USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 465 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 Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 159:sc= 1.61 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.38) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0439 USER MOD Single : A 49 SER OG : rot -62:sc= 0.261! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 179:sc= -1.18 (180deg=-1.2) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.3) USER MOD Single : A 67 TYR OH : rot 150:sc= -0.0616 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -110:sc= 0.0237 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 306 N PRO A 21 -3.851 2.506 6.706 1.00 0.00 N ATOM 307 CA PRO A 21 -4.477 3.651 6.038 1.00 0.00 C ATOM 308 C PRO A 21 -5.241 4.543 7.011 1.00 0.00 C ATOM 309 O PRO A 21 -5.732 4.079 8.040 1.00 0.00 O ATOM 310 CB PRO A 21 -5.439 2.998 5.043 1.00 0.00 C ATOM 311 CG PRO A 21 -5.746 1.665 5.632 1.00 0.00 C ATOM 312 CD PRO A 21 -4.499 1.232 6.351 1.00 0.00 C ATOM 0 HA PRO A 21 -3.740 4.305 5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.343 3.593 4.918 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.983 2.900 4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.590 1.727 6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.018 0.949 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.731 0.639 7.236 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.860 0.620 5.715 1.00 0.00 H new ATOM 320 N VAL A 22 -5.338 5.826 6.679 1.00 0.00 N ATOM 321 CA VAL A 22 -6.043 6.783 7.522 1.00 0.00 C ATOM 322 C VAL A 22 -7.553 6.586 7.433 1.00 0.00 C ATOM 323 O VAL A 22 -8.054 5.968 6.494 1.00 0.00 O ATOM 324 CB VAL A 22 -5.702 8.234 7.132 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.203 8.394 6.929 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.465 8.642 5.881 1.00 0.00 C ATOM 0 H VAL A 22 -4.937 6.227 5.831 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.715 6.604 8.546 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.006 8.892 7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.981 9.425 6.654 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.682 8.145 7.853 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.870 7.727 6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.212 9.670 5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.194 7.981 5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.536 8.568 6.068 1.00 0.00 H new ATOM 336 N SER A 23 -8.272 7.117 8.416 1.00 0.00 N ATOM 337 CA SER A 23 -9.725 6.996 8.451 1.00 0.00 C ATOM 338 C SER A 23 -10.362 7.775 7.304 1.00 0.00 C ATOM 339 O SER A 23 -9.672 8.436 6.529 1.00 0.00 O ATOM 340 CB SER A 23 -10.268 7.502 9.789 1.00 0.00 C ATOM 341 OG SER A 23 -11.013 6.494 10.450 1.00 0.00 O ATOM 0 H SER A 23 -7.873 7.635 9.199 1.00 0.00 H new ATOM 0 HA SER A 23 -9.980 5.942 8.338 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.441 7.823 10.423 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.899 8.375 9.622 1.00 0.00 H new ATOM 0 HG SER A 23 -11.348 6.841 11.303 1.00 0.00 H new ATOM 347 N ALA A 24 -11.685 7.692 7.204 1.00 0.00 N ATOM 348 CA ALA A 24 -12.417 8.390 6.154 1.00 0.00 C ATOM 349 C ALA A 24 -12.080 9.877 6.146 1.00 0.00 C ATOM 350 O ALA A 24 -11.442 10.374 5.217 1.00 0.00 O ATOM 351 CB ALA A 24 -13.914 8.187 6.330 1.00 0.00 C ATOM 0 H ALA A 24 -12.271 7.148 7.837 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.115 7.971 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.448 8.714 5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.146 7.123 6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.223 8.579 7.299 1.00 0.00 H new ATOM 357 N TYR A 25 -12.513 10.583 7.184 1.00 0.00 N ATOM 358 CA TYR A 25 -12.260 12.015 7.295 1.00 0.00 C ATOM 359 C TYR A 25 -10.781 12.325 7.080 1.00 0.00 C ATOM 360 O TYR A 25 -10.426 13.386 6.570 1.00 0.00 O ATOM 361 CB TYR A 25 -12.706 12.529 8.664 1.00 0.00 C ATOM 362 CG TYR A 25 -12.011 13.802 9.089 1.00 0.00 C ATOM 363 CD1 TYR A 25 -12.004 14.922 8.267 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.361 13.886 10.315 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.370 16.087 8.651 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.725 15.048 10.708 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.732 16.145 9.872 1.00 0.00 C ATOM 368 OH TYR A 25 -10.099 17.305 10.259 1.00 0.00 O ATOM 0 H TYR A 25 -13.041 10.187 7.961 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.836 12.521 6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.782 12.702 8.645 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.520 11.757 9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.503 14.881 7.310 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.353 13.028 10.971 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.374 16.948 7.999 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.225 15.097 11.664 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.700 17.180 11.145 1.00 0.00 H new ATOM 378 N ALA A 26 -9.924 11.389 7.474 1.00 0.00 N ATOM 379 CA ALA A 26 -8.484 11.559 7.323 1.00 0.00 C ATOM 380 C ALA A 26 -8.067 11.435 5.862 1.00 0.00 C ATOM 381 O ALA A 26 -7.201 12.172 5.388 1.00 0.00 O ATOM 382 CB ALA A 26 -7.740 10.541 8.175 1.00 0.00 C ATOM 0 H ALA A 26 -10.202 10.505 7.900 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.224 12.561 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.666 10.680 8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.007 10.679 9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.014 9.534 7.861 1.00 0.00 H new ATOM 388 N LEU A 27 -8.687 10.500 5.152 1.00 0.00 N ATOM 389 CA LEU A 27 -8.379 10.279 3.743 1.00 0.00 C ATOM 390 C LEU A 27 -8.540 11.567 2.942 1.00 0.00 C ATOM 391 O LEU A 27 -7.831 11.793 1.961 1.00 0.00 O ATOM 392 CB LEU A 27 -9.287 9.190 3.167 1.00 0.00 C ATOM 393 CG LEU A 27 -8.671 7.795 3.052 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.722 6.725 3.307 1.00 0.00 C ATOM 395 CD2 LEU A 27 -8.034 7.604 1.683 1.00 0.00 C ATOM 0 H LEU A 27 -9.406 9.882 5.528 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.341 9.955 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.179 9.121 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.614 9.504 2.176 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.893 7.699 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.266 5.739 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.132 6.849 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.523 6.819 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.601 6.606 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.793 7.720 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.252 8.349 1.539 1.00 0.00 H new ATOM 407 N PHE A 28 -9.476 12.409 3.367 1.00 0.00 N ATOM 408 CA PHE A 28 -9.729 13.676 2.691 1.00 0.00 C ATOM 409 C PHE A 28 -8.796 14.766 3.209 1.00 0.00 C ATOM 410 O PHE A 28 -8.670 15.830 2.604 1.00 0.00 O ATOM 411 CB PHE A 28 -11.186 14.100 2.887 1.00 0.00 C ATOM 412 CG PHE A 28 -11.425 15.560 2.625 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.301 16.490 3.645 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.775 16.002 1.359 