USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= -0.124 K(o=-0.3,f=-1.1) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.173 K(o=-0.3,f=-2.8!) USER MOD Set 2.1: A 52 CYS SG : rot 69:sc= -0.457 USER MOD Set 2.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 32 SER OG : rot 172:sc= 1.27 USER MOD Set 3.2: A 55 GLN : amide:sc= 1.02 X(o=2.3,f=1.9) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= 1.28 (180deg=1.15) USER MOD Single : A 29 GLN : amide:sc= 0.704 K(o=0.7,f=-6.4!) USER MOD Single : A 31 SER OG : rot -50:sc= 0.924 USER MOD Single : A 35 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.013) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 165:sc= -0.184 (180deg=-0.674) USER MOD Single : A 41 THR OG1 : rot 71:sc= 0.677 USER MOD Single : A 42 THR OG1 : rot 170:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -147:sc= 1.28 (180deg=1.09) USER MOD Single : A 50 SER OG : rot 97:sc= 1.17 USER MOD Single : A 51 TYR OH : rot 30:sc= -0.239 USER MOD Single : A 53 GLN : amide:sc= -0.761 X(o=-0.76,f=-0.65) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.573 K(o=0.57,f=-0.017) USER MOD Single : A 75 HIS : no HD1:sc= 0.336 K(o=0.34,f=-4!) USER MOD Single : A 76 THR OG1 : rot 165:sc= 0.271 USER MOD Single : A 78 LYS NZ :NH3+ -136:sc= 1.3 (180deg=-0.481) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -94:sc= 1.29 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 80.398 9.786 -11.537 1.00 0.00 N ATOM 291 CA TYR A 21 80.095 8.360 -11.417 1.00 0.00 C ATOM 292 C TYR A 21 78.755 8.145 -10.717 1.00 0.00 C ATOM 293 O TYR A 21 78.327 8.966 -9.904 1.00 0.00 O ATOM 294 CB TYR A 21 81.208 7.613 -10.659 1.00 0.00 C ATOM 295 CG TYR A 21 82.072 8.490 -9.772 1.00 0.00 C ATOM 296 CD1 TYR A 21 81.563 9.053 -8.606 1.00 0.00 C ATOM 297 CD2 TYR A 21 83.397 8.746 -10.100 1.00 0.00 C ATOM 298 CE1 TYR A 21 82.349 9.849 -7.795 1.00 0.00 C ATOM 299 CE2 TYR A 21 84.190 9.540 -9.292 1.00 0.00 C ATOM 300 CZ TYR A 21 83.664 10.089 -8.144 1.00 0.00 C ATOM 301 OH TYR A 21 84.451 10.884 -7.342 1.00 0.00 O ATOM 0 HA TYR A 21 80.034 7.954 -12.427 1.00 0.00 H new ATOM 0 HB2 TYR A 21 80.752 6.836 -10.045 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.848 7.111 -11.384 1.00 0.00 H new ATOM 0 HD1 TYR A 21 80.536 8.865 -8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 21 83.814 8.318 -11.000 1.00 0.00 H new ATOM 0 HE1 TYR A 21 81.938 10.281 -6.894 1.00 0.00 H new ATOM 0 HE2 TYR A 21 85.219 9.729 -9.561 1.00 0.00 H new ATOM 0 HH TYR A 21 85.349 10.951 -7.728 1.00 0.00 H new ATOM 311 N ILE A 22 78.098 7.039 -11.043 1.00 0.00 N ATOM 312 CA ILE A 22 76.803 6.714 -10.453 1.00 0.00 C ATOM 313 C ILE A 22 76.967 5.736 -9.292 1.00 0.00 C ATOM 314 O ILE A 22 77.584 4.680 -9.437 1.00 0.00 O ATOM 315 CB ILE A 22 75.829 6.110 -11.494 1.00 0.00 C ATOM 316 CG1 ILE A 22 76.257 6.470 -12.929 1.00 0.00 C ATOM 317 CG2 ILE A 22 74.411 6.586 -11.220 1.00 0.00 C ATOM 318 CD1 ILE A 22 75.882 7.877 -13.357 1.00 0.00 C ATOM 0 H ILE A 22 78.440 6.350 -11.713 1.00 0.00 H new ATOM 0 HA ILE A 22 76.380 7.649 -10.087 1.00 0.00 H new ATOM 0 HB ILE A 22 75.859 5.024 -11.402 1.00 0.00 H new ATOM 0 HG12 ILE A 22 77.337 6.353 -13.014 1.00 0.00 H new ATOM 0 HG13 ILE A 22 75.804 5.759 -13.620 1.00 0.00 H new ATOM 0 HG21 ILE A 22 73.734 6.156 -11.958 1.00 0.00 H new ATOM 0 HG22 ILE A 22 74.108 6.271 -10.222 1.00 0.00 H new ATOM 0 HG23 ILE A 22 74.373 7.673 -11.284 1.00 0.00 H new ATOM 0 HD11 ILE A 22 76.220 8.049 -14.379 1.00 0.00 H new ATOM 0 HD12 ILE A 22 74.800 7.996 -13.308 1.00 0.00 H new ATOM 0 HD13 ILE A 22 76.357 8.598 -12.692 1.00 0.00 H new ATOM 330 N LYS A 23 76.409 6.092 -8.140 1.00 0.00 N ATOM 331 CA LYS A 23 76.502 5.250 -6.949 1.00 0.00 C ATOM 332 C LYS A 23 75.467 4.121 -6.968 1.00 0.00 C ATOM 333 O LYS A 23 74.369 4.259 -6.427 1.00 0.00 O ATOM 334 CB LYS A 23 76.324 6.098 -5.683 1.00 0.00 C ATOM 335 CG LYS A 23 77.085 7.414 -5.710 1.00 0.00 C ATOM 336 CD LYS A 23 76.403 8.468 -4.853 1.00 0.00 C ATOM 337 CE LYS A 23 77.291 9.687 -4.656 1.00 0.00 C ATOM 338 NZ LYS A 23 76.494 10.918 -4.395 1.00 0.00 N ATOM 0 H LYS A 23 75.887 6.958 -8.004 1.00 0.00 H new ATOM 0 HA LYS A 23 77.493 4.796 -6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 23 75.263 6.306 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.651 5.518 -4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 23 78.102 7.255 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 23 77.160 7.771 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 