USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 446 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 SER OG : rot -140:sc= 0.664 USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -168:sc=-0.00501 (180deg=-0.194) USER MOD Single : A 30 LYS NZ :NH3+ -135:sc= -0.264 (180deg=-3.57!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.5) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0489 (180deg=-0.296) 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 57 MET CE :methyl 142:sc= -3.67! (180deg=-5.04!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= -0.0647 (180deg=-0.358) USER MOD Single : A 65 MET CE :methyl 136:sc= -0.323 (180deg=-1.28) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= -0.0378 (180deg=-0.265) USER MOD Single : A 73 SER OG : rot -123:sc= 1.21 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0726 USER MOD ----------------------------------------------------------------- ATOM 349 N LEU A 25 2.973 -9.027 -4.610 1.00 0.00 N ATOM 350 CA LEU A 25 4.115 -9.909 -4.790 1.00 0.00 C ATOM 351 C LEU A 25 4.539 -10.004 -6.259 1.00 0.00 C ATOM 352 O LEU A 25 5.665 -9.645 -6.603 1.00 0.00 O ATOM 353 CB LEU A 25 3.785 -11.304 -4.238 1.00 0.00 C ATOM 354 CG LEU A 25 4.963 -12.288 -4.129 1.00 0.00 C ATOM 355 CD1 LEU A 25 5.412 -12.772 -5.501 1.00 0.00 C ATOM 356 CD2 LEU A 25 6.126 -11.647 -3.384 1.00 0.00 C ATOM 0 HA LEU A 25 4.955 -9.487 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.345 -11.185 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.022 -11.752 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 25 4.620 -13.156 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.245 -13.465 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.584 -13.278 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.729 -11.919 -6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.950 -12.357 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.456 -10.758 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.805 -11.367 -2.381 1.00 0.00 H new ATOM 368 N LYS A 26 3.660 -10.529 -7.114 1.00 0.00 N ATOM 369 CA LYS A 26 3.997 -10.707 -8.529 1.00 0.00 C ATOM 370 C LYS A 26 3.598 -9.535 -9.438 1.00 0.00 C ATOM 371 O LYS A 26 4.461 -8.855 -9.993 1.00 0.00 O ATOM 372 CB LYS A 26 3.355 -11.996 -9.051 1.00 0.00 C ATOM 373 CG LYS A 26 3.694 -12.305 -10.501 1.00 0.00 C ATOM 374 CD LYS A 26 3.082 -13.623 -10.948 1.00 0.00 C ATOM 375 CE LYS A 26 3.447 -13.949 -12.388 1.00 0.00 C ATOM 376 NZ LYS A 26 2.953 -12.913 -13.337 1.00 0.00 N ATOM 0 H LYS A 26 2.721 -10.835 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 26 5.085 -10.758 -8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.676 -12.830 -8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.273 -11.919 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.332 -11.499 -11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.777 -12.346 -10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.426 -14.425 -10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.998 -13.574 -10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.530 -14.035 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.027 -14.918 -12.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.040 -13.265 -14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.955 -12.702 -13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.519 -12.047 -13.231 1.00 0.00 H new ATOM 390 N GLU A 27 2.292 -9.349 -9.642 1.00 0.00 N ATOM 391 CA GLU A 27 1.796 -8.310 -10.553 1.00 0.00 C ATOM 392 C GLU A 27 1.556 -6.949 -9.899 1.00 0.00 C ATOM 393 O GLU A 27 2.232 -5.973 -10.224 1.00 0.00 O ATOM 394 CB GLU A 27 0.504 -8.787 -11.216 1.00 0.00 C ATOM 395 CG GLU A 27 0.668 -10.063 -12.027 1.00 0.00 C ATOM 396 CD GLU A 27 1.591 -9.889 -13.219 1.00 0.00 C ATOM 397 OE1 GLU A 27 2.781 -9.573 -13.010 1.00 0.00 O ATOM 398 OE2 GLU A 27 1.122 -10.068 -14.362 1.00 0.00 O ATOM 0 H GLU A 27 1.561 -9.900 -9.192 1.00 0.00 H new ATOM 0 HA GLU A 27 2.588 -8.155 -11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.250 -8.951 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.128 -7.998 -11.868 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.060 -10.850 -11.382 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.310 -10.394 -12.376 1.00 0.00 H new ATOM 405 N LEU A 28 0.557 -6.884 -9.020 1.00 0.00 N ATOM 406 CA LEU A 28 0.175 -5.634 -8.355 1.00 0.00 C ATOM 407 C LEU A 28 1.379 -4.772 -7.984 1.00 0.00 C ATOM 408 O LEU A 28 1.309 -3.547 -8.045 1.00 0.00 O ATOM 409 CB LEU A 28 -0.665 -5.923 -7.106 1.00 0.00 C ATOM 410 CG LEU A 28 -2.106 -6.380 -7.365 1.00 0.00 C ATOM 411 CD1 LEU A 28 -2.854 -5.347 -8.194 1.00 0.00 C ATOM 412 CD2 LEU A 28 -2.135 -7.737 -8.053 1.00 0.00 C ATOM 0 H LEU A 28 -0.008 -7.689 -8.749 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.420 -5.069 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.160 -6.691 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.694 -5.022 -6.493 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.605 -6.479 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.874 -5.689 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.876 -4.398 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.349 -5.213 -9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.169 -8.036 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.613 -7.672 -9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.644 -8.476 -7.420 1.00 0.00 H new ATOM 424 N PHE A 29 2.474 -5.407 -7.597 1.00 0.00 N ATOM 425 CA PHE A 29 3.679 -4.682 -7.214 1.00 0.00 C ATOM 426 C PHE A 29 4.133 -3.737 -8.324 1.00 0.00 C ATOM 427 O PHE A 29 4.256 -2.530 -8.116 1.00 0.00 O ATOM 428 CB PHE A 29 4.794 -5.673 -6.889 1.00 0.00 C ATOM 429 CG PHE A 29 5.794 -5.165 -5.888 1.00 0.00 C ATOM 430 CD1 PHE A 29 5.432 -4.222 -4.935 1.00 0.00 C ATOM 431 CD2 PHE A 29 7.089 -5.651 -5.883 1.00 0.00 C ATOM 432 CE1 PHE A 29 6.345 -3.774 -4.002 1.00 0.00 C ATOM 433 CE2 PHE A 29 8.006 -5.205 -4.953 1.00 0.00 C ATOM 434 CZ PHE A 29 7.634 -4.265 -4.011 1.00 0.00 C ATOM 0 H PHE A 29 2.555 -6.422 -7.539 1.00 0.00 H new ATOM 0 HA PHE A 29 3.451 -4.083 -6.332 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.349 -6.592 -6.508 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.317 -5.930 -7.810 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.424 -3.835 -4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.386 -6.388 -6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.051 -3.040 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.015 -5.591 -4.961 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.351 -3.915 -3.283 1.00 0.00 H new ATOM 444 N LYS A 30 4.389 -4.302 -9.499 1.00 0.00 N ATOM 445 CA LYS