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.520 17.834 3.407 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.995 17.345 1.116 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.869 18.261 2.141 1.00 0.00 C ATOM 0 H PHE A 28 -10.072 12.237 4.177 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.538 13.536 1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.820 13.511 2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.490 13.868 3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.030 16.161 4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.877 15.290 0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.418 18.549 4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.265 17.677 0.125 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.043 19.310 1.953 1.00 0.00 H new ATOM 427 N PHE A 29 -8.144 14.492 4.335 1.00 0.00 N ATOM 428 CA PHE A 29 -7.223 15.449 4.937 1.00 0.00 C ATOM 429 C PHE A 29 -5.874 15.429 4.224 1.00 0.00 C ATOM 430 O PHE A 29 -5.295 16.477 3.940 1.00 0.00 O ATOM 431 CB PHE A 29 -7.032 15.139 6.423 1.00 0.00 C ATOM 432 CG PHE A 29 -6.166 16.137 7.137 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.786 16.010 7.126 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.732 17.201 7.820 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.986 16.927 7.782 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.937 18.122 8.477 1.00 0.00 C ATOM 437 CZ PHE A 29 -4.563 17.984 8.459 1.00 0.00 C ATOM 0 H PHE A 29 -8.237 13.615 4.848 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.654 16.445 4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.008 15.105 6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.590 14.148 6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.330 15.185 6.599 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.806 17.312 7.840 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.912 16.817 7.765 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.390 18.949 9.004 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.941 18.701 8.973 1.00 0.00 H new ATOM 447 N ARG A 30 -5.381 14.228 3.938 1.00 0.00 N ATOM 448 CA ARG A 30 -4.100 14.070 3.259 1.00 0.00 C ATOM 449 C ARG A 30 -4.202 14.500 1.799 1.00 0.00 C ATOM 450 O ARG A 30 -3.189 14.680 1.122 1.00 0.00 O ATOM 451 CB ARG A 30 -3.631 12.617 3.343 1.00 0.00 C ATOM 452 CG ARG A 30 -4.669 11.613 2.870 1.00 0.00 C ATOM 453 CD ARG A 30 -4.030 10.476 2.089 1.00 0.00 C ATOM 454 NE ARG A 30 -4.485 10.441 0.701 1.00 0.00 N ATOM 455 CZ ARG A 30 -3.889 9.732 -0.250 1.00 0.00 C ATOM 456 NH1 ARG A 30 -2.820 9.001 0.034 1.00 0.00 N ATOM 457 NH2 ARG A 30 -4.363 9.751 -1.489 1.00 0.00 N ATOM 0 H ARG A 30 -5.849 13.351 4.166 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.371 14.709 3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.727 12.501 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.362 12.390 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.204 11.209 3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.405 12.117 2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.946 10.585 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.266 9.528 2.572 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.306 10.992 0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.453 8.982 0.986 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.364 8.457 -0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.186 10.311 -1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.904 9.206 -2.219 1.00 0.00 H new ATOM 471 N ASP A 31 -5.430 14.663 1.320 1.00 0.00 N ATOM 472 CA ASP A 31 -5.664 15.072 -0.060 1.00 0.00 C ATOM 473 C ASP A 31 -5.839 16.585 -0.156 1.00 0.00 C ATOM 474 O ASP A 31 -5.423 17.208 -1.133 1.00 0.00 O ATOM 475 CB ASP A 31 -6.900 14.367 -0.621 1.00 0.00 C ATOM 476 CG ASP A 31 -6.607 13.619 -1.907 1.00 0.00 C ATOM 477 OD1 ASP A 31 -6.200 14.270 -2.892 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.784 12.383 -1.929 1.00 0.00 O ATOM 0 H ASP A 31 -6.279 14.518 1.867 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.793 14.786 -0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.285 13.669 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.683 15.103 -0.803 1.00 0.00 H new ATOM 483 N THR A 32 -6.459 17.170 0.864 1.00 0.00 N ATOM 484 CA THR A 32 -6.691 18.608 0.894 1.00 0.00 C ATOM 485 C THR A 32 -5.470 19.351 1.424 1.00 0.00 C ATOM 486 O THR A 32 -4.982 20.289 0.793 1.00 0.00 O ATOM 487 CB THR A 32 -7.911 18.962 1.765 1.00 0.00 C ATOM 488 OG1 THR A 32 -9.065 18.250 1.306 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.185 20.458 1.730 1.00 0.00 C ATOM 0 H THR A 32 -6.810 16.669 1.681 1.00 0.00 H new ATOM 0 HA THR A 32 -6.884 18.918 -0.133 1.00 0.00 H new ATOM 0 HB THR A 32 -7.692 18.672 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.730 18.207 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.051 20.684 2.352 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.316 20.996 2.108 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.385 20.767 0.704 1.00 0.00 H new ATOM 497 N GLN A 33 -4.981 18.926 2.584 1.00 0.00 N ATOM 498 CA GLN A 33 -3.816 19.553 3.198 1.00 0.00 C ATOM 499 C GLN A 33 -2.800 19.968 2.139 1.00 0.00 C ATOM 500 O GLN A 33 -2.435 21.139 2.041 1.00 0.00 O ATOM 501 CB GLN A 33 -3.165 18.597 4.199 1.00 0.00 C ATOM 502 CG GLN A 33 -1.851 19.111 4.764 1.00 0.00 C ATOM 503 CD GLN A 33 -0.806 18.021 4.896 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.504 17.564 5.999 1.00 0.00 O ATOM 505 NE2 GLN A 33 -0.247 17.597 3.769 1.00 0.00 N ATOM 0 H GLN A 33 -5.373 18.150 3.118 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.151 20.447 3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.858 18.417 5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.991 17.637 3.712 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.467 19.901 4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.030 19.557 5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.527 18.003 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.463 16.865 3.796 1.00 0.00 H new ATOM 514 N ALA A 34 -2.348 19.000 1.348 1.00 0.00 N ATOM 515 CA ALA A 34 -1.376 19.266 0.295 1.00 0.00 C ATOM 516 C ALA A 34 -1.796 20.463 -0.551 1.00 0.00 C ATOM 517 O ALA A 34 -0.966 21.287 -0.933 1.00 0.00 O ATOM 518 CB ALA A 34 -1.198 18.035 -0.581 1.00 0.00 C ATOM 0 H ALA A 34 -2.640 18.025 1.417 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.423 19.505 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.469 18.247 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.844 17.203 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.153 17.771 -1.036 1.00 0.00 H new ATOM 524 N ALA A 35 -3.090 20.552 -0.840 1.00 0.00 N ATOM 525 CA ALA A 35 -3.620 21.649 -1.640 1.00 0.00 C ATOM 526 C ALA A 35 -3.593 22.960 -0.861 1.00 0.00 C ATOM 527 O ALA A 35 -3.513 24.040 -1.447 1.00 0.00 O ATOM 528 CB ALA A 35 -5.037 21.334 -2.096 1.00 0.00 C ATOM 0 H ALA A 35 -3.791 19.878 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.985 21.765 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.420 22.162 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.032 20.425 