23 75.467 8.771 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 23 76.149 8.041 -3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 23 77.970 9.511 -3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 23 77.907 9.835 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 77.136 11.726 -4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 75.864 11.101 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 75.925 10.787 -3.534 1.00 0.00 H new ATOM 352 N LEU A 24 75.833 3.000 -7.585 1.00 0.00 N ATOM 353 CA LEU A 24 74.944 1.840 -7.668 1.00 0.00 C ATOM 354 C LEU A 24 75.002 1.024 -6.376 1.00 0.00 C ATOM 355 O LEU A 24 76.068 0.867 -5.780 1.00 0.00 O ATOM 356 CB LEU A 24 75.327 0.962 -8.863 1.00 0.00 C ATOM 357 CG LEU A 24 74.466 1.154 -10.113 1.00 0.00 C ATOM 358 CD1 LEU A 24 75.248 1.881 -11.195 1.00 0.00 C ATOM 359 CD2 LEU A 24 73.963 -0.188 -10.624 1.00 0.00 C ATOM 0 H LEU A 24 76.739 2.869 -8.035 1.00 0.00 H new ATOM 0 HA LEU A 24 73.924 2.198 -7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.366 1.162 -9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 24 75.270 -0.083 -8.559 1.00 0.00 H new ATOM 0 HG LEU A 24 73.604 1.765 -9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.619 2.008 -12.076 1.00 0.00 H new ATOM 0 HD12 LEU A 24 75.557 2.859 -10.826 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.130 1.298 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 24 73.352 -0.033 -11.513 1.00 0.00 H new ATOM 0 HD22 LEU A 24 74.812 -0.824 -10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 24 73.363 -0.670 -9.852 1.00 0.00 H new ATOM 371 N LYS A 25 73.857 0.507 -5.945 1.00 0.00 N ATOM 372 CA LYS A 25 73.798 -0.270 -4.710 1.00 0.00 C ATOM 373 C LYS A 25 73.243 -1.678 -4.934 1.00 0.00 C ATOM 374 O LYS A 25 72.250 -1.868 -5.635 1.00 0.00 O ATOM 375 CB LYS A 25 72.952 0.468 -3.669 1.00 0.00 C ATOM 376 CG LYS A 25 73.245 0.052 -2.237 1.00 0.00 C ATOM 377 CD LYS A 25 72.100 0.412 -1.306 1.00 0.00 C ATOM 378 CE LYS A 25 72.577 1.258 -0.136 1.00 0.00 C ATOM 379 NZ LYS A 25 71.543 1.363 0.931 1.00 0.00 N ATOM 0 H LYS A 25 72.964 0.610 -6.427 1.00 0.00 H new ATOM 0 HA LYS A 25 74.819 -0.380 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 25 73.123 1.540 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 25 71.897 0.292 -3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 25 73.422 -1.023 -2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.159 0.538 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 25 71.336 0.955 -1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 25 71.634 -0.499 -0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 25 73.485 0.823 0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 25 72.835 2.256 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 71.644 2.273 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 70.596 1.303 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 71.666 0.586 1.611 1.00 0.00 H new ATOM 393 N VAL A 26 73.907 -2.659 -4.332 1.00 0.00 N ATOM 394 CA VAL A 26 73.495 -4.058 -4.429 1.00 0.00 C ATOM 395 C VAL A 26 73.197 -4.621 -3.035 1.00 0.00 C ATOM 396 O VAL A 26 73.959 -4.390 -2.093 1.00 0.00 O ATOM 397 CB VAL A 26 74.581 -4.927 -5.110 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.076 -6.341 -5.349 1.00 0.00 C ATOM 399 CG2 VAL A 26 75.034 -4.299 -6.421 1.00 0.00 C ATOM 0 H VAL A 26 74.742 -2.510 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 26 72.594 -4.091 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 26 75.437 -4.978 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 26 74.858 -6.930 -5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 26 73.810 -6.798 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.198 -6.310 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.797 -4.927 -6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.182 -4.210 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.448 -3.309 -6.227 1.00 0.00 H new ATOM 409 N ILE A 27 72.090 -5.353 -2.903 1.00 0.00 N ATOM 410 CA ILE A 27 71.703 -5.929 -1.613 1.00 0.00 C ATOM 411 C ILE A 27 71.878 -7.452 -1.597 1.00 0.00 C ATOM 412 O ILE A 27 71.288 -8.166 -2.413 1.00 0.00 O ATOM 413 CB ILE A 27 70.234 -5.586 -1.249 1.00 0.00 C ATOM 414 CG1 ILE A 27 70.021 -4.066 -1.177 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.845 -6.230 0.076 1.00 0.00 C ATOM 416 CD1 ILE A 27 68.564 -3.660 -1.227 1.00 0.00 C ATOM 0 H ILE A 27 71.448 -5.561 -3.668 1.00 0.00 H new ATOM 0 HA ILE