82 69.040 1.169 -13.292 1.00 0.00 H new ATOM 0 HG2 MET A 82 68.927 -0.852 -12.341 1.00 0.00 H new ATOM 0 HG3 MET A 82 67.428 -1.176 -13.188 1.00 0.00 H new ATOM 0 HE1 MET A 82 69.117 -4.526 -14.011 1.00 0.00 H new ATOM 0 HE2 MET A 82 68.986 -3.651 -12.467 1.00 0.00 H new ATOM 0 HE3 MET A 82 67.606 -3.685 -13.590 1.00 0.00 H new ATOM 1322 N GLU A 83 67.023 2.969 -12.850 1.00 0.00 N ATOM 1323 CA GLU A 83 66.957 4.394 -12.521 1.00 0.00 C ATOM 1324 C GLU A 83 68.005 4.788 -11.479 1.00 0.00 C ATOM 1325 O GLU A 83 68.808 3.960 -11.059 1.00 0.00 O ATOM 1326 CB GLU A 83 65.546 4.772 -12.034 1.00 0.00 C ATOM 1327 CG GLU A 83 65.126 4.108 -10.726 1.00 0.00 C ATOM 1328 CD GLU A 83 64.688 5.113 -9.675 1.00 0.00 C ATOM 1329 OE1 GLU A 83 65.558 5.570 -8.900 1.00 0.00 O ATOM 1330 OE2 GLU A 83 63.486 5.443 -9.631 1.00 0.00 O ATOM 0 H GLU A 83 66.985 2.344 -12.045 1.00 0.00 H new ATOM 0 HA GLU A 83 67.177 4.949 -13.433 1.00 0.00 H new ATOM 0 HB2 GLU A 83 65.497 5.854 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 83 64.826 4.507 -12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 83 64.309 3.413 -10.922 1.00 0.00 H new ATOM 0 HG3 GLU A 83 65.958 3.521 -10.337 1.00 0.00 H new ATOM 1337 N GLU A 84 67.984 6.073 -11.104 1.00 0.00 N ATOM 1338 CA GLU A 84 68.911 6.663 -10.113 1.00 0.00 C ATOM 1339 C GLU A 84 69.346 5.713 -8.977 1.00 0.00 C ATOM 1340 O GLU A 84 70.541 5.580 -8.718 1.00 0.00 O ATOM 1341 CB GLU A 84 68.283 7.920 -9.502 1.00 0.00 C ATOM 1342 CG GLU A 84 68.575 9.195 -10.282 1.00 0.00 C ATOM 1343 CD GLU A 84 69.516 10.129 -9.543 1.00 0.00 C ATOM 1344 OE1 GLU A 84 70.744 10.007 -9.732 1.00 0.00 O ATOM 1345 OE2 GLU A 84 69.022 10.984 -8.778 1.00 0.00 O ATOM 0 H GLU A 84 67.317 6.746 -11.481 1.00 0.00 H new ATOM 0 HA GLU A 84 69.817 6.896 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 84 67.204 7.782 -9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 84 68.648 8.038 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 84 69.011 8.935 -11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 84 67.639 9.715 -10.485 1.00 0.00 H new ATOM 1352 N GLU A 85 68.391 5.069 -8.286 1.00 0.00 N ATOM 1353 CA GLU A 85 68.734 4.161 -7.179 1.00 0.00 C ATOM 1354 C GLU A 85 69.608 2.986 -7.643 1.00 0.00 C ATOM 1355 O GLU A 85 70.547 2.602 -6.946 1.00 0.00 O ATOM 1356 CB GLU A 85 67.464 3.632 -6.500 1.00 0.00 C ATOM 1357 CG GLU A 85 67.609 3.451 -4.996 1.00 0.00 C ATOM 1358 CD GLU A 85 66.931 4.552 -4.203 1.00 0.00 C ATOM 1359 OE1 GLU A 85 67.596 5.571 -3.916 1.00 0.00 O ATOM 1360 OE2 GLU A 85 65.737 4.397 -3.870 1.00 0.00 O ATOM 0 H GLU A 85 67.392 5.157 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 85 69.313 4.741 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 85 66.643 4.321 -6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 85 67.193 2.676 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 85 67.186 2.489 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 85 68.668 3.423 -4.738 1.00 0.00 H new ATOM 1367 N ASP A 86 69.298 2.431 -8.825 1.00 0.00 N ATOM 1368 CA ASP A 86 70.067 1.318 -9.412 1.00 0.00 C ATOM 1369 C ASP A 86 70.263 0.124 -8.456 1.00 0.00 C ATOM 1370 O ASP A 86 71.154 -0.698 -8.669 1.00 0.00 O ATOM 1371 CB ASP A 86 71.421 1.828 -9.908 1.00 0.00 C ATOM 1372 CG ASP A 86 71.502 1.888 -11.419 1.00 0.00 C ATOM 1373 OD1 ASP A 86 71.138 0.888 -12.071 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.931 2.932 -11.953 1.00 0.00 O ATOM 0 H ASP A 86 68.513 2.737 -9.399 1.00 0.00 H new ATOM 0 HA ASP A 86 69.476 0.940 -10.247 1.00 0.00 H new ATOM 0 HB2 ASP A 86 71.603 2.821 -9.498 1.00 0.00 H new ATOM 0 HB3 ASP A 86 72.210 1.178 -9.531 1.00 0.00 H new ATOM 1379 N