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.676 21.189 -1.225 1.00 0.00 H new ATOM 534 N ILE A 36 -3.661 22.857 0.462 1.00 0.00 N ATOM 535 CA ILE A 36 -3.644 24.035 1.321 1.00 0.00 C ATOM 536 C ILE A 36 -2.225 24.565 1.499 1.00 0.00 C ATOM 537 O ILE A 36 -1.923 25.699 1.128 1.00 0.00 O ATOM 538 CB ILE A 36 -4.244 23.730 2.707 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.565 22.973 2.559 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.449 25.018 3.490 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.702 23.835 2.058 1.00 0.00 C ATOM 0 H ILE A 36 -3.728 21.971 0.962 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.253 24.793 0.829 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.546 23.100 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.422 22.139 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.840 22.547 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.873 24.786 4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.491 25.521 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.130 25.671 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.607 23.233 1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.872 24.654 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.447 24.240 1.079 1.00 0.00 H new ATOM 553 N LYS A 37 -1.357 23.736 2.068 1.00 0.00 N ATOM 554 CA LYS A 37 0.032 24.118 2.293 1.00 0.00 C ATOM 555 C LYS A 37 0.714 24.490 0.980 1.00 0.00 C ATOM 556 O LYS A 37 1.450 25.473 0.908 1.00 0.00 O ATOM 557 CB LYS A 37 0.794 22.976 2.969 1.00 0.00 C ATOM 558 CG LYS A 37 1.729 23.438 4.073 1.00 0.00 C ATOM 559 CD LYS A 37 2.932 24.177 3.512 1.00 0.00 C ATOM 560 CE LYS A 37 4.181 23.311 3.541 1.00 0.00 C ATOM 561 NZ LYS A 37 4.373 22.572 2.262 1.00 0.00 N ATOM 0 H LYS A 37 -1.591 22.794 2.382 1.00 0.00 H new ATOM 0 HA LYS A 37 0.041 24.990 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.077 22.268 3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.372 22.440 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.189 24.089 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.066 22.577 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.725 24.485 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.104 25.085 4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.053 23.937 3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.111 22.600 4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.235 21.993 2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.553 21.956 2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.465 23.251 1.479 1.00 0.00 H new ATOM 575 N GLY A 38 0.462 23.697 -0.058 1.00 0.00 N ATOM 576 CA GLY A 38 1.058 23.961 -1.354 1.00 0.00 C ATOM 577 C GLY A 38 0.734 25.350 -1.870 1.00 0.00 C ATOM 578 O GLY A 38 1.595 26.025 -2.434 1.00 0.00 O ATOM 0 H GLY A 38 -0.144 22.877 -0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.140 23.846 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.705 23.219 -2.071 1.00 0.00 H new ATOM 582 N GLN A 39 -0.510 25.776 -1.677 1.00 0.00 N ATOM 583 CA GLN A 39 -0.945 27.092 -2.129 1.00 0.00 C ATOM 584 C GLN A 39 -0.542 28.171 -1.129 1.00 0.00 C ATOM 585 O GLN A 39 -0.323 29.323 -1.500 1.00 0.00 O ATOM 586 CB GLN A 39 -2.461 27.109 -2.333 1.00 0.00 C ATOM 587 CG GLN A 39 -2.891 26.708 -3.734 1.00 0.00 C ATOM 588 CD GLN A 39 -4.307 27.142 -4.057 1.00 0.00 C ATOM 589 OE1 GLN A 39 -4.521 28.087 -4.817 1.00 0.00 O ATOM 590 NE2 GLN A 39 -5.284 26.453 -3.480 1.00 0.00 N ATOM 0 H GLN A 39 -1.234 25.229 -1.211 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.456 27.302 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.924 26.434 -1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.837 28.110 -2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.206 27.147 -4.460 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.814 25.626 -3.838 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.061 25.677 -2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.257 26.700 -3.660 1.00 0.00 H new ATOM 599 N ASN A 40 -0.447 27.789 0.140 1.00 0.00 N ATOM 600 CA ASN A 40 -0.071 28.725 1.194 1.00 0.00 C ATOM 601 C ASN A 40 0.973 28.111 2.120 1.00 0.00 C ATOM 602 O ASN A 40 0.664 27.619 3.206 1.00 0.00 O ATOM 603 CB ASN A 40 -1.304 29.139 2.000 1.00 0.00 C ATOM 604 CG ASN A 40 -2.559 29.196 1.150 1.00 0.00 C ATOM 605 OD1 ASN A 40 -2.646 29.980 0.205 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.538 28.363 1.484 1.00 0.00 N ATOM 0 H ASN A 40 -0.625 26.838 0.464 1.00 0.00 H new ATOM 0 HA ASN A 40 0.361 29.608 0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.454 28.434 2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.129 30.116 2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.406 28.356 0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.421 27.730 2.276 1.00 0.00 H new ATOM 613 N PRO A 41 2.241 28.139 1.684 1.00 0.00 N ATOM 614 CA PRO A 41 3.358 27.590 2.459 1.00 0.00 C ATOM 615 C PRO A 41 3.664 28.419 3.701 1.00 0.00 C ATOM 616 O PRO A 41 4.552 28.079 4.482 1.00 0.00 O ATOM 617 CB PRO A 41 4.531 27.643 1.477 1.00 0.00 C ATOM 618 CG PRO A 41 4.181 28.736 0.527 1.00 0.00 C ATOM 619 CD PRO A 41 2.682 28.709 0.399 1.00 0.00 C ATOM 0 HA PRO A 41 3.142 26.589 2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.469 27.851 1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.656 26.693 0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.524 29.701 0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.658 28.580 -0.440 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.274 29.707 0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.361 28.096 -0.444 1.00 0.00 H new ATOM 627 N ASN A 42 2.924 29.509 3.877 1.00 0.00 N ATOM 628 CA ASN A 42 3.117 30.387 5.025 1.00 0.00 C ATOM 629 C ASN A 42 2.297 29.909 6.220 1.00 0.00 C ATOM 630 O ASN A 42 2.514 30.347 7.349 1.00 0.00 O ATOM 631 CB ASN A 42 2.727 31.822 4.667 1.00 0.00 C ATOM 632 CG ASN A 42 3.895 32.618 4.115 1.00 0.00 C ATOM 633 OD1 ASN A 42 4.857 32.905 4.827 1.00 0.00 O ATOM 634 ND2 ASN A 42 3.815 32.977 2.839 1.00 0.00 N ATOM 0 H ASN A 42 2.185 29.805 3.239 1.00 0.00 H new ATOM 0 HA ASN A 42 4.172 30.361 5.297 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.923 31.804 3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.337 32.322 5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.570 33.513 2.412 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.998 32.717 2.286 1.00 0.00 H new ATOM 641 N ALA A 43 1.355 29.007 5.961 1.00 0.00 N ATOM 642 CA ALA A 43 0.505 28.468 7.015 1.00 0.00 C ATOM 643 C ALA A 43 1.181 27.298 7.722 1.00 0.00 C ATOM 644 O ALA A 43 1.800 26.446 7.083 1.00 0.00 O ATOM 645 CB ALA A 43 -0.837 28.036 6.441 1.00 0.00 C ATOM 0 H ALA A 43 1.162 28.635 5.031 1.00 0.00 H new ATOM 0 HA ALA A 43 0.338 29.255 7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.462 27.635 7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.333 28.895 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.679 27.268 5.684 1.00 0.00 H new ATOM 651 N THR A 44 1.062 27.263 9.046 1.00 0.00 N ATOM 652 CA THR A 44 1.663 26.199 9.839 1.00 0.00 C ATOM 653 C THR A 44 0.724 25.005 9.961 1.00 0.00 C ATOM 654 O THR A 44 -0.479 25.123 9.727 1.00 0.00 O ATOM 