A 30 4.843 -3.525 -10.650 1.00 0.00 C ATOM 446 C LYS A 30 3.727 -2.641 -11.209 1.00 0.00 C ATOM 447 O LYS A 30 3.992 -1.670 -11.918 1.00 0.00 O ATOM 448 CB LYS A 30 5.335 -4.466 -11.752 1.00 0.00 C ATOM 449 CG LYS A 30 6.321 -5.523 -11.275 1.00 0.00 C ATOM 450 CD LYS A 30 7.639 -4.913 -10.824 1.00 0.00 C ATOM 451 CE LYS A 30 8.620 -5.988 -10.384 1.00 0.00 C ATOM 452 NZ LYS A 30 9.936 -5.416 -9.989 1.00 0.00 N ATOM 0 H LYS A 30 4.290 -5.301 -9.681 1.00 0.00 H new ATOM 0 HA LYS A 30 5.656 -2.882 -10.313 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.475 -4.963 -12.200 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.806 -3.874 -12.537 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.880 -6.083 -10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.508 -6.234 -12.080 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.072 -4.333 -11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.460 -4.221 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.199 -6.541 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.764 -6.701 -11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.701 -5.983 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.005 -4.436 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.023 -5.429 -8.953 1.00 0.00 H new ATOM 466 N MET A 31 2.480 -2.995 -10.909 1.00 0.00 N ATOM 467 CA MET A 31 1.329 -2.244 -11.409 1.00 0.00 C ATOM 468 C MET A 31 0.947 -1.092 -10.484 1.00 0.00 C ATOM 469 O MET A 31 0.242 -0.170 -10.892 1.00 0.00 O ATOM 470 CB MET A 31 0.133 -3.178 -11.592 1.00 0.00 C ATOM 471 CG MET A 31 0.393 -4.306 -12.575 1.00 0.00 C ATOM 472 SD MET A 31 0.875 -3.704 -14.204 1.00 0.00 S ATOM 473 CE MET A 31 1.176 -5.251 -15.052 1.00 0.00 C ATOM 0 H MET A 31 2.240 -3.795 -10.324 1.00 0.00 H new ATOM 0 HA MET A 31 1.614 -1.815 -12.370 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.137 -3.603 -10.626 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.723 -2.597 -11.935 1.00 0.00 H new ATOM 0 HG2 MET A 31 1.179 -4.952 -12.183 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.505 -4.917 -12.668 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.484 -5.050 -16.078 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.964 -5.801 -14.537 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.263 -5.846 -15.058 1.00 0.00 H new ATOM 483 N ILE A 32 1.424 -1.138 -9.247 1.00 0.00 N ATOM 484 CA ILE A 32 1.136 -0.083 -8.283 1.00 0.00 C ATOM 485 C ILE A 32 2.246 0.947 -8.303 1.00 0.00 C ATOM 486 O ILE A 32 2.010 2.140 -8.497 1.00 0.00 O ATOM 487 CB ILE A 32 0.970 -0.634 -6.851 1.00 0.00 C ATOM 488 CG1 ILE A 32 -0.302 -1.482 -6.748 1.00 0.00 C ATOM 489 CG2 ILE A 32 0.942 0.503 -5.837 1.00 0.00 C ATOM 490 CD1 ILE A 32 -1.575 -0.716 -7.048 1.00 0.00 C ATOM 0 H ILE A 32 2.010 -1.892 -8.888 1.00 0.00 H new ATOM 0 HA ILE A 32 0.191 0.377 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 32 1.826 -1.269 -6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.224 -2.322 -7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.369 -1.899 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.824 0.093 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.875 1.063 -5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.106 1.167 -6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.432 -1.383 -6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.678 0.108 -6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.531 -0.321 -8.063 1.00 0.00 H new ATOM 502 N ASP A 33 3.463 0.462 -8.115 1.00 0.00 N ATOM 503 CA ASP A 33 4.635 1.311 -8.125 1.00 0.00 C ATOM 504 C ASP A 33 4.714 2.074 -9.441 1.00 0.00 C ATOM 505 O ASP A 33 5.035 1.503 -10.482 1.00 0.00 O ATOM 506 CB ASP A 33 5.888 0.456 -7.910 1.00 0.00 C ATOM 507 CG ASP A 33 7.177 1.227 -8.106 1.00 0.00 C ATOM 508 OD1 ASP A 33 7.311 2.321 -7.527 1.00 0.00 O ATOM 509 OD2 ASP A 33 8.062 0.722 -8.823 1.00 0.00 O ATOM 0 H ASP A 33 3.662 -0.525 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 33 4.567 2.038 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.869 0.042 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.868 -0.387 -8.601 1.00 0.00 H new ATOM 514 N THR A 34 4.402 3.366 -9.386 1.00 0.00 N ATOM 515 CA THR A 34 4.429 4.215 -10.571 1.00 0.00 C ATOM 516 C THR A 34 5.807 4.169 -11.198 1.00 0.00 C ATOM 517 O THR A 34 5.981 4.390 -12.396 1.00 0.00 O ATOM 518 CB THR A 34 4.085 5.650 -10.187 1.00 0.00 C ATOM 519 OG1 THR A 34 3.712 6.403 -11.328 1.00 0.00 O ATOM 520 CG2 THR A 34 5.223 6.387 -9.511 1.00 0.00 C ATOM 0 H THR A 34 4.127 3.848 -8.530 1.00 0.00 H new ATOM 0 HA THR A 34 3.694 3.852 -11.289 1.00 0.00 H new ATOM 0 HB THR A 34 3.260 5.561 -9.481 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.494 7.320 -11.058 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.906 7.401 -9.267 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.503 5.864 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.080 6.427 -10.183 1.00 0.00 H new ATOM 528 N ASP A 35 6.777 3.874 -10.354 1.00 0.00 N ATOM 529 CA ASP A 35 8.165 3.782 -10.769 1.00 0.00 C ATOM 530 C ASP A 35 8.410 2.477 -11.499 1.00 0.00 C ATOM 531 O ASP A 35 9.335 2.371 -12.304 1.00 0.00 O ATOM 532 CB ASP A 35 9.089 3.891 -9.554 1.00 0.00 C ATOM 533 CG ASP A 35 10.554 4.008 -9.934 1.00 0.00 C ATOM 534 OD1 ASP A 35 10.854 4.079 -11.145 1.00 0.00 O ATOM 535 OD2 ASP A 35 11.402 4.039 -9.018 1.00 0.00 O ATOM 0 H ASP A 35 6.626 3.691 -9.362 1.00 0.00 H new ATOM 0 HA ASP A 35 8.381 4.607 -11.448 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.802 4.760 -8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.952 3.015 -8.920 1.00 0.00 H new ATOM 540 N ASN A 36 7.581 1.478 -11.208 1.00 0.00 N ATOM 541 CA ASN A 36 7.727 0.174 -11.836 1.00 0.00 C ATOM 542 C ASN A 36 9.150 -0.337 -11.651 1.00 0.00 C ATOM 543 O ASN A 36 9.584 -1.262 -12.338 1.00 0.00 O ATOM 544 CB ASN A 36 7.389 0.255 -13.327 1.00 0.00 C ATOM 545 CG ASN A 36 5.961 0.699 -13.575 1.00 0.00 C ATOM 546 OD1 ASN A 36 5.557 1.788 -13.169 1.00 0.00 O ATOM 547 ND2 ASN A 36 5.187 -0.147 -14.246 1.00 0.00 N ATOM 0 H ASN A 36 6.808 1.548 -10.546 1.00 0.00 H new ATOM 0 HA ASN A 36 7.034 -0.520 -11.360 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.072 0.951 -13.814 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.548 -0.721 -13.786 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.216 0.096 -14.443 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.563 -1.040 -14.564 1.00 0.00 H new ATOM 554 N SER A 37 9.871 0.270 -10.708 1.00 0.00 N ATOM 555 CA SER A 37 11.240 -0.127 -10.423 1.00 0.00 C ATOM 556 C SER A 37 11.231 -1.401 -9.604 1.00 0.00 C ATOM 557 O SER A 37 12.223 -2.126 -9.534 1.00 0.00 O ATOM 558 CB SER A 37 11.975 