VAL A 87 69.436 0.024 -7.417 1.00 0.00 N ATOM 1380 CA VAL A 87 69.576 -1.051 -6.434 1.00 0.00 C ATOM 1381 C VAL A 87 68.987 -2.381 -6.925 1.00 0.00 C ATOM 1382 O VAL A 87 67.803 -2.484 -7.256 1.00 0.00 O ATOM 1383 CB VAL A 87 68.934 -0.655 -5.077 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.472 -0.260 -5.247 1.00 0.00 C ATOM 1385 CG2 VAL A 87 69.070 -1.784 -4.061 1.00 0.00 C ATOM 0 H VAL A 87 68.667 0.669 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 87 70.647 -1.199 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 87 69.473 0.214 -4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 87 67.053 0.011 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 87 67.401 0.591 -5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 87 66.914 -1.100 -5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.613 -1.482 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.569 -2.675 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 87 70.126 -2.002 -3.899 1.00 0.00 H new ATOM 1395 N ILE A 88 69.848 -3.396 -6.988 1.00 0.00 N ATOM 1396 CA ILE A 88 69.455 -4.738 -7.420 1.00 0.00 C ATOM 1397 C ILE A 88 69.598 -5.732 -6.262 1.00 0.00 C ATOM 1398 O ILE A 88 70.419 -5.533 -5.364 1.00 0.00 O ATOM 1399 CB ILE A 88 70.302 -5.240 -8.621 1.00 0.00 C ATOM 1400 CG1 ILE A 88 70.810 -4.061 -9.464 1.00 0.00 C ATOM 1401 CG2 ILE A 88 69.495 -6.198 -9.488 1.00 0.00 C ATOM 1402 CD1 ILE A 88 71.803 -4.460 -10.536 1.00 0.00 C ATOM 0 H ILE A 88 70.834 -3.313 -6.742 1.00 0.00 H new ATOM 0 HA ILE A 88 68.414 -4.675 -7.738 1.00 0.00 H new ATOM 0 HB ILE A 88 71.164 -5.775 -8.222 1.00 0.00 H new ATOM 0 HG12 ILE A 88 69.959 -3.570 -9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.276 -3.329 -8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 88 70.108 -6.537 -10.323 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.187 -7.057 -8.892 1.00 0.00 H new ATOM 0 HG23 ILE A 88 68.612 -5.686 -9.870 1.00 0.00 H new ATOM 0 HD11 ILE A 88 72.116 -3.575 -11.089 1.00 0.00 H new ATOM 0 HD12 ILE A 88 72.673 -4.924 -10.071 1.00 0.00 H new ATOM 0 HD13 ILE A 88 71.335 -5.169 -11.220 1.00 0.00 H new ATOM 1414 N GLU A 89 68.803 -6.799 -6.282 1.00 0.00 N ATOM 1415 CA GLU A 89 68.855 -7.802 -5.212 1.00 0.00 C ATOM 1416 C GLU A 89 69.518 -9.097 -5.686 1.00 0.00 C ATOM 1417 O GLU A 89 69.283 -9.560 -6.803 1.00 0.00 O ATOM 1418 CB GLU A 89 67.450 -8.101 -4.664 1.00 0.00 C ATOM 1419 CG GLU A 89 67.445 -8.508 -3.198 1.00 0.00 C ATOM 1420 CD GLU A 89 66.119 -8.227 -2.517 1.00 0.00 C ATOM 1421 OE1 GLU A 89 65.245 -9.121 -2.527 1.00 0.00 O ATOM 1422 OE2 GLU A 89 65.953 -7.115 -1.974 1.00 0.00 O ATOM 0 H GLU A 89 68.122 -6.994 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 89 69.462 -7.382 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 89 66.824 -7.218 -4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 89 67.000 -8.898 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.671 -9.571 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.238 -7.974 -2.674 1.00 0.00 H new ATOM 1429 N VAL A 90 70.359 -9.668 -4.826 1.00 0.00 N ATOM 1430 CA VAL A 90 71.063 -10.912 -5.138 1.00 0.00 C ATOM 1431 C VAL A 90 70.627 -12.039 -4.197 1.00 0.00 C ATOM 1432 O VAL A 90 70.521 -11.843 -2.987 1.00 0.00 O ATOM 1433 CB VAL A 90 72.596 -10.732 -5.040 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.319 -11.896 -5.697 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.029 -9.416 -5.665 1.00 0.00 C ATOM 0 H VAL A 90 70.571 -9.288 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 90 70.804 -11.178 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 90 72.864 -10.713 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.396 -11.748 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 90 73.042 -12.825 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.039 -11.952 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.111 -9.313 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.741 -9.400 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.546 -8.589 -5.144 1.00 0.00 H new ATOM 1445 N TYR A 91 70.380 -13.221 -4.758 1.00 0.00 N ATOM 1446 CA TYR A 91 69.955 -14.374 -3.958 1.00 0.00 C ATOM 1447 C TYR A 91 70.915 -15.552 -4.121 1.00 0.00 C ATOM 1448 O TYR A 91 71.439 -15.798 -5.209 1.00 0.00 O ATOM 1449 CB TYR A 91 68.531 -14.811 -4.332 1.00 0.00 C ATOM 1450 CG TYR A 91 67.446 -13.952 -3.718 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.437 -13.411 -4.503 1.00 0.00 C ATOM 1452 CD2 TYR A 91 67.427 -13.687 -2.352 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.443 -12.628 -3.949 1.00 0.00 C ATOM 1454 CE2 TYR A 91 66.435 -12.905 -1.791 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.446 -12.379 -2.594 1.00 0.00 C ATOM 1456 OH TYR A 91 64.458 -11.599 -2.038 1.00 0.00 O ATOM 0 H TYR A 91 70.465 -13.408 -5.757 1.00 0.00 H new ATOM 0 HA TYR A 91 69.966 -14.061 -2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.428 -14.790 -5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.384 -15.844 -4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.429 -13.606 -5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 91 68.200 -14.099 -1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.667 -12.213 -4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 91 66.435 -12.707 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 91 64.688 -10.653 -2.147 1.00 0.00 H new ATOM 1466 N GLN A 92 71.137 -16.281 -3.029 1.00 0.00 N ATOM 1467 CA GLN A 92 72.034 -17.437 -3.037 1.00 0.00 C ATOM 1468 C GLN A 92 71.318 -18.692 -3.541 1.00 0.00 C ATOM 1469 O GLN A 92 70.238 -19.035 -3.062 1.00 0.00 O ATOM 1470 CB GLN A 92 72.584 -17.686 -1.628 1.00 0.00 C ATOM 1471 CG GLN A 92 74.104 -17.718 -1.552 1.00 0.00 C ATOM 1472 CD GLN A 92 74.614 -18.122 -0.183 1.00 0.00 C ATOM 1473 OE1 GLN A 92 75.093 -17.289 0.582 1.00 0.00 O ATOM 1474 NE2 GLN A 92 74.513 -19.403 0.137 1.00 0.00 N ATOM 0 H GLN A 92 70.707 -16.091 -2.124 1.00 0.00 H new ATOM 0 HA GLN A 92 72.858 -17.217 -3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 92 72.214 -16.907 -0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.192 -18.634 -1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.486 -18.415 -2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.497 -16.733 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.109 -20.064 -0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 92 74.839 -19.729 1.047 1.00 0.00 H new ATOM 1483 N GLU A 93 71.927 -19.372 -4.511 1.00 0.00 N ATOM 1484 CA GLU A 93 71.348 -20.595 -5.066 1.00 0.00 C ATOM 1485 C GLU A 93 71.710 -21.804 -4.202 1.00 0.00 C ATOM 1486 O GLU A 93 70.838 -22.561 -3.776 1.00 0.00 O ATOM 1487 CB GLU A 93 71.830 -20.811 -6.504 1.00 0.00 C ATOM 1488 CG GLU A 93 70.918 -21.713 -7.322 1.00 0.00 C ATOM 1489 CD GLU A 93 71.649 -22.418 -8.449 1.00 0.00 C ATOM 1490 OE1 GLU A 93 71.705 -21.855 -9.565 1.00 0.00 O ATOM 1491 OE2 GLU A 93 72.166 -23.531 -8.218 1.00 0.00 O ATOM 0 H GLU A 93 72.817 -19.099 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 93 70.263 -20.486 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 93 71.911 -19.844 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 93 72.830 -21.243 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 93 70.466 -22.457 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 93 70.104 -21.119 -7.738 1.00 0.00 H new