655 CB THR A 44 2.033 26.692 11.251 1.00 0.00 C ATOM 656 OG1 THR A 44 2.821 25.704 11.924 1.00 0.00 O ATOM 657 CG2 THR A 44 0.783 26.992 12.064 1.00 0.00 C ATOM 0 H THR A 44 0.555 27.960 9.591 1.00 0.00 H new ATOM 0 HA THR A 44 2.570 25.892 9.319 1.00 0.00 H new ATOM 0 HB THR A 44 2.611 27.611 11.151 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.053 26.026 12.820 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.069 27.338 13.057 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.201 27.766 11.564 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.182 26.087 12.155 1.00 0.00 H new ATOM 665 N PHE A 45 1.280 23.855 10.328 1.00 0.00 N ATOM 666 CA PHE A 45 0.491 22.639 10.480 1.00 0.00 C ATOM 667 C PHE A 45 -0.858 22.942 11.127 1.00 0.00 C ATOM 668 O PHE A 45 -1.898 22.476 10.666 1.00 0.00 O ATOM 669 CB PHE A 45 1.253 21.613 11.322 1.00 0.00 C ATOM 670 CG PHE A 45 2.290 20.853 10.546 1.00 0.00 C ATOM 671 CD1 PHE A 45 1.946 20.165 9.393 1.00 0.00 C ATOM 672 CD2 PHE A 45 3.609 20.825 10.969 1.00 0.00 C ATOM 673 CE1 PHE A 45 2.898 19.465 8.676 1.00 0.00 C ATOM 674 CE2 PHE A 45 4.566 20.127 10.256 1.00 0.00 C ATOM 675 CZ PHE A 45 4.210 19.445 9.109 1.00 0.00 C ATOM 0 H PHE A 45 2.274 23.740 10.526 1.00 0.00 H new ATOM 0 HA PHE A 45 0.313 22.225 9.487 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.736 22.125 12.154 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.542 20.907 11.751 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.922 20.176 9.051 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.893 21.355 11.866 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.617 18.934 7.778 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.591 20.115 10.596 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.956 18.897 8.552 1.00 0.00 H new ATOM 685 N GLY A 46 -0.830 23.728 12.199 1.00 0.00 N ATOM 686 CA GLY A 46 -2.055 24.080 12.893 1.00 0.00 C ATOM 687 C GLY A 46 -3.058 24.765 11.986 1.00 0.00 C ATOM 688 O GLY A 46 -4.257 24.501 12.065 1.00 0.00 O ATOM 0 H GLY A 46 0.019 24.127 12.599 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.504 23.179 13.311 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.819 24.737 13.730 1.00 0.00 H new ATOM 692 N GLU A 47 -2.567 25.648 11.123 1.00 0.00 N ATOM 693 CA GLU A 47 -3.430 26.375 10.199 1.00 0.00 C ATOM 694 C GLU A 47 -3.982 25.444 9.124 1.00 0.00 C ATOM 695 O GLU A 47 -5.196 25.282 8.990 1.00 0.00 O ATOM 696 CB GLU A 47 -2.662 27.526 9.547 1.00 0.00 C ATOM 697 CG GLU A 47 -2.859 28.862 10.244 1.00 0.00 C ATOM 698 CD GLU A 47 -3.291 29.959 9.291 1.00 0.00 C ATOM 699 OE1 GLU A 47 -4.482 29.985 8.916 1.00 0.00 O ATOM 700 OE2 GLU A 47 -2.438 30.793 8.921 1.00 0.00 O ATOM 0 H GLU A 47 -1.576 25.878 11.044 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.266 26.782 10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.599 27.284 9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.976 27.618 8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.608 28.751 11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.929 29.154 10.731 1.00 0.00 H new ATOM 707 N VAL A 48 -3.083 24.833 8.359 1.00 0.00 N ATOM 708 CA VAL A 48 -3.479 23.918 7.296 1.00 0.00 C ATOM 709 C VAL A 48 -4.588 22.981 7.762 1.00 0.00 C ATOM 710 O VAL A 48 -5.483 22.631 6.992 1.00 0.00 O ATOM 711 CB VAL A 48 -2.285 23.077 6.805 1.00 0.00 C ATOM 712 CG1 VAL A 48 -2.768 21.884 5.996 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.331 23.935 5.987 1.00 0.00 C ATOM 0 H VAL A 48 -2.075 24.955 8.456 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.846 24.530 6.472 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.746 22.701 7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.910 21.302 5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.409 21.258 6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.332 22.235 5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.493 23.326 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.857 24.342 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.958 24.753 6.603 1.00 0.00 H new ATOM 723 N SER A 49 -4.523 22.579 9.027 1.00 0.00 N ATOM 724 CA SER A 49 -5.520 21.679 9.595 1.00 0.00 C ATOM 725 C SER A 49 -6.827 22.419 9.865 1.00 0.00 C ATOM 726 O SER A 49 -7.872 22.080 9.308 1.00 0.00 O ATOM 727 CB SER A 49 -4.996 21.057 10.891 1.00 0.00 C ATOM 728 OG SER A 49 -5.146 21.949 11.982 1.00 0.00 O ATOM 0 H SER A 49 -3.791 22.862 9.678 1.00 0.00 H new ATOM 0 HA SER A 49 -5.713 20.886 8.872 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.534 20.132 11.097 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.944 20.795 10.773 1.00 0.00 H new ATOM 0 HG SER A 49 -4.615 22.757 11.820 1.00 0.00 H new ATOM 734 N LYS A 50 -6.761 23.431 10.723 1.00 0.00 N ATOM 735 CA LYS A 50 -7.937 24.221 11.067 1.00 0.00 C ATOM 736 C LYS A 50 -8.741 24.571 9.819 1.00 0.00 C ATOM 737 O LYS A 50 -9.943 24.829 9.897 1.00 0.00 O ATOM 738 CB LYS A 50 -7.522 25.501 11.795 1.00 0.00 C ATOM 739 CG LYS A 50 -8.390 25.825 12.999 1.00 0.00 C ATOM 740 CD LYS A 50 -9.163 27.118 12.797 1.00 0.00 C ATOM 741 CE LYS A 50 -10.492 27.094 13.536 1.00 0.00 C ATOM 742 NZ LYS A 50 -11.168 28.420 13.504 1.00 0.00 N ATOM 0 H LYS A 50 -5.905 23.724 11.193 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.565 23.623 11.727 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.486 25.405 12.120 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.560 26.336 11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.088 25.007 13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.765 25.909 13.888 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.565 27.959 13.148 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.340 27.275 11.733 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.143 26.343 13.088 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.327 26.796 14.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.070 28.362 14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.558 29.132 13.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.349 28.694 12.517 1.00 0.00 H new ATOM 756 N ILE A 51 -8.072 24.578 8.672 1.00 0.00 N ATOM 757 CA ILE A 51 -8.726 24.894 7.408 1.00 0.00 C ATOM 758 C ILE A 51 -9.458 23.679 6.849 1.00 0.00 C ATOM 759 O ILE A 51 -10.607 23.778 6.418 1.00 0.00 O ATOM 760 CB ILE A 51 -7.714 25.396 6.361 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.022 26.667 6.857 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.410 25.651 5.032 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.730 26.974 6.132 1.00 0.00 C ATOM 0 H ILE A 51 -7.077 24.368 8.591 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.446 25.686 7.614 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.957 24.627 6.212 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.703 27.510 6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.816 26.567 7.923 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.682 26.005 4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.862 24.726 4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.186 26.405 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.295 27.888 6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.031 