0.984 -9.670 1.00 0.00 C ATOM 559 OG SER A 37 11.307 1.314 -8.463 1.00 0.00 O ATOM 0 H SER A 37 9.525 1.037 -10.132 1.00 0.00 H new ATOM 0 HA SER A 37 11.764 -0.304 -11.362 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.994 0.665 -9.450 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.048 1.869 -10.302 1.00 0.00 H new ATOM 0 HG SER A 37 11.331 2.285 -8.331 1.00 0.00 H new ATOM 565 N GLY A 38 10.086 -1.663 -8.989 1.00 0.00 N ATOM 566 CA GLY A 38 9.934 -2.854 -8.174 1.00 0.00 C ATOM 567 C GLY A 38 9.888 -2.538 -6.696 1.00 0.00 C ATOM 568 O GLY A 38 10.029 -3.428 -5.861 1.00 0.00 O ATOM 0 H GLY A 38 9.257 -1.071 -9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.019 -3.373 -8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.762 -3.535 -8.372 1.00 0.00 H new ATOM 572 N THR A 39 9.688 -1.264 -6.381 1.00 0.00 N ATOM 573 CA THR A 39 9.616 -0.806 -4.999 1.00 0.00 C ATOM 574 C THR A 39 8.854 0.511 -4.921 1.00 0.00 C ATOM 575 O THR A 39 8.982 1.358 -5.804 1.00 0.00 O ATOM 576 CB THR A 39 11.018 -0.626 -4.415 1.00 0.00 C ATOM 577 OG1 THR A 39 11.828 0.147 -5.281 1.00 0.00 O ATOM 578 CG2 THR A 39 11.739 -1.929 -4.145 1.00 0.00 C ATOM 0 H THR A 39 9.572 -0.523 -7.072 1.00 0.00 H new ATOM 0 HA THR A 39 9.089 -1.562 -4.416 1.00 0.00 H new ATOM 0 HB THR A 39 10.864 -0.120 -3.462 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.720 0.252 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.726 -1.720 -3.732 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.165 -2.521 -3.432 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.846 -2.486 -5.076 1.00 0.00 H new ATOM 586 N ILE A 40 8.062 0.683 -3.869 1.00 0.00 N ATOM 587 CA ILE A 40 7.286 1.905 -3.703 1.00 0.00 C ATOM 588 C ILE A 40 7.907 2.806 -2.639 1.00 0.00 C ATOM 589 O ILE A 40 8.438 2.323 -1.640 1.00 0.00 O ATOM 590 CB ILE A 40 5.828 1.585 -3.313 1.00 0.00 C ATOM 591 CG1 ILE A 40 5.138 0.821 -4.444 1.00 0.00 C ATOM 592 CG2 ILE A 40 5.067 2.864 -2.988 1.00 0.00 C ATOM 593 CD1 ILE A 40 3.843 0.158 -4.029 1.00 0.00 C ATOM 0 H ILE A 40 7.941 -0.003 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 40 7.292 2.427 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 40 5.835 0.958 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.937 1.509 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.819 0.060 -4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.041 2.618 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.551 3.374 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.064 3.517 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.412 -0.364 -4.883 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.040 -0.556 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.143 0.915 -3.676 1.00 0.00 H new ATOM 605 N THR A 41 7.841 4.116 -2.861 1.00 0.00 N ATOM 606 CA THR A 41 8.402 5.076 -1.916 1.00 0.00 C ATOM 607 C THR A 41 7.434 6.224 -1.653 1.00 0.00 C ATOM 608 O THR A 41 6.709 6.647 -2.544 1.00 0.00 O ATOM 609 CB THR A 41 9.727 5.624 -2.448 1.00 0.00 C ATOM 610 OG1 THR A 41 9.535 6.286 -3.686 1.00 0.00 O ATOM 611 CG2 THR A 41 10.774 4.551 -2.658 1.00 0.00 C ATOM 0 H THR A 41 7.407 4.535 -3.683 1.00 0.00 H new ATOM 0 HA THR A 41 8.577 4.557 -0.974 1.00 0.00 H new ATOM 0 HB THR A 41 10.084 6.314 -1.684 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.394 6.631 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.690 5.005 -3.036 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.980 4.054 -1.710 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.407 3.820 -3.379 1.00 0.00 H new ATOM 619 N PHE A 42 7.439 6.716 -0.416 1.00 0.00 N ATOM 620 CA PHE A 42 6.581 7.814 0.013 1.00 0.00 C ATOM 621 C PHE A 42 6.355 8.844 -1.095 1.00 0.00 C ATOM 622 O PHE A 42 5.233 9.313 -1.288 1.00 0.00 O ATOM 623 CB PHE A 42 7.212 8.490 1.229 1.00 0.00 C ATOM 624 CG PHE A 42 6.470 9.704 1.691 1.00 0.00 C ATOM 625 CD1 PHE A 42 5.131 9.626 2.024 1.00 0.00 C ATOM 626 CD2 PHE A 42 7.114 10.923 1.788 1.00 0.00 C ATOM 627 CE1 PHE A 42 4.445 10.744 2.445 1.00 0.00 C ATOM 628 CE2 PHE A 42 6.434 12.046 2.207 1.00 0.00 C ATOM 629 CZ PHE A 42 5.096 11.959 2.538 1.00 0.00 C ATOM 0 H PHE A 42 8.045 6.359 0.323 1.00 0.00 H new ATOM 0 HA PHE A 42 5.606 7.399 0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 42 7.263 7.772 2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 42 8.237 8.771 0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.617 8.679 1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.161 10.996 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.399 10.671 2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.947 12.994 2.277 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.561 12.837 2.868 1.00 0.00 H new ATOM 639 N ASP A 43 7.421 9.196 -1.812 1.00 0.00 N ATOM 640 CA ASP A 43 7.327 10.174 -2.894 1.00 0.00 C ATOM 641 C ASP A 43 6.157 9.848 -3.817 1.00 0.00 C ATOM 642 O ASP A 43 5.334 10.711 -4.125 1.00 0.00 O ATOM 643 CB ASP A 43 8.631 10.206 -3.695 1.00 0.00 C ATOM 644 CG ASP A 43 8.630 11.273 -4.774 1.00 0.00 C ATOM 645 OD1 ASP A 43 7.635 12.022 -4.874 1.00 0.00 O ATOM 646 OD2 ASP A 43 9.630 11.365 -5.517 1.00 0.00 O ATOM 0 H ASP A 43 8.357 8.820 -1.664 1.00 0.00 H new ATOM 0 HA ASP A 43 7.157 11.156 -2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.465 10.383 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.794 9.231 -4.154 1.00 0.00 H new ATOM 651 N GLU A 44 6.088 8.594 -4.246 1.00 0.00 N ATOM 652 CA GLU A 44 5.019 8.139 -5.126 1.00 0.00 C ATOM 653 C GLU A 44 3.804 7.704 -4.312 1.00 0.00 C ATOM 654 O GLU A 44 2.664 7.855 -4.751 1.00 0.00 O ATOM 655 CB GLU A 44 5.509 6.974 -5.988 1.00 0.00 C ATOM 656 CG GLU A 44 5.841 5.729 -5.185 1.00 0.00 C ATOM 657 CD GLU A 44 6.326 4.588 -6.052 1.00 0.00 C ATOM 658 OE1 GLU A 44 7.377 4.747 -6.710 1.00 0.00 O ATOM 659 OE2 GLU A 44 5.654 3.535 -6.073 1.00 0.00 O ATOM 0 H GLU A 44 6.763 7.871 -3.997 1.00 0.00 H new ATOM 0 HA GLU A 44 4.729 8.967 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.744 6.729 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.394 7.288 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.606 5.971 -4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.956 5.410 -4.634 1.00 0.00 H new ATOM 666 N LEU A 45 4.066 7.153 -3.126 1.00 0.00 N ATOM 667 CA LEU A 45 3.013 6.678 -2.234 1.00 0.00 C ATOM 668 C LEU A 45 1.857 7.671 -2.156 1.00 0.00 C ATOM 669 O LEU A 45 0.726 7.354 -2.526 1.00 0.00 O ATOM 670 CB LEU A 45 3.570 6.435 -0.831 1.00 0.00 C ATOM 671 CG LEU A 45 2.565 5.860 0.170 1.00 0.00 C ATOM 672 CD1 LEU A 45 2.150 4.452 -0.235 1.00 0.00 C ATOM 673 CD2 LEU A 45 3.149 5.866 1.574 1.00 0.00 C ATOM 0 H LEU A 45 5.009 7.025 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 