A 27 72.367 -5.486 -0.870 1.00 0.00 H new ATOM 0 HB ILE A 27 69.595 -5.985 -2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 27 70.464 -3.688 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 27 70.551 -3.593 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.812 -5.978 0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 27 69.945 -7.313 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.499 -5.861 0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 27 68.487 -2.574 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 27 68.121 -4.008 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 27 68.033 -4.105 -0.385 1.00 0.00 H new ATOM 428 N GLY A 28 72.692 -7.940 -0.663 1.00 0.00 N ATOM 429 CA GLY A 28 72.930 -9.373 -0.545 1.00 0.00 C ATOM 430 C GLY A 28 72.042 -10.038 0.499 1.00 0.00 C ATOM 431 O GLY A 28 71.408 -9.360 1.310 1.00 0.00 O ATOM 0 H GLY A 28 73.193 -7.368 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 28 72.760 -9.845 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 28 73.975 -9.542 -0.287 1.00 0.00 H new ATOM 435 N GLN A 29 72.011 -11.372 0.488 1.00 0.00 N ATOM 436 CA GLN A 29 71.185 -12.145 1.436 1.00 0.00 C ATOM 437 C GLN A 29 71.637 -11.960 2.890 1.00 0.00 C ATOM 438 O GLN A 29 70.827 -12.056 3.810 1.00 0.00 O ATOM 439 CB GLN A 29 71.201 -13.641 1.094 1.00 0.00 C ATOM 440 CG GLN A 29 70.746 -13.949 -0.323 1.00 0.00 C ATOM 441 CD GLN A 29 69.352 -14.545 -0.368 1.00 0.00 C ATOM 442 OE1 GLN A 29 69.150 -15.645 -0.878 1.00 0.00 O ATOM 443 NE2 GLN A 29 68.377 -13.822 0.158 1.00 0.00 N ATOM 0 H GLN A 29 72.546 -11.945 -0.164 1.00 0.00 H new ATOM 0 HA GLN A 29 70.171 -11.757 1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 29 72.211 -14.026 1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 29 70.558 -14.172 1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 29 70.766 -13.034 -0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 29 71.449 -14.642 -0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 29 68.583 -12.913 0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 29 67.420 -14.173 0.149 1.00 0.00 H new ATOM 452 N ASP A 30 72.924 -11.692 3.094 1.00 0.00 N ATOM 453 CA ASP A 30 73.463 -11.507 4.442 1.00 0.00 C ATOM 454 C ASP A 30 73.288 -10.062 4.933 1.00 0.00 C ATOM 455 O ASP A 30 74.055 -9.594 5.777 1.00 0.00 O ATOM 456 CB ASP A 30 74.944 -11.895 4.469 1.00 0.00 C ATOM 457 CG ASP A 30 75.329 -12.630 5.741 1.00 0.00 C ATOM 458 OD1 ASP A 30 74.433 -13.218 6.383 1.00 0.00 O ATOM 459 OD2 ASP A 30 76.528 -12.621 6.091 1.00 0.00 O ATOM 0 H ASP A 30 73.612 -11.598 2.347 1.00 0.00 H new ATOM 0 HA ASP A 30 72.903 -12.155 5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.167 -12.525 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.554 -10.996 4.374 1.00 0.00 H new ATOM 464 N SER A 31 72.274 -9.370 4.398 1.00 0.00 N ATOM 465 CA SER A 31 71.982 -7.976 4.767 1.00 0.00 C ATOM 466 C SER A 31 73.163 -7.054 4.448 1.00 0.00 C ATOM 467 O SER A 31 73.368 -6.030 5.106 1.00 0.00 O ATOM 468 CB SER A 31 71.609 -7.870 6.251 1.00 0.00 C ATOM 469 OG SER A 31 71.248 -6.544 6.596 1.00 0.00 O ATOM 0 H SER A 31 71.636 -9.756 3.702 1.00 0.00 H new ATOM 0 HA SER A 31 71.130 -7.651 4.170 1.00 0.00 H new ATOM 0 HB2 SER A 31 70.780 -8.544 6.469 1.00 0.00 H new ATOM 0 HB3 SER A 31 72.451 -8.191 6.864 1.00 0.00 H new ATOM 0 HG SER A 31 71.938 -5.924 6.280 1.00 0.00 H new ATOM 475 N SER A 32 73.928 -7.415 3.425 1.00 0.00 N ATOM 476 CA SER A 32 75.089 -6.631 3.019 1.00 0.00 C ATOM 477 C SER A 32 74.732 -5.632 1.924 1.00 0.00 C ATOM 478 O SER A 32 74.289 -6.010 0.839 1.00 0.00 O ATOM 479 CB SER A 32 76.210 -7.555 2.532 1.00 0.00 C ATOM 480 OG SER A 32 75.688 -8.753 1.976 1.00 0.00 O ATOM 0 H SER A 32 73.765 -8.248 2.860 1.00 0.00 H new ATOM 0 HA SER A 32 75.432 -6.073 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.812 -7.037 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 32 76.872 -7.796 3.364 1.00 0.00 H new ATOM 0 HG SER A 32 76.412 -9.260 1.552 1.00 0.00 H new ATOM 486 N GLU A 33 74.921 -4.351 2.222 1.00 0.00 N ATOM 487 CA GLU A 33 74.635 -3.285 1.265 1.00 0.00 C ATOM 488 C GLU A 33 75.935 -2.607 0.833 1.00 0.00 C ATOM 489 O GLU A 33 76.563 -1.895 1.615 1.00 0.00 O ATOM 490 CB GLU A 33 73.683 -2.245 1.872 1.00 0.00 C ATOM 491 CG GLU A 33 72.690 -2.820 2.877 1.00 0.00 C ATOM 492 CD GLU A 33 71.470 -1.937 3.070 1.00 0.00 C ATOM 493 OE1 GLU A 33 71.316 -0.952 2.312 1.00 0.00 O ATOM 494 OE2 GLU A 33 70.666 -2.228 3.981 1.00 0.00 O ATOM 