26.149 6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.932 27.107 5.069 1.00 0.00 H new ATOM 775 N VAL A 52 -8.786 22.533 6.861 1.00 0.00 N ATOM 776 CA VAL A 52 -9.374 21.297 6.358 1.00 0.00 C ATOM 777 C VAL A 52 -10.609 20.908 7.163 1.00 0.00 C ATOM 778 O VAL A 52 -11.665 20.621 6.600 1.00 0.00 O ATOM 779 CB VAL A 52 -8.362 20.137 6.399 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.049 18.817 6.083 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.216 20.396 5.432 1.00 0.00 C ATOM 0 H VAL A 52 -7.834 22.434 7.213 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.662 21.482 5.323 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.950 20.072 7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.318 18.009 6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.832 18.629 6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.490 18.866 5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.510 19.566 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.608 20.488 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.708 21.319 5.709 1.00 0.00 H new ATOM 791 N ALA A 53 -10.468 20.900 8.485 1.00 0.00 N ATOM 792 CA ALA A 53 -11.573 20.549 9.369 1.00 0.00 C ATOM 793 C ALA A 53 -12.861 21.243 8.939 1.00 0.00 C ATOM 794 O ALA A 53 -13.947 20.670 9.032 1.00 0.00 O ATOM 795 CB ALA A 53 -11.232 20.908 10.808 1.00 0.00 C ATOM 0 H ALA A 53 -9.600 21.133 8.967 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.732 19.473 9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.066 20.641 11.457 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.341 20.362 11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.044 21.979 10.881 1.00 0.00 H new ATOM 801 N SER A 54 -12.734 22.480 8.470 1.00 0.00 N ATOM 802 CA SER A 54 -13.889 23.254 8.031 1.00 0.00 C ATOM 803 C SER A 54 -14.400 22.750 6.684 1.00 0.00 C ATOM 804 O SER A 54 -15.589 22.851 6.382 1.00 0.00 O ATOM 805 CB SER A 54 -13.527 24.737 7.929 1.00 0.00 C ATOM 806 OG SER A 54 -14.260 25.506 8.867 1.00 0.00 O ATOM 0 H SER A 54 -11.842 22.968 8.384 1.00 0.00 H new ATOM 0 HA SER A 54 -14.680 23.131 8.770 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.459 24.867 8.103 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.732 25.096 6.920 1.00 0.00 H new ATOM 0 HG SER A 54 -14.010 26.450 8.783 1.00 0.00 H new ATOM 812 N MET A 55 -13.493 22.206 5.880 1.00 0.00 N ATOM 813 CA MET A 55 -13.851 21.685 4.566 1.00 0.00 C ATOM 814 C MET A 55 -14.671 20.405 4.694 1.00 0.00 C ATOM 815 O MET A 55 -15.772 20.306 4.152 1.00 0.00 O ATOM 816 CB MET A 55 -12.592 21.418 3.739 1.00 0.00 C ATOM 817 CG MET A 55 -11.777 22.668 3.450 1.00 0.00 C ATOM 818 SD MET A 55 -11.966 23.243 1.752 1.00 0.00 S ATOM 819 CE MET A 55 -10.656 22.331 0.938 1.00 0.00 C ATOM 0 H MET A 55 -12.505 22.114 6.115 1.00 0.00 H new ATOM 0 HA MET A 55 -14.458 22.435 4.058 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.965 20.700 4.268 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.879 20.955 2.795 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.080 23.461 4.134 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.724 22.464 3.645 1.00 0.00 H new ATOM 0 HE1 MET A 55 -10.656 22.567 -0.126 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.695 22.609 1.372 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.819 21.262 1.073 1.00 0.00 H new ATOM 829 N TRP A 56 -14.128 19.430 5.412 1.00 0.00 N ATOM 830 CA TRP A 56 -14.810 18.156 5.611 1.00 0.00 C ATOM 831 C TRP A 56 -16.171 18.363 6.266 1.00 0.00 C ATOM 832 O TRP A 56 -17.155 17.727 5.888 1.00 0.00 O ATOM 833 CB TRP A 56 -13.954 17.223 6.469 1.00 0.00 C ATOM 834 CG TRP A 56 -14.674 15.979 6.894 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.405 15.805 8.034 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.729 14.737 6.185 1.00 0.00 C ATOM 837 NE1 TRP A 56 -15.911 14.528 8.077 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.512 13.853 6.954 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.195 14.285 4.976 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.771 12.546 6.551 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.454 12.987 4.577 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.236 12.130 5.362 1.00 0.00 C ATOM 0 H TRP A 56 -13.217 19.496 5.867 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.964 17.699 4.633 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.061 16.944 5.910 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.620 17.761 7.356 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.562 16.560 8.790 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.490 14.145 8.824 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.591 14.938 4.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.373 11.884 7.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -14.046 12.627 3.644 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.420 11.121 5.022 1.00 0.00 H new ATOM 853 N ASP A 57 -16.220 19.256 7.248 1.00 0.00 N ATOM 854 CA ASP A 57 -17.462 19.548 7.955 1.00 0.00 C ATOM 855 C ASP A 57 -18.531 20.050 6.990 1.00 0.00 C ATOM 856 O ASP A 57 -19.702 20.165 7.349 1.00 0.00 O ATOM 857 CB ASP A 57 -17.218 20.587 9.050 1.00 0.00 C ATOM 858 CG ASP A 57 -17.318 19.995 10.442 1.00 0.00 C ATOM 859 OD1 ASP A 57 -16.382 19.277 10.850 1.00 0.00 O ATOM 860 OD2 ASP A 57 -18.334 20.250 11.124 1.00 0.00 O ATOM 0 H ASP A 57 -15.414 19.790 7.573 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.816 18.625 8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.230 21.027 8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.943 21.395 8.949 1.00 0.00 H new ATOM 865 N GLY A 58 -18.119 20.350 5.761 1.00 0.00 N ATOM 866 CA GLY A 58 -19.054 20.837 4.764 1.00 0.00 C ATOM 867 C GLY A 58 -18.984 20.051 3.470 1.00 0.00 C ATOM 868 O GLY A 58 -19.163 20.607 2.386 1.00 0.00 O ATOM 0 H GLY A 58 -17.155 20.264 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.067 20.784 5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.847 21.887 4.559 1.00 0.00 H new ATOM 872 N LEU A 59 -18.720 18.753 3.582 1.00 0.00 N ATOM 873 CA LEU A 59 -18.625 17.888 2.411 1.00 0.00 C ATOM 874 C LEU A 59 -19.964 17.220 2.117 1.00 0.00 C ATOM 875 O LEU A 59 -20.736 16.925 3.029 1.00 0.00 O ATOM 876 CB LEU A 59 -17.547 16.824 2.625 1.00 0.00 C ATOM 877 CG LEU A 59 -16.402 16.816 1.612 1.00 0.00 C ATOM 878 CD1 LEU A 59 -15.217 17.611 2.138 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.986 15.388 1.289 1.00 0.00 C ATOM 0 H LEU A 59 -18.568 18.277 4.471 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.353 18.505 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -17.124 16.959 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -18.024 15.844 2.612 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.752 17.289 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.412 17.594 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.522 18.642 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.867 17.168 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.170 15.401 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.655 14.890 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.834 14.848 0.868 