45 2.637 5.741 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.417 5.753 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.952 7.378 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 45 1.676 6.491 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.435 4.061 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.689 4.478 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.029 3.807 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.421 5.454 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.055 5.260 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.391 6.889 1.863 1.00 0.00 H new ATOM 685 N LYS A 46 2.152 8.870 -1.660 1.00 0.00 N ATOM 686 CA LYS A 46 1.147 9.919 -1.515 1.00 0.00 C ATOM 687 C LYS A 46 0.345 10.121 -2.799 1.00 0.00 C ATOM 688 O LYS A 46 -0.880 10.064 -2.779 1.00 0.00 O ATOM 689 CB LYS A 46 1.814 11.233 -1.097 1.00 0.00 C ATOM 690 CG LYS A 46 2.940 11.671 -2.023 1.00 0.00 C ATOM 691 CD LYS A 46 3.572 12.977 -1.564 1.00 0.00 C ATOM 692 CE LYS A 46 2.574 14.125 -1.592 1.00 0.00 C ATOM 693 NZ LYS A 46 2.023 14.350 -2.958 1.00 0.00 N ATOM 0 H LYS A 46 3.085 9.140 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 46 0.450 9.603 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.059 12.018 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.208 11.124 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.702 10.892 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.553 11.790 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.961 12.857 -0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.420 13.216 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.757 13.913 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.059 15.036 -1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.525 15.263 -2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.800 14.359 -3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.358 13.586 -3.194 1.00 0.00 H new ATOM 707 N ASP A 47 1.040 10.360 -3.908 1.00 0.00 N ATOM 708 CA ASP A 47 0.395 10.580 -5.201 1.00 0.00 C ATOM 709 C ASP A 47 -0.358 9.339 -5.667 1.00 0.00 C ATOM 710 O ASP A 47 -1.199 9.412 -6.563 1.00 0.00 O ATOM 711 CB ASP A 47 1.435 10.977 -6.250 1.00 0.00 C ATOM 712 CG ASP A 47 2.161 12.258 -5.890 1.00 0.00 C ATOM 713 OD1 ASP A 47 1.487 13.298 -5.734 1.00 0.00 O ATOM 714 OD2 ASP A 47 3.403 12.222 -5.766 1.00 0.00 O ATOM 0 H ASP A 47 2.059 10.407 -3.937 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.325 11.389 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.160 10.171 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.944 11.100 -7.215 1.00 0.00 H new ATOM 719 N GLY A 48 -0.056 8.204 -5.050 1.00 0.00 N ATOM 720 CA GLY A 48 -0.718 6.966 -5.411 1.00 0.00 C ATOM 721 C GLY A 48 -2.124 6.931 -4.874 1.00 0.00 C ATOM 722 O GLY A 48 -3.065 6.557 -5.574 1.00 0.00 O ATOM 0 H GLY A 48 0.636 8.119 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.736 6.862 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.154 6.120 -5.019 1.00 0.00 H new ATOM 726 N LEU A 49 -2.263 7.354 -3.627 1.00 0.00 N ATOM 727 CA LEU A 49 -3.556 7.409 -2.979 1.00 0.00 C ATOM 728 C LEU A 49 -4.187 8.767 -3.245 1.00 0.00 C ATOM 729 O LEU A 49 -5.398 8.942 -3.127 1.00 0.00 O ATOM 730 CB LEU A 49 -3.406 7.183 -1.474 1.00 0.00 C ATOM 731 CG LEU A 49 -4.716 6.972 -0.717 1.00 0.00 C ATOM 732 CD1 LEU A 49 -5.426 5.728 -1.228 1.00 0.00 C ATOM 733 CD2 LEU A 49 -4.457 6.866 0.778 1.00 0.00 C ATOM 0 H LEU A 49 -1.487 7.666 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.196 6.624 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.768 6.314 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.889 8.041 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.361 7.833 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.358 5.590 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.643 5.843 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.786 4.858 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.401 6.716 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.796 6.022 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.988 7.784 1.132 1.00 0.00 H new ATOM 745 N LYS A 50 -3.340 9.722 -3.620 1.00 0.00 N ATOM 746 CA LYS A 50 -3.788 11.073 -3.922 1.00 0.00 C ATOM 747 C LYS A 50 -4.387 11.122 -5.318 1.00 0.00 C ATOM 748 O LYS A 50 -5.235 11.964 -5.615 1.00 0.00 O ATOM 749 CB LYS A 50 -2.630 12.070 -3.814 1.00 0.00 C ATOM 750 CG LYS A 50 -3.038 13.516 -4.059 1.00 0.00 C ATOM 751 CD LYS A 50 -4.063 13.989 -3.040 1.00 0.00 C ATOM 752 CE LYS A 50 -4.453 15.440 -3.272 1.00 0.00 C ATOM 753 NZ LYS A 50 -5.460 15.910 -2.279 1.00 0.00 N ATOM 0 H LYS A 50 -2.335 9.581 -3.722 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.550 11.352 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.186 11.991 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.857 11.794 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.157 14.156 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.451 13.613 -5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.951 13.359 -3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.656 13.877 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.564 16.069 -3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.856 15.551 -4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.700 16.904 -2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.318 15.327 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.066 15.828 -1.320 1.00 0.00 H new ATOM 767 N ARG A 51 -3.933 10.204 -6.166 1.00 0.00 N ATOM 768 CA ARG A 51 -4.414 10.113 -7.541 1.00 0.00 C ATOM 769 C ARG A 51 -5.939 10.188 -7.596 1.00 0.00 C ATOM 770 O ARG A 51 -6.510 10.669 -8.575 1.00 0.00 O ATOM 771 CB ARG A 51 -3.936 8.804 -8.174 1.00 0.00 C ATOM 772 CG ARG A 51 -4.397 8.598 -9.612 1.00 0.00 C ATOM 773 CD ARG A 51 -3.672 9.517 -10.587 1.00 0.00 C ATOM 774 NE ARG A 51 -4.008 10.924 -10.386 1.00 0.00 N ATOM 775 CZ ARG A 51 -3.522 11.912 -11.132 1.00 0.00 C ATOM 776 NH1 ARG A 51 -2.687 11.646 -12.128 1.00 0.00 N ATOM 777 NH2 ARG A 51 -3.874 13.166 -10.886 1.00 0.00 N ATOM 0 H ARG A 51 -3.228 9.508 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.010 10.957 -8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.847 8.777 -8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.291 7.970 -7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.229 7.560 -9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.470 8.777 -9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.596 9.384 -10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.924 9.229 -11.608 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.651 11.162 -9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.416 10.682 -12.323 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.316 12.405 -12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.519 13.375 -10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.500 13.922 -11.459 1.00 0.00 H new ATOM 791 N VAL A 52 -6.594 9.711 -6.538 1.00 0.00 N ATOM 792 CA VAL A 52 -8.052 9.728 -6.472 1.00 0.00 C ATOM 793 C VAL A 52 -8.563 11.022 -5.843 1.00 0.00 C ATOM 794 O VAL A 52 -9.639 11.508 -6.194 1.00 0.00 O ATOM 795 CB VAL A 52 -8.600 8.525 -5.677 1.00 0.00 C ATOM 796 CG1 VAL A 52 -8.130 7.217 -6.297 1.00 0.00 C ATOM 797 CG2 VAL A 52 -8.188 8.609 -4.215 1.00 0.00 C ATOM 0 H VAL A 52 -6.139 9.310 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.412 9.663 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.689 8.553 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.526 6.379 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.486 7.153 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.041 7.181 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.586 7.750 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.100 8.611 -4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.582 9.527 -3.778 1.00 0.00 H new ATOM 807 N GLY A 53 -7.781 11.583 -4.922 1.00 0.00 N ATOM 808 CA GLY A 53 -8.171 12.824 -4.274 1.00 0.00 C ATOM 809 C GLY A 53 -9.496 12.718 -3.543 1.00 0.00 C ATOM 810 O GLY A 53 -10.375 13.560 -3.725 1.00 0.00 O ATOM 0 H GLY A 53 -6.887 11.201 -4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.395 13.119 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.237 13.614 -5.023 1.00 0.00 H new ATOM 814 N SER A 54 -9.647 11.683 -2.721 1.00 0.00 N ATOM 815 CA SER A 54 -10.883 11.484 -1.975 1.00 0.00 C ATOM 816 C SER A 54 -10.925 12.385 -0.742 1.00 0.00 C ATOM 817 O SER A 54 -11.248 13.569 -0.839 1.00 0.00 O ATOM 818 CB SER A 54 -11.026 10.016 -1.567 1.00 0.00 C ATOM 819 OG SER A 54 -12.232 9.798 -0.855 1.00 0.00 O ATOM 0 H SER A 54 -8.933 10.974 -2.556 1.00 0.00 H new ATOM 0 HA SER A 54 -11.719 11.752 -2.621 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.006 9.385 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.177 9.723 -0.949 1.00 0.00 H new ATOM 0 HG SER A 54 -12.299 8.852 -0.608 1.00 0.00 H new ATOM 825 N GLU A 55 -10.592 11.819 0.414 1.00 0.00 N ATOM 826 CA GLU A 55 -10.586 12.565 1.667 1.00 0.00 C ATOM 827 C GLU A 55 -9.399 12.140 2.523 1.00 0.00 C ATOM 828 O GLU A 55 -9.560 11.741 3.677 1.00 0.00 O ATOM 829 CB GLU A 55 -11.892 12.329 2.428 1.00 0.00 C ATOM 830 CG GLU A 55 -13.121 12.888 1.729 1.00 0.00 C ATOM 831 CD GLU A 55 -13.074 14.396 1.577 1.00 0.00 C ATOM 832 OE1 GLU A 55 -12.958 15.092 2.608 1.00 0.00 O ATOM 833 OE2 GLU A 55 -13.158 14.881 0.430 1.00 0.00 O ATOM 0 H GLU A 55 -10.321 10.840 0.508 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.497 13.628 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.026 11.258 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.812 12.780 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.213 12.431 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.012 12.612 2.293 1.00 0.00 H new ATOM 840 N LEU A 56 -8.207 12.212 1.941 1.00 0.00 N ATOM 841 CA LEU A 56 -6.991 11.816 2.638 1.00 0.00 C ATOM 842 C LEU A 56 -6.177 13.008 3.114 1.00 0.00 C ATOM 843 O LEU A 56 -6.367 14.138 2.662 1.00 0.00 O ATOM 844 CB LEU A 56 -6.125 10.938 1.732 1.00 0.00 C ATOM 845 CG LEU A 56 -5.989 11.413 0.280 1.00 0.00 C ATOM 846 CD1 LEU A 56 -5.249 12.741 0.198 1.00 0.00 C ATOM 847 CD2 LEU A 56 -5.276 10.360 -0.549 1.00 0.00 C ATOM 0 H LEU A 56 -8.058 12.541 0.987 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.301 11.255 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.128 10.870 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.541 9.930 1.728 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.991 11.565 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.170 13.050 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.796 13.498 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.250 12.628 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.185 10.707 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.283 10.183 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.848 9.432 -0.529 1.00 0.00 H new ATOM 859 N MET A 57 -5.249 12.726 4.018 1.00 0.00 N ATOM 860 CA MET A 57 -4.363 13.739 4.561 1.00 0.00 C ATOM 861 C MET A 57 -2.913 13.294 4.396 1.00 0.00 C ATOM 862 O MET A 57 -2.517 12.236 4.885 1.00 0.00 O ATOM 863 CB MET A 57 -4.689 14.005 6.034 1.00 0.00 C ATOM 864 CG MET A 57 -4.654 12.761 6.907 1.00 0.00 C ATOM 865 SD MET A 57 -5.217 13.077 8.592 1.00 0.00 S ATOM 866 CE MET A 57 -4.048 14.328 9.117 1.00 0.00 C ATOM 0 H MET A 57 -5.092 11.791 4.393 1.00 0.00 H new ATOM 0 HA MET A 57 -4.508 14.671 4.014 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.979 14.733 6.427 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.679 14.456 6.101 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.279 11.989 6.458 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.637 12.370 6.935 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.559 15.068 9.733 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.251 13.861 9.696 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.621 14.818 8.242 1.00 0.00 H new ATOM 876 N GLU A 58 -2.135 14.100 3.686 1.00 0.00 N ATOM 877 CA GLU A 58 -0.728 13.798 3.429 1.00 0.00 C ATOM 878 C GLU A 58 0.047 13.562 4.725 1.00 0.00 C ATOM 879 O GLU A 58 1.201 13.135 4.698 1.00 0.00 O ATOM 880 CB GLU A 58 -0.082 14.937 2.640 1.00 0.00 C ATOM 881 CG GLU A 58 -0.751 15.206 1.303 1.00 0.00 C ATOM 882 CD GLU A 58 -0.116 16.363 0.556 1.00 0.00 C ATOM 883 OE1 GLU A 58 -0.106 17.487 1.101 1.00 0.00 O ATOM 884 OE2 GLU A 58 0.373 16.144 -0.572 1.00 0.00 O ATOM 0 H GLU A 58 -2.456 14.976 3.273 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.690 12.879 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.111 15.846 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.968 14.700 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.698 14.308 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.807 15.419 1.466 1.00 0.00 H new ATOM 891 N SER A 59 -0.588 13.855 5.854 1.00 0.00 N ATOM 892 CA SER A 59 0.048 13.688 7.158 1.00 0.00 C ATOM 893 C SER A 59 0.106 12.219 7.563 1.00 0.00 C ATOM 894 O SER A 59 1.004 11.803 8.297 1.00 0.00 O ATOM 895 CB SER A 59 -0.701 14.492 8.222 1.00 0.00 C ATOM 896 OG SER A 59 -0.084 14.359 9.491 1.00 0.00 O ATOM 0 H SER A 59 -1.543 14.210 5.894 1.00 0.00 H new ATOM 0 HA SER A 59 1.069 14.060 7.079 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.728 15.543 7.936 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.735 