0 H GLU A 33 75.272 -4.024 3.122 1.00 0.00 H new ATOM 0 HA GLU A 33 74.152 -3.729 0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.273 -1.471 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 33 73.130 -1.761 1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.370 -3.806 2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 33 73.189 -2.957 3.836 1.00 0.00 H new ATOM 501 N ILE A 34 76.339 -2.834 -0.413 1.00 0.00 N ATOM 502 CA ILE A 34 77.577 -2.246 -0.924 1.00 0.00 C ATOM 503 C ILE A 34 77.305 -1.193 -1.997 1.00 0.00 C ATOM 504 O ILE A 34 76.484 -1.396 -2.893 1.00 0.00 O ATOM 505 CB ILE A 34 78.529 -3.321 -1.502 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.317 -4.671 -0.804 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.976 -2.869 -1.357 1.00 0.00 C ATOM 508 CD1 ILE A 34 79.130 -5.802 -1.400 1.00 0.00 C ATOM 0 H ILE A 34 75.835 -3.414 -1.083 1.00 0.00 H new ATOM 0 HA ILE A 34 78.058 -1.768 -0.071 1.00 0.00 H new ATOM 0 HB ILE A 34 78.303 -3.449 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 34 78.573 -4.568 0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 34 77.260 -4.932 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.638 -3.632 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 34 80.121 -1.934 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.206 -2.717 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 34 78.927 -6.723 -0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 34 78.858 -5.933 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 34 80.191 -5.564 -1.328 1.00 0.00 H new ATOM 520 N HIS A 35 78.003 -0.063 -1.893 1.00 0.00 N ATOM 521 CA HIS A 35 77.851 1.034 -2.847 1.00 0.00 C ATOM 522 C HIS A 35 79.032 1.085 -3.817 1.00 0.00 C ATOM 523 O HIS A 35 80.180 1.243 -3.405 1.00 0.00 O ATOM 524 CB HIS A 35 77.723 2.367 -2.108 1.00 0.00 C ATOM 525 CG HIS A 35 76.441 3.090 -2.395 1.00 0.00 C ATOM 526 ND1 HIS A 35 75.780 3.859 -1.462 1.00 0.00 N ATOM 527 CD2 HIS A 35 75.700 3.161 -3.525 1.00 0.00 C ATOM 528 CE1 HIS A 35 74.689 4.369 -2.003 1.00 0.00 C ATOM 529 NE2 HIS A 35 74.617 3.963 -3.256 1.00 0.00 N ATOM 0 H HIS A 35 78.682 0.117 -1.154 1.00 0.00 H new ATOM 0 HA HIS A 35 76.942 0.857 -3.422 1.00 0.00 H new ATOM 0 HB2 HIS A 35 77.797 2.187 -1.035 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.561 3.007 -2.383 1.00 0.00 H new ATOM 0 HD2 HIS A 35 75.919 2.677 -4.465 1.00 0.00 H new ATOM 0 HE1 HIS A 35 73.977 5.010 -1.504 1.00 0.00 H new ATOM 0 HE2 HIS A 35 73.879 4.205 -3.917 1.00 0.00 H new ATOM 537 N PHE A 36 78.738 0.957 -5.107 1.00 0.00 N ATOM 538 CA PHE A 36 79.775 0.982 -6.137 1.00 0.00 C ATOM 539 C PHE A 36 79.668 2.232 -7.006 1.00 0.00 C ATOM 540 O PHE A 36 78.657 2.457 -7.671 1.00 0.00 O ATOM 541 CB PHE A 36 79.676 -0.267 -7.020 1.00 0.00 C ATOM 542 CG PHE A 36 79.776 -1.555 -6.257 1.00 0.00 C ATOM 543 CD1 PHE A 36 78.657 -2.350 -6.065 1.00 0.00 C ATOM 544 CD2 PHE A 36 80.987 -1.972 -5.730 1.00 0.00 C ATOM 545 CE1 PHE A 36 78.744 -3.536 -5.361 1.00 0.00 C ATOM 546 CE2 PHE A 36 81.081 -3.155 -5.026 1.00 0.00 C ATOM 547 CZ PHE A 36 79.958 -3.938 -4.842 1.00 0.00 C ATOM 0 H PHE A 36 77.791 0.835 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 36 80.741 0.997 -5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.728 -0.246 -7.558 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.468 -0.236 -7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 36 77.706 -2.039 -6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 36 81.868 -1.364 -5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.865 -4.146 -5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 36 82.031 -3.468 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 36 80.030 -4.865 -4.292 1.00 0.00 H new ATOM 557 N LYS A 37 80.719 3.048 -6.998 1.00 0.00 N ATOM 558 CA LYS A 37 80.748 4.271 -7.795 1.00 0.00 C ATOM 559 C LYS A 37 81.318 3.992 -9.187 1.00 0.00 C ATOM 560 O LYS A 37 82.507 4.191 -9.438 1.00 0.00 O ATOM 561 CB LYS A 37 81.572 5.351 -7.088 1.00 0.00 C ATOM 562 CG LYS A 37 80.790 6.122 -6.037 1.00 0.00 C ATOM 563 CD LYS A 37 81.714 6.861 -5.080 1.00 0.00 C ATOM 564 CE LYS A 37 80.978 7.307 -3.826 1.00 0.00 C ATOM 565 NZ LYS A 37 81.154 8.762 -3.563 1.00 0.00 N ATOM 0 H LYS A 37 81.562 2.884 -6.448 1.00 0.00 H new ATOM 0 HA LYS A 37 79.726 4.632 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 37 82.437 4.885 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.953 6.051 -7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 