1.00 0.00 H new ATOM 891 N GLY A 60 -20.233 16.981 0.837 1.00 0.00 N ATOM 892 CA GLY A 60 -21.478 16.347 0.446 1.00 0.00 C ATOM 893 C GLY A 60 -21.600 14.932 0.976 1.00 0.00 C ATOM 894 O GLY A 60 -20.596 14.247 1.169 1.00 0.00 O ATOM 0 H GLY A 60 -19.610 17.215 0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -22.315 16.942 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.548 16.332 -0.642 1.00 0.00 H new ATOM 898 N GLU A 61 -22.832 14.495 1.213 1.00 0.00 N ATOM 899 CA GLU A 61 -23.080 13.153 1.727 1.00 0.00 C ATOM 900 C GLU A 61 -22.448 12.099 0.822 1.00 0.00 C ATOM 901 O GLU A 61 -21.975 11.065 1.293 1.00 0.00 O ATOM 902 CB GLU A 61 -24.584 12.899 1.850 1.00 0.00 C ATOM 903 CG GLU A 61 -24.997 12.331 3.197 1.00 0.00 C ATOM 904 CD GLU A 61 -26.495 12.394 3.423 1.00 0.00 C ATOM 905 OE1 GLU A 61 -27.044 13.516 3.458 1.00 0.00 O ATOM 906 OE2 GLU A 61 -27.119 11.322 3.564 1.00 0.00 O ATOM 0 H GLU A 61 -23.674 15.050 1.058 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.625 13.080 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -25.117 13.835 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.893 12.210 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -24.666 11.295 3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.490 12.881 3.990 1.00 0.00 H new ATOM 913 N GLU A 62 -22.447 12.369 -0.480 1.00 0.00 N ATOM 914 CA GLU A 62 -21.875 11.443 -1.451 1.00 0.00 C ATOM 915 C GLU A 62 -20.350 11.457 -1.383 1.00 0.00 C ATOM 916 O GLU A 62 -19.696 10.465 -1.703 1.00 0.00 O ATOM 917 CB GLU A 62 -22.336 11.802 -2.865 1.00 0.00 C ATOM 918 CG GLU A 62 -22.353 10.620 -3.818 1.00 0.00 C ATOM 919 CD GLU A 62 -23.603 10.577 -4.674 1.00 0.00 C ATOM 920 OE1 GLU A 62 -23.617 11.230 -5.739 1.00 0.00 O ATOM 921 OE2 GLU A 62 -24.569 9.891 -4.279 1.00 0.00 O ATOM 0 H GLU A 62 -22.835 13.220 -0.886 1.00 0.00 H new ATOM 0 HA GLU A 62 -22.224 10.440 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -23.337 12.231 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.679 12.573 -3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.476 10.667 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -22.278 9.696 -3.245 1.00 0.00 H new ATOM 928 N GLN A 63 -19.793 12.588 -0.965 1.00 0.00 N ATOM 929 CA GLN A 63 -18.346 12.732 -0.856 1.00 0.00 C ATOM 930 C GLN A 63 -17.835 12.132 0.450 1.00 0.00 C ATOM 931 O GLN A 63 -16.718 11.619 0.515 1.00 0.00 O ATOM 932 CB GLN A 63 -17.950 14.207 -0.942 1.00 0.00 C ATOM 933 CG GLN A 63 -18.294 14.852 -2.275 1.00 0.00 C ATOM 934 CD GLN A 63 -17.723 16.250 -2.411 1.00 0.00 C ATOM 935 OE1 GLN A 63 -18.425 17.242 -2.210 1.00 0.00 O ATOM 936 NE2 GLN A 63 -16.444 16.336 -2.754 1.00 0.00 N ATOM 0 H GLN A 63 -20.321 13.418 -0.696 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.890 12.192 -1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.448 14.756 -0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.877 14.297 -0.770 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.915 14.228 -3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -19.378 14.894 -2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.900 15.488 -2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.005 17.250 -2.861 1.00 0.00 H new ATOM 945 N LYS A 64 -18.661 12.200 1.489 1.00 0.00 N ATOM 946 CA LYS A 64 -18.295 11.663 2.794 1.00 0.00 C ATOM 947 C LYS A 64 -18.411 10.142 2.809 1.00 0.00 C ATOM 948 O LYS A 64 -17.512 9.447 3.282 1.00 0.00 O ATOM 949 CB LYS A 64 -19.186 12.263 3.884 1.00 0.00 C ATOM 950 CG LYS A 64 -18.759 13.653 4.321 1.00 0.00 C ATOM 951 CD LYS A 64 -19.466 14.078 5.597 1.00 0.00 C ATOM 952 CE LYS A 64 -18.847 15.337 6.185 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.565 15.789 7.408 1.00 0.00 N ATOM 0 H LYS A 64 -19.589 12.622 1.452 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.258 11.933 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.213 12.305 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.182 11.601 4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.681 13.671 4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.977 14.368 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.521 14.254 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.416 13.271 6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.801 15.148 6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.864 16.132 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.113 16.649 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.557 15.993 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.528 15.041 8.129 1.00 0.00 H new ATOM 967 N GLN A 65 -19.522 9.633 2.286 1.00 0.00 N ATOM 968 CA GLN A 65 -19.754 8.194 2.239 1.00 0.00 C ATOM 969 C GLN A 65 -18.655 7.491 1.448 1.00 0.00 C ATOM 970 O GLN A 65 -18.123 6.468 1.879 1.00 0.00 O ATOM 971 CB GLN A 65 -21.118 7.896 1.615 1.00 0.00 C ATOM 972 CG GLN A 65 -21.362 8.629 0.306 1.00 0.00 C ATOM 973 CD GLN A 65 -21.328 7.706 -0.896 1.00 0.00 C ATOM 974 OE1 GLN A 65 -22.176 6.826 -1.041 1.00 0.00 O ATOM 975 NE2 GLN A 65 -20.345 7.903 -1.766 1.00 0.00 N ATOM 0 H GLN A 65 -20.275 10.195 1.889 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.740 7.816 3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.202 6.823 1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.900 8.167 2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -22.330 9.128 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.608 9.406 0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.663 8.645 -1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -20.271 7.313 -2.595 1.00 0.00 H new ATOM 984 N VAL A 66 -18.320 8.047 0.288 1.00 0.00 N ATOM 985 CA VAL A 66 -17.284 7.474 -0.563 1.00 0.00 C ATOM 986 C VAL A 66 -15.974 7.313 0.199 1.00 0.00 C ATOM 987 O VAL A 66 -15.320 6.272 0.117 1.00 0.00 O ATOM 988 CB VAL A 66 -17.037 8.345 -1.809 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.790 9.792 -1.410 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.868 7.800 -2.616 1.00 0.00 C ATOM 0 H VAL A 66 -18.751 8.893 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.640 6.493 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.929 8.313 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.618 10.392 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.660 10.176 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.915 9.847 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.707 8.427 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.969 7.800 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.089 6.781 -2.934 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.595 8.348 0.940 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.361 8.322 1.716 1.00 0.00 C ATOM 1002 C TYR A 67 -14.390 7.199 2.749 1.00 0.00 C ATOM 1003 O TYR A 67 -13.355 6.627 3.091 1.00 0.00 O ATOM 1004 CB TYR A 67 -14.145 9.666 2.414 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.407 10.677 1.566 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.153 10.388 1.040 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.962 11.920 1.291 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.474 11.309 0.265 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.291 12.846 0.516 