14.151 8.279 1.00 0.00 H new ATOM 0 HG SER A 59 -0.581 14.884 10.153 1.00 0.00 H new ATOM 902 N GLU A 60 -0.854 11.438 7.083 1.00 0.00 N ATOM 903 CA GLU A 60 -0.910 10.018 7.396 1.00 0.00 C ATOM 904 C GLU A 60 -0.114 9.206 6.385 1.00 0.00 C ATOM 905 O GLU A 60 0.237 8.057 6.642 1.00 0.00 O ATOM 906 CB GLU A 60 -2.362 9.540 7.426 1.00 0.00 C ATOM 907 CG GLU A 60 -3.195 10.183 8.524 1.00 0.00 C ATOM 908 CD GLU A 60 -2.700 9.844 9.919 1.00 0.00 C ATOM 909 OE1 GLU A 60 -1.740 9.054 10.038 1.00 0.00 O ATOM 910 OE2 GLU A 60 -3.281 10.365 10.895 1.00 0.00 O ATOM 0 H GLU A 60 -1.605 11.766 6.475 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.466 9.870 8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.824 9.750 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.376 8.458 7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.185 11.265 8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.231 9.859 8.423 1.00 0.00 H new ATOM 917 N ILE A 61 0.171 9.810 5.236 1.00 0.00 N ATOM 918 CA ILE A 61 0.929 9.138 4.188 1.00 0.00 C ATOM 919 C ILE A 61 2.382 8.943 4.612 1.00 0.00 C ATOM 920 O ILE A 61 2.978 7.898 4.351 1.00 0.00 O ATOM 921 CB ILE A 61 0.890 9.928 2.866 1.00 0.00 C ATOM 922 CG1 ILE A 61 -0.556 10.248 2.473 1.00 0.00 C ATOM 923 CG2 ILE A 61 1.583 9.142 1.761 1.00 0.00 C ATOM 924 CD1 ILE A 61 -1.427 9.022 2.284 1.00 0.00 C ATOM 0 H ILE A 61 -0.112 10.763 5.007 1.00 0.00 H new ATOM 0 HA ILE A 61 0.462 8.166 4.029 1.00 0.00 H new ATOM 0 HB ILE A 61 1.422 10.869 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.999 10.881 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.552 10.825 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.548 9.712 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.622 8.963 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.076 8.188 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.435 9.331 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.009 8.397 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.464 8.455 3.214 1.00 0.00 H new ATOM 936 N LYS A 62 2.945 9.954 5.271 1.00 0.00 N ATOM 937 CA LYS A 62 4.328 9.887 5.733 1.00 0.00 C ATOM 938 C LYS A 62 4.437 8.998 6.965 1.00 0.00 C ATOM 939 O LYS A 62 5.478 8.391 7.219 1.00 0.00 O ATOM 940 CB LYS A 62 4.865 11.296 6.028 1.00 0.00 C ATOM 941 CG LYS A 62 4.104 12.053 7.111 1.00 0.00 C ATOM 942 CD LYS A 62 4.532 11.634 8.510 1.00 0.00 C ATOM 943 CE LYS A 62 3.852 12.476 9.578 1.00 0.00 C ATOM 944 NZ LYS A 62 4.204 13.918 9.453 1.00 0.00 N ATOM 0 H LYS A 62 2.466 10.826 5.496 1.00 0.00 H new ATOM 0 HA LYS A 62 4.936 9.449 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.911 11.217 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.839 11.880 5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.268 13.124 6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.035 11.878 6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.290 10.583 8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.614 11.730 8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.771 12.358 9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.142 12.115 10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.970 14.410 10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.222 14.012 9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.666 14.340 8.670 1.00 0.00 H new ATOM 958 N ASP A 63 3.349 8.922 7.722 1.00 0.00 N ATOM 959 CA ASP A 63 3.305 8.102 8.925 1.00 0.00 C ATOM 960 C ASP A 63 2.917 6.671 8.570 1.00 0.00 C ATOM 961 O ASP A 63 3.152 5.740 9.339 1.00 0.00 O ATOM 962 CB ASP A 63 2.311 8.695 9.929 1.00 0.00 C ATOM 963 CG ASP A 63 2.284 7.943 11.247 1.00 0.00 C ATOM 964 OD1 ASP A 63 1.875 6.764 11.254 1.00 0.00 O ATOM 965 OD2 ASP A 63 2.675 8.536 12.274 1.00 0.00 O ATOM 0 H ASP A 63 2.482 9.421 7.522 1.00 0.00 H new ATOM 0 HA ASP A 63 4.294 8.089 9.382 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.569 9.737 10.116 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.313 8.688 9.492 1.00 0.00 H new ATOM 970 N LEU A 64 2.327 6.508 7.389 1.00 0.00 N ATOM 971 CA LEU A 64 1.907 5.196 6.917 1.00 0.00 C ATOM 972 C LEU A 64 3.102 4.415 6.385 1.00 0.00 C ATOM 973 O LEU A 64 3.262 3.233 6.678 1.00 0.00 O ATOM 974 CB LEU A 64 0.848 5.339 5.821 1.00 0.00 C ATOM 975 CG LEU A 64 0.217 4.026 5.348 1.00 0.00 C ATOM 976 CD1 LEU A 64 -0.541 3.355 6.483 1.00 0.00 C ATOM 977 CD2 LEU A 64 -0.704 4.274 4.163 1.00 0.00 C ATOM 0 H LEU A 64 2.130 7.271 6.742 1.00 0.00 H new ATOM 0 HA LEU A 64 1.476 4.650 7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.056 5.993 6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.301 5.836 4.963 1.00 0.00 H new ATOM 0 HG LEU A 64 1.016 3.357 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.982 2.424 6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.145 3.141 7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.331 4.018 6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.144 3.330 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.497 4.962 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.132 4.708 3.342 1.00 0.00 H new ATOM 989 N MET A 65 3.941 5.087 5.603 1.00 0.00 N ATOM 990 CA MET A 65 5.124 4.456 5.031 1.00 0.00 C ATOM 991 C MET A 65 6.194 4.238 6.094 1.00 0.00 C ATOM 992 O MET A 65 7.097 3.419 5.923 1.00 0.00 O ATOM 993 CB MET A 65 5.678 5.298 3.875 1.00 0.00 C ATOM 994 CG MET A 65 5.984 6.746 4.238 1.00 0.00 C ATOM 995 SD MET A 65 7.439 6.924 5.290 1.00 0.00 S ATOM 996 CE MET A 65 8.708 6.222 4.238 1.00 0.00 C ATOM 0 H MET A 65 3.823 6.068 5.351 1.00 0.00 H new ATOM 0 HA MET A 65 4.831 3.481 4.640 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.590 4.829 3.505 1.00 0.00 H new ATOM 0 HB3 MET A 65 4.959 5.286 3.056 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.133 7.319 3.323 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.121 7.176 4.747 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.595 6.854 4.267 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.963 5.223 4.592 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.339 6.161 3.214 1.00 0.00 H new ATOM 1006 N ASP A 66 6.085 4.978 7.193 1.00 0.00 N ATOM 1007 CA ASP A 66 7.043 4.868 8.287 1.00 0.00 C ATOM 1008 C ASP A 66 6.673 3.716 9.218 1.00 0.00 C ATOM 1009 O ASP A 66 7.541 2.979 9.686 1.00 0.00 O ATOM 1010 CB ASP A 66 7.099 6.181 9.072 1.00 0.00 C ATOM 1011 CG ASP A 66 8.166 6.174 10.152 1.00 0.00 C ATOM 1012 OD1 ASP A 66 8.908 5.174 10.252 1.00 0.00 O ATOM 1013 OD2 ASP A 66 8.263 7.174 10.894 1.00 0.00 O ATOM 0 H ASP A 66 5.343 5.660 7.349 1.00 0.00 H new ATOM 0 HA ASP A 66 8.026 4.664 7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.291 7.003 8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.127 