37 80.127 6.835 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 37 80.159 5.434 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 37 82.546 6.214 -4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 37 82.139 7.730 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 37 79.916 7.083 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 37 81.341 6.738 -2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 80.636 9.024 -2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 82.165 8.972 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 80.784 9.307 -4.367 1.00 0.00 H new ATOM 579 N VAL A 38 80.458 3.526 -10.086 1.00 0.00 N ATOM 580 CA VAL A 38 80.866 3.201 -11.453 1.00 0.00 C ATOM 581 C VAL A 38 80.036 3.970 -12.482 1.00 0.00 C ATOM 582 O VAL A 38 79.254 4.852 -12.133 1.00 0.00 O ATOM 583 CB VAL A 38 80.736 1.685 -11.734 1.00 0.00 C ATOM 584 CG1 VAL A 38 81.911 0.925 -11.138 1.00 0.00 C ATOM 585 CG2 VAL A 38 79.417 1.145 -11.195 1.00 0.00 C ATOM 0 H VAL A 38 79.470 3.363 -9.894 1.00 0.00 H new ATOM 0 HA VAL A 38 81.911 3.495 -11.545 1.00 0.00 H new ATOM 0 HB VAL A 38 80.747 1.539 -12.814 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.800 -0.139 -11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.840 1.286 -11.580 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.937 1.082 -10.060 1.00 0.00 H new ATOM 0 HG21 VAL A 38 79.348 0.078 -11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 38 79.370 1.307 -10.118 1.00 0.00 H new ATOM 0 HG23 VAL A 38 78.588 1.663 -11.676 1.00 0.00 H new ATOM 595 N LYS A 39 80.212 3.637 -13.754 1.00 0.00 N ATOM 596 CA LYS A 39 79.467 4.292 -14.823 1.00 0.00 C ATOM 597 C LYS A 39 78.302 3.418 -15.285 1.00 0.00 C ATOM 598 O LYS A 39 78.395 2.192 -15.280 1.00 0.00 O ATOM 599 CB LYS A 39 80.390 4.606 -16.004 1.00 0.00 C ATOM 600 CG LYS A 39 80.325 6.057 -16.459 1.00 0.00 C ATOM 601 CD LYS A 39 81.712 6.624 -16.712 1.00 0.00 C ATOM 602 CE LYS A 39 81.672 8.134 -16.889 1.00 0.00 C ATOM 603 NZ LYS A 39 82.527 8.833 -15.891 1.00 0.00 N ATOM 0 H LYS A 39 80.863 2.919 -14.071 1.00 0.00 H new ATOM 0 HA LYS A 39 79.065 5.227 -14.433 1.00 0.00 H new ATOM 0 HB2 LYS A 39 81.416 4.367 -15.726 1.00 0.00 H new ATOM 0 HB3 LYS A 39 80.128 3.959 -16.841 1.00 0.00 H new ATOM 0 HG2 LYS A 39 79.730 6.128 -17.370 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.819 6.655 -15.701 1.00 0.00 H new ATOM 0 HD2 LYS A 39 82.367 6.371 -15.878 1.00 0.00 H new ATOM 0 HD3 LYS A 39 82.138 6.163 -17.603 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.005 8.390 -17.895 1.00 0.00 H new ATOM 0 HE3 LYS A 39 80.644 8.483 -16.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 82.472 9.860 -16.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 82.194 8.609 -14.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 83.513 8.519 -15.998 1.00 0.00 H new ATOM 617 N MET A 40 77.206 4.051 -15.684 1.00 0.00 N ATOM 618 CA MET A 40 76.027 3.321 -16.146 1.00 0.00 C ATOM 619 C MET A 40 76.183 2.868 -17.607 1.00 0.00 C ATOM 620 O MET A 40 75.415 2.035 -18.089 1.00 0.00 O ATOM 621 CB MET A 40 74.775 4.187 -16.000 1.00 0.00 C ATOM 622 CG MET A 40 74.003 3.926 -14.715 1.00 0.00 C ATOM 623 SD MET A 40 72.626 5.072 -14.473 1.00 0.00 S ATOM 624 CE MET A 40 71.793 4.991 -16.059 1.00 0.00 C ATOM 0 H MET A 40 77.107 5.066 -15.698 1.00 0.00 H new ATOM 0 HA MET A 40 75.924 2.431 -15.525 1.00 0.00 H new ATOM 0 HB2 MET A 40 75.064 5.238 -16.034 1.00 0.00 H new ATOM 0 HB3 MET A 40 74.118 4.009 -16.852 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.621 2.905 -14.728 1.00 0.00 H new ATOM 0 HG3 MET A 40 74.684 4.001 -13.867 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.798 5.427 -15.970 1.00 0.00 H new ATOM 0 HE2 MET A 40 72.368 5.546 -16.801 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.706 3.950 -16.372 1.00 0.00 H new ATOM 634 N THR A 41 77.179 3.420 -18.310 1.00 0.00 N ATOM 635 CA THR A 41 77.426 3.063 -19.707 1.00 0.00 C ATOM 636 C THR A 41 78.428 1.910 -19.824 1.00 0.00 C ATOM 637 O THR A 41 79.275 1.895 -20.722 1.00 0.00 O ATOM 638 CB THR A 41 77.958 4.273 -20.507 1.00 0.00 C ATOM 639 OG1 THR A 41 79.354 4.465 -20.242 1.00 0.00 O ATOM 640 CG2 THR A 41 77.197 5.538 -20.146 1.00 0.00 C ATOM 0 H THR A 41 77.824 4.114 -17.933 1.00 0.00 H new ATOM 0 HA THR A 41 76.470 2.746 -20.123 1.00 0.00 H new ATOM 0 HB THR A 41 77.813 4.066 -21.567 1.00 0.00 H new ATOM 0 HG1 THR A 41 79.868 3.742 -20.659 1.00 0.00 H new ATOM 0 HG21 THR A 41 77.590 6.376 -20.722 