1.00 0.00 C ATOM 1010 CZ TYR A 67 -12.047 12.536 0.005 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.375 13.456 -0.766 1.00 0.00 O ATOM 0 H TYR A 67 -16.125 9.216 1.020 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.534 8.139 1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.113 10.079 2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.587 9.502 3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.702 9.427 1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.935 12.167 1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.500 11.069 -0.135 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.738 13.808 0.311 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.021 14.016 -1.245 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.585 6.888 3.241 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.752 5.833 4.233 1.00 0.00 C ATOM 1023 C LYS A 68 -15.633 4.456 3.588 1.00 0.00 C ATOM 1024 O LYS A 68 -15.024 3.546 4.151 1.00 0.00 O ATOM 1025 CB LYS A 68 -17.110 5.967 4.926 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.336 7.328 5.562 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.294 7.249 7.079 1.00 0.00 C ATOM 1028 CE LYS A 68 -18.659 7.526 7.690 1.00 0.00 C ATOM 1029 NZ LYS A 68 -18.946 8.985 7.768 1.00 0.00 N ATOM 0 H LYS A 68 -16.452 7.352 2.969 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.960 5.937 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.900 5.779 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.194 5.198 5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.575 8.025 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.301 7.723 5.244 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.952 6.260 7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.570 7.968 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.429 7.036 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.704 7.093 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.885 9.132 8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.225 9.450 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.928 9.394 6.812 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.216 4.310 2.403 1.00 0.00 N ATOM 1044 CA LYS A 69 -16.174 3.045 1.679 1.00 0.00 C ATOM 1045 C LYS A 69 -14.743 2.693 1.282 1.00 0.00 C ATOM 1046 O LYS A 69 -14.398 1.520 1.141 1.00 0.00 O ATOM 1047 CB LYS A 69 -17.057 3.118 0.431 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.522 2.824 0.705 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.235 4.034 1.285 1.00 0.00 C ATOM 1050 CE LYS A 69 -20.730 3.789 1.417 1.00 0.00 C ATOM 1051 NZ LYS A 69 -21.171 3.807 2.840 1.00 0.00 N ATOM 0 H LYS A 69 -16.724 5.053 1.923 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.552 2.265 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.970 4.112 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.685 2.409 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -19.012 2.521 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.602 1.986 1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.816 4.270 2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.062 4.900 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.274 4.551 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.981 2.827 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -22.196 3.636 2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.671 3.063 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.954 4.734 3.259 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.915 3.717 1.106 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.521 3.516 0.728 1.00 0.00 C ATOM 1067 C LYS A 70 -11.697 3.042 1.921 1.00 0.00 C ATOM 1068 O LYS A 70 -10.742 2.280 1.766 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.931 4.814 0.170 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.547 5.244 -1.149 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.542 5.979 -2.021 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.234 6.842 -3.064 1.00 0.00 C ATOM 1073 NZ LYS A 70 -11.886 6.425 -4.450 1.00 0.00 N ATOM 0 H LYS A 70 -14.185 4.694 1.219 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.486 2.747 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.068 5.610 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.857 4.687 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.919 4.368 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.405 5.889 -0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.904 6.604 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.893 5.257 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.314 6.781 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.952 7.885 -2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.378 7.038 -5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.859 6.507 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.178 5.438 -4.599 1.00 0.00 H new ATOM 1087 N THR A 71 -12.072 3.497 3.113 1.00 0.00 N ATOM 1088 CA THR A 71 -11.369 3.119 4.331 1.00 0.00 C ATOM 1089 C THR A 71 -11.411 1.611 4.546 1.00 0.00 C ATOM 1090 O THR A 71 -10.371 0.956 4.620 1.00 0.00 O ATOM 1091 CB THR A 71 -11.968 3.819 5.566 1.00 0.00 C ATOM 1092 OG1 THR A 71 -12.566 5.062 5.182 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.899 4.068 6.619 1.00 0.00 C ATOM 0 H THR A 71 -12.860 4.128 3.260 1.00 0.00 H new ATOM 0 HA THR A 71 -10.333 3.437 4.209 1.00 0.00 H new ATOM 0 HB THR A 71 -12.730 3.166 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.031 5.804 5.533 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.346 4.563 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.467 3.117 6.930 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.117 4.703 6.201 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.619 1.065 4.644 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.795 -0.368 4.849 1.00 0.00 C ATOM 1103 C GLU A 72 -12.036 -1.166 3.794 1.00 0.00 C ATOM 1104 O GLU A 72 -11.530 -2.254 4.068 1.00 0.00 O ATOM 1105 CB GLU A 72 -14.281 -0.732 4.810 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.906 -0.592 3.432 1.00 0.00 C ATOM 1107 CD GLU A 72 -15.196 -1.932 2.784 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -14.236 -2.695 2.546 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -16.381 -2.217 2.515 1.00 0.00 O ATOM 0 H GLU A 72 -13.490 1.593 4.585 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.392 -0.621 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.404 -1.759 5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.821 -0.095 5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.833 -0.024 3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.237 -0.019 2.790 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.963 -0.618 2.585 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.265 -1.278 1.488 1.00 0.00 C ATOM 1118 C ALA A 73 -9.756 -1.097 1.610 1.00 0.00 C ATOM 1119 O ALA A 73 -8.982 -1.949 1.175 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.757 -0.742 0.152 1.00 0.00 C ATOM 0 H ALA A 73 -12.379 0.281 2.341 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.482 -2.345 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.228 -1.243 