6.368 9.529 1.00 0.00 H new ATOM 1018 N ALA A 67 5.379 3.567 9.483 1.00 0.00 N ATOM 1019 CA ALA A 67 4.893 2.507 10.359 1.00 0.00 C ATOM 1020 C ALA A 67 4.818 1.173 9.624 1.00 0.00 C ATOM 1021 O ALA A 67 5.265 0.146 10.135 1.00 0.00 O ATOM 1022 CB ALA A 67 3.530 2.876 10.924 1.00 0.00 C ATOM 0 H ALA A 67 4.647 4.168 9.103 1.00 0.00 H new ATOM 0 HA ALA A 67 5.601 2.398 11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.178 2.077 11.576 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.611 3.801 11.495 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.823 3.015 10.106 1.00 0.00 H new ATOM 1028 N ALA A 68 4.246 1.196 8.425 1.00 0.00 N ATOM 1029 CA ALA A 68 4.107 -0.010 7.617 1.00 0.00 C ATOM 1030 C ALA A 68 5.467 -0.628 7.309 1.00 0.00 C ATOM 1031 O ALA A 68 5.696 -1.809 7.571 1.00 0.00 O ATOM 1032 CB ALA A 68 3.361 0.302 6.328 1.00 0.00 C ATOM 0 H ALA A 68 3.870 2.039 7.990 1.00 0.00 H new ATOM 0 HA ALA A 68 3.531 -0.736 8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.264 -0.607 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.369 0.687 6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.914 1.050 5.759 1.00 0.00 H new ATOM 1038 N ASP A 69 6.367 0.178 6.755 1.00 0.00 N ATOM 1039 CA ASP A 69 7.705 -0.292 6.417 1.00 0.00 C ATOM 1040 C ASP A 69 8.618 -0.237 7.634 1.00 0.00 C ATOM 1041 O ASP A 69 8.922 0.837 8.152 1.00 0.00 O ATOM 1042 CB ASP A 69 8.287 0.534 5.273 1.00 0.00 C ATOM 1043 CG ASP A 69 9.729 0.178 4.975 1.00 0.00 C ATOM 1044 OD1 ASP A 69 10.599 0.443 5.830 1.00 0.00 O ATOM 1045 OD2 ASP A 69 9.986 -0.374 3.890 1.00 0.00 O ATOM 0 H ASP A 69 6.194 1.158 6.531 1.00 0.00 H new ATOM 0 HA ASP A 69 7.632 -1.330 6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.686 0.381 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.222 1.593 5.524 1.00 0.00 H new ATOM 1050 N ILE A 70 9.046 -1.408 8.081 1.00 0.00 N ATOM 1051 CA ILE A 70 9.921 -1.519 9.237 1.00 0.00 C ATOM 1052 C ILE A 70 11.378 -1.354 8.836 1.00 0.00 C ATOM 1053 O ILE A 70 12.231 -1.044 9.669 1.00 0.00 O ATOM 1054 CB ILE A 70 9.734 -2.871 9.951 1.00 0.00 C ATOM 1055 CG1 ILE A 70 10.546 -2.913 11.251 1.00 0.00 C ATOM 1056 CG2 ILE A 70 10.136 -4.011 9.030 1.00 0.00 C ATOM 1057 CD1 ILE A 70 10.366 -4.193 12.041 1.00 0.00 C ATOM 0 H ILE A 70 8.799 -2.302 7.656 1.00 0.00 H new ATOM 0 HA ILE A 70 9.649 -0.718 9.925 1.00 0.00 H new ATOM 0 HB ILE A 70 8.681 -2.986 10.206 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.602 -2.789 11.013 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.259 -2.067 11.876 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.999 -4.961 9.546 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.515 -3.992 8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.183 -3.899 8.748 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.971 -4.150 12.947 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.316 -4.310 12.311 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.681 -5.042 11.435 1.00 0.00 H new ATOM 1069 N ASP A 71 11.663 -1.567 7.554 1.00 0.00 N ATOM 1070 CA ASP A 71 13.025 -1.445 7.059 1.00 0.00 C ATOM 1071 C ASP A 71 13.514 -0.009 7.210 1.00 0.00 C ATOM 1072 O ASP A 71 14.700 0.271 7.037 1.00 0.00 O ATOM 1073 CB ASP A 71 13.106 -1.893 5.599 1.00 0.00 C ATOM 1074 CG ASP A 71 14.535 -2.092 5.134 1.00 0.00 C ATOM 1075 OD1 ASP A 71 15.276 -2.845 5.801 1.00 0.00 O ATOM 1076 OD2 ASP A 71 14.910 -1.509 4.097 1.00 0.00 O ATOM 0 H ASP A 71 10.974 -1.823 6.847 1.00 0.00 H new ATOM 0 HA ASP A 71 13.671 -2.094 7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.554 -2.825 5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.621 -1.150 4.966 1.00 0.00 H new ATOM 1081 N LYS A 72 12.578 0.890 7.542 1.00 0.00 N ATOM 1082 CA LYS A 72 12.869 2.314 7.736 1.00 0.00 C ATOM 1083 C LYS A 72 13.861 2.829 6.703 1.00 0.00 C ATOM 1084 O LYS A 72 14.599 3.782 6.954 1.00 0.00 O ATOM 1085 CB LYS A 72 13.407 2.576 9.144 1.00 0.00 C ATOM 1086 CG LYS A 72 14.683 1.819 9.464 1.00 0.00 C ATOM 1087 CD LYS A 72 15.614 2.653 10.321 1.00 0.00 C ATOM 1088 CE LYS A 72 16.880 1.891 10.679 1.00 0.00 C ATOM 1089 NZ LYS A 72 16.586 0.661 11.466 1.00 0.00 N ATOM 0 H LYS A 72 11.597 0.649 7.683 1.00 0.00 H new ATOM 0 HA LYS A 72 11.930 2.852 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.591 3.644 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.642 2.304 9.871 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.439 0.892 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.187 1.542 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.877 3.567 9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.099 2.952 11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.410 1.619 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.543 2.539 11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.465 0.301 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.905 0.885 12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.182 -0.064 10.839 1.00 0.00 H new ATOM 1103 N SER A 73 13.876 2.189 5.546 1.00 0.00 N ATOM 1104 CA SER A 73 14.786 2.578 4.473 1.00 0.00 C ATOM 1105 C SER A 73 14.143 3.606 3.550 1.00 0.00 C ATOM 1106 O SER A 73 14.762 4.062 2.588 1.00 0.00 O ATOM 1107 CB SER A 73 15.210 1.354 3.663 1.00 0.00 C ATOM 1108 OG SER A 73 14.094 0.744 3.039 1.00 0.00 O ATOM 0 H SER A 73 13.271 1.399 5.322 1.00 0.00 H new ATOM 0 HA SER A 73 15.666 3.028 4.932 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.937 1.649 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.703 0.635 4.317 1.00 0.00 H new ATOM 0 HG SER A 73 14.032 -0.192 3.323 1.00 0.00 H new ATOM 1114 N GLY A 74 12.897 3.960 3.840 1.00 0.00 N ATOM 1115 CA GLY A 74 12.192 4.924 3.014 1.00 0.00 C ATOM 1116 C GLY A 74 11.475 4.252 1.864 1.00 0.00 C ATOM 1117 O GLY A 74 10.549 4.816 1.279 1.00 0.00 O ATOM 0 H GLY A 74 12.363 3.598 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.472 5.469 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.899 5.657 2.625 1.00 0.00 H new ATOM 1121 N THR A 75 11.900 3.033 1.554 1.00 0.00 N ATOM 1122 CA THR A 75 11.297 2.253 0.482 1.00 0.00 C ATOM 1123 C THR A 75 10.552 1.068 1.081 1.00 0.00 C ATOM 1124 O THR A 75 11.115 0.324 1.880 1.00 0.00 O ATOM 1125 CB THR A 75 12.377 1.770 -0.485 1.00 0.00 C ATOM 1126 OG1 THR A 75 13.055 2.869 -1.066 1.00 0.00 O ATOM 1127 CG2 THR A 75 11.839 0.917 -1.609 1.00 0.00 C ATOM 0 H THR A 75 12.666 2.561 2.035 1.00 0.00 H new ATOM 0 HA THR A 75 10.594 2.875 -0.071 1.00 0.00 H new ATOM 0 HB THR A 75 13.051 1.161 0.117 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.744 2.540 -1.681 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.660 0.609 -2.257 