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.140 5.404 -20.375 1.00 0.00 H new ATOM 0 HG23 THR A 41 77.315 5.742 -19.082 1.00 0.00 H new ATOM 648 N THR A 42 78.326 0.942 -18.921 1.00 0.00 N ATOM 649 CA THR A 42 79.233 -0.203 -18.925 1.00 0.00 C ATOM 650 C THR A 42 78.481 -1.518 -18.707 1.00 0.00 C ATOM 651 O THR A 42 77.352 -1.525 -18.214 1.00 0.00 O ATOM 652 CB THR A 42 80.343 -0.045 -17.857 1.00 0.00 C ATOM 653 OG1 THR A 42 81.456 -0.887 -18.184 1.00 0.00 O ATOM 654 CG2 THR A 42 79.839 -0.388 -16.460 1.00 0.00 C ATOM 0 H THR A 42 77.627 0.925 -18.178 1.00 0.00 H new ATOM 0 HA THR A 42 79.699 -0.234 -19.910 1.00 0.00 H new ATOM 0 HB THR A 42 80.653 1.000 -17.855 1.00 0.00 H new ATOM 0 HG1 THR A 42 82.214 -0.667 -17.603 1.00 0.00 H new ATOM 0 HG21 THR A 42 80.648 -0.264 -15.741 1.00 0.00 H new ATOM 0 HG22 THR A 42 79.015 0.276 -16.197 1.00 0.00 H new ATOM 0 HG23 THR A 42 79.492 -1.421 -16.442 1.00 0.00 H new ATOM 662 N HIS A 43 79.112 -2.624 -19.093 1.00 0.00 N ATOM 663 CA HIS A 43 78.507 -3.951 -18.953 1.00 0.00 C ATOM 664 C HIS A 43 78.377 -4.358 -17.483 1.00 0.00 C ATOM 665 O HIS A 43 79.184 -3.958 -16.642 1.00 0.00 O ATOM 666 CB HIS A 43 79.339 -4.990 -19.705 1.00 0.00 C ATOM 667 CG HIS A 43 79.054 -5.044 -21.174 1.00 0.00 C ATOM 668 ND1 HIS A 43 80.037 -5.178 -22.127 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.883 -4.991 -21.852 1.00 0.00 C ATOM 670 CE1 HIS A 43 79.487 -5.205 -23.327 1.00 0.00 C ATOM 671 NE2 HIS A 43 78.179 -5.096 -23.191 1.00 0.00 N ATOM 0 H HIS A 43 80.044 -2.630 -19.506 1.00 0.00 H new ATOM 0 HA HIS A 43 77.506 -3.905 -19.381 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.397 -4.771 -19.557 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.154 -5.973 -19.272 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.898 -4.886 -21.421 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.018 -5.300 -24.262 1.00 0.00 H new ATOM 0 HE2 HIS A 43 77.500 -5.091 -23.952 1.00 0.00 H new ATOM 679 N LEU A 44 77.370 -5.181 -17.186 1.00 0.00 N ATOM 680 CA LEU A 44 77.125 -5.635 -15.813 1.00 0.00 C ATOM 681 C LEU A 44 78.260 -6.508 -15.252 1.00 0.00 C ATOM 682 O LEU A 44 78.330 -6.720 -14.043 1.00 0.00 O ATOM 683 CB LEU A 44 75.796 -6.391 -15.736 1.00 0.00 C ATOM 684 CG LEU A 44 74.678 -5.672 -14.972 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.944 -5.697 -13.475 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.522 -4.238 -15.460 1.00 0.00 C ATOM 0 H LEU A 44 76.712 -5.547 -17.874 1.00 0.00 H new ATOM 0 HA LEU A 44 77.081 -4.740 -15.193 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.451 -6.590 -16.750 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.973 -7.357 -15.264 1.00 0.00 H new ATOM 0 HG LEU A 44 73.746 -6.203 -15.165 1.00 0.00 H new ATOM 0 HD11 LEU A 44 74.138 -5.181 -12.954 1.00 0.00 H new ATOM 0 HD12 LEU A 44 74.995 -6.730 -13.132 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.890 -5.198 -13.265 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.723 -3.749 -14.903 1.00 0.00 H new ATOM 0 HD22 LEU A 44 75.456 -3.697 -15.305 1.00 0.00 H new ATOM 0 HD23 LEU A 44 74.276 -4.240 -16.522 1.00 0.00 H new ATOM 698 N LYS A 45 79.148 -7.010 -16.121 1.00 0.00 N ATOM 699 CA LYS A 45 80.267 -7.854 -15.686 1.00 0.00 C ATOM 700 C LYS A 45 81.170 -7.134 -14.675 1.00 0.00 C ATOM 701 O LYS A 45 81.793 -7.773 -13.827 1.00 0.00 O ATOM 702 CB LYS A 45 81.087 -8.321 -16.901 1.00 0.00 C ATOM 703 CG LYS A 45 82.127 -7.318 -17.385 1.00 0.00 C ATOM 704 CD LYS A 45 83.522 -7.926 -17.423 1.00 0.00 C ATOM 705 CE LYS A 45 83.804 -8.589 -18.764 1.00 0.00 C ATOM 706 NZ LYS A 45 85.120 -9.286 -18.774 1.00 0.00 N ATOM 0 H LYS A 45 79.113 -6.846 -17.127 1.00 0.00 H new ATOM 0 HA LYS A 45 79.845 -8.724 -15.184 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.591 -9.253 -16.647 1.00 0.00 H new ATOM 0 HB3 LYS A 45 80.404 -8.541 -17.721 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.857 -6.965 -18.380 1.00 0.00 H new ATOM 0 HG3 LYS A 45 82.127 -6.448 -16.728 1.00 0.00 H new ATOM 0 HD2 LYS A 45 84.264 -7.150 -17.236 1.00 0.00 H new ATOM 0 HD3 LYS A 45 83.622 -8.661 -16.624 1.00 0.00 H new ATOM 0 HE2 LYS A 45 83.013 -9.304 -18.989 1.00 0.00 H new ATOM 0 HE3 LYS A 45 83.786 -7.836 -19.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 85.274 -9.724 -19.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 85.878 -8.599 -18.