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.827 -0.929 0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.570 0.330 0.099 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.344 0.019 2.203 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.928 0.311 2.382 1.00 0.00 C ATOM 1128 C ALA A 74 -7.343 -0.498 3.536 1.00 0.00 C ATOM 1129 O ALA A 74 -6.361 -1.221 3.365 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.721 1.799 2.621 1.00 0.00 C ATOM 0 H ALA A 74 -9.972 0.736 2.568 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.405 0.025 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.658 2.002 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.094 2.360 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.262 2.102 3.517 1.00 0.00 H new ATOM 1136 N LYS A 75 -7.951 -0.370 4.710 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.491 -1.089 5.892 1.00 0.00 C ATOM 1138 C LYS A 75 -7.411 -2.588 5.621 1.00 0.00 C ATOM 1139 O LYS A 75 -6.439 -3.246 5.993 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.429 -0.824 7.072 1.00 0.00 C ATOM 1141 CG LYS A 75 -9.719 -1.623 7.016 1.00 0.00 C ATOM 1142 CD LYS A 75 -10.608 -1.332 8.214 1.00 0.00 C ATOM 1143 CE LYS A 75 -11.701 -2.379 8.363 1.00 0.00 C ATOM 1144 NZ LYS A 75 -11.268 -3.515 9.224 1.00 0.00 N ATOM 0 H LYS A 75 -8.764 0.225 4.869 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.493 -0.728 6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.907 -1.058 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.671 0.238 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.256 -1.385 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.487 -2.688 6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.002 -1.305 9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.059 -0.346 8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.590 -1.917 8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.980 -2.755 7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.041 -4.207 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.435 -3.972 8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.026 -3.160 10.171 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.437 -3.122 4.967 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.482 -4.543 4.643 1.00 0.00 C ATOM 1160 C LYS A 76 -7.239 -4.963 3.866 1.00 0.00 C ATOM 1161 O LYS A 76 -6.461 -5.797 4.328 1.00 0.00 O ATOM 1162 CB LYS A 76 -9.738 -4.861 3.827 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.817 -5.573 4.624 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.207 -5.127 4.204 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.112 -6.316 3.921 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.454 -7.061 5.164 1.00 0.00 N ATOM 0 H LYS A 76 -9.249 -2.592 4.651 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.511 -5.103 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.146 -3.933 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.460 -5.480 2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.722 -6.650 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.676 -5.375 5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.646 -4.513 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.136 -4.502 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.028 -5.969 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.619 -6.988 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.072 -7.864 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.582 -7.414 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.947 -6.427 5.824 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.058 -4.379 2.686 1.00 0.00 N ATOM 1181 CA GLU A 77 -5.908 -4.694 1.847 1.00 0.00 C ATOM 1182 C GLU A 77 -4.606 -4.536 2.627 1.00 0.00 C ATOM 1183 O GLU A 77 -3.711 -5.378 2.540 1.00 0.00 O ATOM 1184 CB GLU A 77 -5.888 -3.792 0.611 1.00 0.00 C ATOM 1185 CG GLU A 77 -4.986 -2.577 0.759 1.00 0.00 C ATOM 1186 CD GLU A 77 -4.877 -1.773 -0.522 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -4.724 -2.389 -1.598 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -4.944 -0.528 -0.449 1.00 0.00 O ATOM 0 H GLU A 77 -7.692 -3.686 2.290 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.997 -5.733 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.559 -4.375 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.903 -3.457 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.371 -1.938 1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.992 -2.902 1.065 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.507 -3.451 3.387 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.314 -3.180 4.180 1.00 0.00 C ATOM 1197 C TYR A 78 -2.892 -4.416 4.969 1.00 0.00 C ATOM 1198 O TYR A 78 -1.702 -4.663 5.169 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.566 -2.013 5.136 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.571 -1.935 6.272 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.204 -1.997 6.031 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.999 -1.799 7.587 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.293 -1.927 7.067 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -2.095 -1.727 8.629 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.743 -1.792 8.364 1.00 0.00 C ATOM 1206 OH TYR A 78 0.162 -1.721 9.398 1.00 0.00 O ATOM 0 H TYR A 78 -5.238 -2.745 3.471 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.507 -2.914 3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.536 -1.080 4.573 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.570 -2.103 5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.848 -2.102 5.017 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.057 -1.749 7.798 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.766 -1.978 6.863 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.445 -1.620 9.645 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.318 -1.626 10.247 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.875 -5.189 5.415 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.608 -6.401 6.182 1.00 0.00 C ATOM 1218 C LEU A 79 -3.075 -7.510 5.280 1.00 0.00 C ATOM 1219 O LEU A 79 -2.165 -8.249 5.658 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.880 -6.871 6.890 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.562 -5.845 7.796 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -7.008 -6.241 8.056 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -4.802 -5.702 9.106 1.00 0.00 C ATOM 0 H LEU A 79 -4.865 -4.998 5.259 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.849 -6.169 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.596 -7.190 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.636 -7.749 7.488 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.557 -4.880 7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.478 -5.500 8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.547 -6.291 7.110 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.036 -7.216 8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.302 -4.968 9.738 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.776 -6.664 9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.784 -5.372 8.902 1.00 0.00 H new