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.353 0.034 -1.195 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.116 1.492 -2.188 1.00 0.00 H new ATOM 1135 N ILE A 76 9.282 0.913 0.720 1.00 0.00 N ATOM 1136 CA ILE A 76 8.470 -0.167 1.268 1.00 0.00 C ATOM 1137 C ILE A 76 8.040 -1.187 0.218 1.00 0.00 C ATOM 1138 O ILE A 76 7.886 -0.869 -0.965 1.00 0.00 O ATOM 1139 CB ILE A 76 7.207 0.392 1.956 1.00 0.00 C ATOM 1140 CG1 ILE A 76 6.428 -0.730 2.650 1.00 0.00 C ATOM 1141 CG2 ILE A 76 6.324 1.106 0.940 1.00 0.00 C ATOM 1142 CD1 ILE A 76 5.203 -0.247 3.398 1.00 0.00 C ATOM 0 H ILE A 76 8.796 1.516 0.056 1.00 0.00 H new ATOM 0 HA ILE A 76 9.106 -0.676 1.992 1.00 0.00 H new ATOM 0 HB ILE A 76 7.517 1.111 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.122 -1.463 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.090 -1.243 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.437 1.495 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.879 1.930 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.024 0.404 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.703 -1.096 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.504 0.464 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.520 0.240 2.702 1.00 0.00 H new ATOM 1154 N ASP A 77 7.825 -2.413 0.690 1.00 0.00 N ATOM 1155 CA ASP A 77 7.379 -3.514 -0.155 1.00 0.00 C ATOM 1156 C ASP A 77 6.193 -4.213 0.509 1.00 0.00 C ATOM 1157 O ASP A 77 6.045 -4.159 1.730 1.00 0.00 O ATOM 1158 CB ASP A 77 8.516 -4.513 -0.388 1.00 0.00 C ATOM 1159 CG ASP A 77 9.716 -3.882 -1.068 1.00 0.00 C ATOM 1160 OD1 ASP A 77 10.289 -2.929 -0.498 1.00 0.00 O ATOM 1161 OD2 ASP A 77 10.086 -4.343 -2.168 1.00 0.00 O ATOM 0 H ASP A 77 7.955 -2.669 1.669 1.00 0.00 H new ATOM 0 HA ASP A 77 7.073 -3.116 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.825 -4.935 0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.150 -5.339 -0.998 1.00 0.00 H new ATOM 1166 N TYR A 78 5.347 -4.862 -0.285 1.00 0.00 N ATOM 1167 CA TYR A 78 4.183 -5.553 0.268 1.00 0.00 C ATOM 1168 C TYR A 78 4.604 -6.796 1.047 1.00 0.00 C ATOM 1169 O TYR A 78 3.852 -7.301 1.878 1.00 0.00 O ATOM 1170 CB TYR A 78 3.184 -5.942 -0.834 1.00 0.00 C ATOM 1171 CG TYR A 78 2.427 -4.774 -1.435 1.00 0.00 C ATOM 1172 CD1 TYR A 78 3.077 -3.604 -1.815 1.00 0.00 C ATOM 1173 CD2 TYR A 78 1.051 -4.846 -1.622 1.00 0.00 C ATOM 1174 CE1 TYR A 78 2.378 -2.545 -2.363 1.00 0.00 C ATOM 1175 CE2 TYR A 78 0.347 -3.792 -2.170 1.00 0.00 C ATOM 1176 CZ TYR A 78 1.014 -2.644 -2.538 1.00 0.00 C ATOM 1177 OH TYR A 78 0.316 -1.591 -3.084 1.00 0.00 O ATOM 0 H TYR A 78 5.441 -4.925 -1.299 1.00 0.00 H new ATOM 0 HA TYR A 78 3.691 -4.859 0.950 1.00 0.00 H new ATOM 0 HB2 TYR A 78 3.722 -6.458 -1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.466 -6.651 -0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.145 -3.522 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.523 -5.743 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 78 2.898 -1.644 -2.653 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.721 -3.867 -2.309 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.635 -1.823 -3.140 1.00 0.00 H new ATOM 1187 N GLY A 79 5.805 -7.287 0.768 1.00 0.00 N ATOM 1188 CA GLY A 79 6.298 -8.477 1.443 1.00 0.00 C ATOM 1189 C GLY A 79 6.926 -8.198 2.800 1.00 0.00 C ATOM 1190 O GLY A 79 6.998 -9.093 3.644 1.00 0.00 O ATOM 0 H GLY A 79 6.448 -6.884 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.473 -9.178 1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.035 -8.966 0.806 1.00 0.00 H new ATOM 1194 N GLU A 80 7.395 -6.971 3.013 1.00 0.00 N ATOM 1195 CA GLU A 80 8.030 -6.612 4.281 1.00 0.00 C ATOM 1196 C GLU A 80 7.007 -6.125 5.305 1.00 0.00 C ATOM 1197 O GLU A 80 7.140 -6.394 6.500 1.00 0.00 O ATOM 1198 CB GLU A 80 9.109 -5.550 4.058 1.00 0.00 C ATOM 1199 CG GLU A 80 8.594 -4.245 3.481 1.00 0.00 C ATOM 1200 CD GLU A 80 9.688 -3.203 3.369 1.00 0.00 C ATOM 1201 OE1 GLU A 80 10.289 -2.864 4.409 1.00 0.00 O ATOM 1202 OE2 GLU A 80 9.949 -2.731 2.243 1.00 0.00 O ATOM 0 H GLU A 80 7.349 -6.214 2.331 1.00 0.00 H new ATOM 0 HA GLU A 80 8.497 -7.511 4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.601 -5.344 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.867 -5.955 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.166 -4.428 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.791 -3.862 4.111 1.00 0.00 H new ATOM 1209 N PHE A 81 5.995 -5.407 4.832 1.00 0.00 N ATOM 1210 CA PHE A 81 4.944 -4.875 5.698 1.00 0.00 C ATOM 1211 C PHE A 81 4.389 -5.936 6.658 1.00 0.00 C ATOM 1212 O PHE A 81 3.839 -5.600 7.708 1.00 0.00 O ATOM 1213 CB PHE A 81 3.807 -4.309 4.838 1.00 0.00 C ATOM 1214 CG PHE A 81 2.606 -3.855 5.622 1.00 0.00 C ATOM 1215 CD1 PHE A 81 2.748 -3.025 6.723 1.00 0.00 C ATOM 1216 CD2 PHE A 81 1.334 -4.262 5.254 1.00 0.00 C ATOM 1217 CE1 PHE A 81 1.643 -2.610 7.442 1.00 0.00 C ATOM 1218 CE2 PHE A 81 0.226 -3.850 5.968 1.00 0.00 C ATOM 1219 CZ PHE A 81 0.380 -3.023 7.064 1.00 0.00 C ATOM 0 H PHE A 81 5.878 -5.177 3.845 1.00 0.00 H new ATOM 0 HA PHE A 81 5.386 -4.085 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.189 -3.467 4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.494 -5.070 4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.733 -2.699 7.022 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.207 -4.909 4.399 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.767 -1.964 8.298 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.760 -4.174 5.670 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.485 -2.700 7.624 1.00 0.00 H new ATOM 1229 N ILE A 82 4.514 -7.210 6.294 1.00 0.00 N ATOM 1230 CA ILE A 82 3.993 -8.291 7.131 1.00 0.00 C ATOM 1231 C ILE A 82 4.992 -8.749 8.196 1.00 0.00 C ATOM 1232 O ILE A 82 4.769 -8.542 9.389 1.00 0.00 O ATOM 1233 CB ILE A 82 3.564 -9.511 6.283 1.00 0.00 C ATOM 1234 CG1 ILE A 82 2.324 -9.180 5.445 1.00 0.00 C ATOM 1235 CG2 ILE A 82 3.289 -10.714 7.174 1.00 0.00 C ATOM 1236 CD1 ILE A 82 2.559 -8.127 4.385 1.00 0.00 C ATOM 0 H ILE A 82 4.967 -7.519 5.434 1.00 0.00 H new ATOM 0 HA ILE A 82 3.122 -7.875 7.637 1.00 0.00 H new ATOM 0 HB ILE A 82 4.383 -9.758 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.970 -10.092 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.529 -8.841 6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.989 -11.562 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.192 -10.970 7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.489 -10.473 7.874 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.634 -7.950 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.883 -7.200 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.330 -8.471 3.695 1.00 0.00 H new