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 85.129 -10.022 -18.039 1.00 0.00 H new ATOM 720 N LYS A 46 81.231 -5.805 -14.761 1.00 0.00 N ATOM 721 CA LYS A 46 82.056 -5.014 -13.850 1.00 0.00 C ATOM 722 C LYS A 46 81.359 -4.811 -12.502 1.00 0.00 C ATOM 723 O LYS A 46 82.013 -4.695 -11.466 1.00 0.00 O ATOM 724 CB LYS A 46 82.383 -3.656 -14.476 1.00 0.00 C ATOM 725 CG LYS A 46 83.793 -3.567 -15.038 1.00 0.00 C ATOM 726 CD LYS A 46 84.020 -2.250 -15.762 1.00 0.00 C ATOM 727 CE LYS A 46 85.484 -2.059 -16.127 1.00 0.00 C ATOM 728 NZ LYS A 46 85.714 -0.776 -16.844 1.00 0.00 N ATOM 0 H LYS A 46 80.720 -5.255 -15.451 1.00 0.00 H new ATOM 0 HA LYS A 46 82.981 -5.563 -13.676 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.669 -3.452 -15.274 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.251 -2.878 -13.724 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.516 -3.668 -14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.965 -4.396 -15.725 1.00 0.00 H new ATOM 0 HD2 LYS A 46 83.412 -2.221 -16.666 1.00 0.00 H new ATOM 0 HD3 LYS A 46 83.691 -1.425 -15.130 1.00 0.00 H new ATOM 0 HE2 LYS A 46 86.090 -2.082 -15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 46 85.813 -2.889 -16.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 86.724 -0.684 -17.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 85.156 -0.764 -17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 85.424 0.017 -16.238 1.00 0.00 H new ATOM 742 N LEU A 47 80.031 -4.768 -12.527 1.00 0.00 N ATOM 743 CA LEU A 47 79.238 -4.574 -11.311 1.00 0.00 C ATOM 744 C LEU A 47 79.009 -5.892 -10.567 1.00 0.00 C ATOM 745 O LEU A 47 79.233 -5.981 -9.358 1.00 0.00 O ATOM 746 CB LEU A 47 77.891 -3.939 -11.660 1.00 0.00 C ATOM 747 CG LEU A 47 77.761 -2.457 -11.306 1.00 0.00 C ATOM 748 CD1 LEU A 47 77.027 -1.710 -12.408 1.00 0.00 C ATOM 749 CD2 LEU A 47 77.043 -2.296 -9.975 1.00 0.00 C ATOM 0 H LEU A 47 79.477 -4.865 -13.378 1.00 0.00 H new ATOM 0 HA LEU A 47 79.799 -3.910 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.717 -4.058 -12.729 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.103 -4.490 -11.146 1.00 0.00 H new ATOM 0 HG LEU A 47 78.760 -2.030 -11.213 1.00 0.00 H new ATOM 0 HD11 LEU A 47 76.943 -0.657 -12.140 1.00 0.00 H new ATOM 0 HD12 LEU A 47 77.581 -1.804 -13.342 1.00 0.00 H new ATOM 0 HD13 LEU A 47 76.030 -2.133 -12.533 1.00 0.00 H new ATOM 0 HD21 LEU A 47 76.957 -1.236 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 47 76.048 -2.735 -10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 47 77.609 -2.801 -9.193 1.00 0.00 H new ATOM 761 N LYS A 48 78.567 -6.913 -11.302 1.00 0.00 N ATOM 762 CA LYS A 48 78.288 -8.231 -10.725 1.00 0.00 C ATOM 763 C LYS A 48 79.533 -8.851 -10.083 1.00 0.00 C ATOM 764 O LYS A 48 79.480 -9.340 -8.954 1.00 0.00 O ATOM 765 CB LYS A 48 77.739 -9.167 -11.808 1.00 0.00 C ATOM 766 CG LYS A 48 76.447 -9.869 -11.420 1.00 0.00 C ATOM 767 CD LYS A 48 75.346 -9.615 -12.438 1.00 0.00 C ATOM 768 CE LYS A 48 75.545 -10.441 -13.699 1.00 0.00 C ATOM 769 NZ LYS A 48 74.510 -11.504 -13.836 1.00 0.00 N ATOM 0 H LYS A 48 78.393 -6.853 -12.305 1.00 0.00 H new ATOM 0 HA LYS A 48 77.544 -8.097 -9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 48 77.569 -8.593 -12.719 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.493 -9.919 -12.041 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.626 -10.941 -11.336 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.124 -9.522 -10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.379 -9.854 -11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.326 -8.556 -12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 48 75.511 -9.787 -14.570 1.00 0.00 H new ATOM 0 HE3 LYS A 48 76.534 -10.898 -13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 74.926 -12.336 -14.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 74.162 -11.773 -12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 73.719 -11.147 -14.409 1.00 0.00 H new ATOM 783 N GLU A 49 80.656 -8.817 -10.799 1.00 0.00 N ATOM 784 CA GLU A 49 81.908 -9.383 -10.294 1.00 0.00 C ATOM 785 C GLU A 49 82.449 -8.599 -9.096 1.00 0.00 C ATOM 786 O GLU A 49 83.085 -9.170 -8.214 1.00 0.00 O ATOM 787 CB GLU A 49 82.962 -9.422 -11.404 1.00 0.00 C ATOM 788 CG GLU A 49 83.851 -10.656 -11.358 1.00 0.00 C ATOM 789 CD GLU A 49 85.317 -10.333 -11.589 1.00 0.00 C ATOM 790 OE1 GLU A 49 85.748 -9.219 -11.223 1.00 0.00 O ATOM 791 OE2 GLU A 49 86.032 -11.193 -12.147 1.00 0.00 O ATOM 0 H GLU A 49 80.726 -8.404 -11.729 1.00 0.00 H new ATOM 0 HA GLU A 49 81.691 -10.398 -9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.461 -9.382 -12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.587 -8.532 -11.332 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.739 -11.143 -10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.517 -11.368 -12.113 1.00 0.00 H new ATOM 798 N SER A 50 82.173 -7.295 -9.056 1.00 0.00 N ATOM 799 CA SER A 50 82.648 -6.445 -7.959 1.00 0.00 C ATOM 800 C SER A 50 82.006 -6.855 -6.640 1.00 0.00 C ATOM 801 O SER A 50 82.674 -6.943 -5.609 1.00 0.00 O ATOM 802 CB SER A 50 82.341 -4.972 -8.245 1.00 0.00 C ATOM 803 OG SER A 50 83.253 -4.433 -9.188 1.00 0.00 O ATOM 0 H SER A 50 81.627 -6.805 -9.765 1.00 0.00 H new ATOM 0 HA SER A 50 83.727 -6.574 -7.881 1.00 0.00 H new ATOM 0 HB2 SER A 50 81.323 -4.876 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 50 82.391 -4.400 -7.318 1.00 0.00 H new ATOM 0 HG SER A 50 82.854 -4.462 -10.083 1.00 0.00 H new ATOM 809 N TYR A 51 80.701 -7.106 -6.685 1.00 0.00 N ATOM 810 CA TYR A 51 79.957 -7.530 -5.494 1.00 0.00 C ATOM 811 C TYR A 51 80.479 -8.871 -4.950 1.00 0.00 C ATOM 812 O TYR A 51 80.626 -9.037 -3.737 1.00 0.00 O ATOM 813 CB TYR A 51 78.448 -7.623 -5.801 1.00 0.00 C ATOM 814 CG TYR A 51 77.732 -8.697 -5.015 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.420 -8.512 -3.676 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.391 -9.901 -5.612 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.785 -9.501 -2.950 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.751 -10.894 -4.894 1.00 0.00 C ATOM 819 CZ TYR A 51 76.451 -10.688 -3.563 1.00 0.00 C ATOM 820 OH TYR A 51 75.823 -11.674 -2.839 1.00 0.00 O ATOM 0 H TYR A 51 80.134 -7.025 -7.529 1.00 0.00 H new ATOM 0 HA TYR A 51 80.111 -6.776 -4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 51 77.983 -6.660 -5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.314 -7.814 -6.866 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.677 -7.581 -3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.629 -10.065 -6.653 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.552 -9.344 -1.907 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.487 -11.826 -5.372 1.00 0.00 H new ATOM 0 HH TYR A 51 75.279 -11.266 -2.134 1.00 0.00 H new ATOM 830 N CYS A 52 80.786 -9.814 -5.844 1.00 0.00 N ATOM 831 CA CYS A 52 81.273 -11.131 -5.426 1.00 0.00 C ATOM 832 C CYS A 52 82.704 -11.032 -4.919 1.00 0.00 C ATOM 833 O CYS A 52 83.110 -11.759 -4.011 1.00 0.00 O ATOM 834 CB CYS A 52 81.202 -12.135 -6.584 1.00 0.00 C ATOM 835 SG CYS A 52 79.623 -12.142 -7.465 1.00 0.00 S ATOM 0 H CYS A 52 80.707 -9.692 -6.854 1.00 0.00 H new ATOM 0 HA CYS A 52 80.631 -11.485 -4.619 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.999 -11.912 -7.293 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.392 -13.135 -6.195 1.00 0.00 H new ATOM 0 HG CYS A 52 79.489 -11.029 -8.124 1.00 0.00 H new ATOM 841 N GLN A 53 83.453 -10.115 -5.515 1.00 0.00 N ATOM 842 CA GLN A 53 84.843 -9.877 -5.150 1.00 0.00 C ATOM 843 C GLN A 53 84.960 -9.263 -3.756 1.00 0.00 C ATOM 844 O GLN A 53 85.848 -9.622 -2.983 1.00 0.00 O ATOM 845 CB GLN A 53 85.480 -8.945 -6.177 1.00 0.00 C ATOM 846 CG GLN A 53 86.531 -9.608 -7.040 1.00 0.00 C ATOM 847 CD GLN A 53 86.174 -11.027 -7.452 1.00 0.00 C ATOM 848 OE1 GLN A 53 85.447 -11.244 -8.418 1.00 0.00 O ATOM 849 NE2 GLN A 53 86.689 -12.004 -6.724 1.00 0.00 N ATOM 0 H GLN A 53 83.114 -9.514 -6.266 1.00 0.00 H new ATOM 0 HA GLN A 53 85.362 -10.835 -5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 53 84.698 -8.541 -6.820 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.932 -8.101 -5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 53 86.686 -9.007 -7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 53 87.477 -9.623 -6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 53 87.289 -11.786 -5.928 1.00 0.00 H new ATOM 0 HE22 GLN A 53 86.486 -12.976 -6.958 1.00 0.00 H new ATOM 858 N ARG A 54 84.062 -8.332 -3.445 1.00 0.00 N ATOM 859 CA ARG A 54 84.062 -7.664 -2.146 1.00 0.00 C ATOM 860 C ARG A 54 83.677 -8.623 -1.014 1.00 0.00 C ATOM 861 O ARG A 54 84.299 -8.620 0.050 1.00 0.00 O ATOM 862 CB ARG A 54 83.101 -6.470 -2.167 1.00 0.00 C ATOM 863 CG ARG A 54 83.781 -5.131 -1.922 1.00 0.00 C ATOM 864 CD ARG A 54 83.502 -4.606 -0.522 1.00 0.00 C ATOM 865 NE ARG A 54 84.042 -5.487 0.511 1.00 0.00 N ATOM 866 CZ ARG A 54 84.313 -5.101 1.745 1.00 0.00 C ATOM 867 NH1 ARG A 54 84.105 -3.861 2.119 1.00 0.00 N ATOM 868 NH2 ARG A 54 84.795 -5.959 2.609 1.00 0.00 N ATOM 0 H ARG A 54 83.323 -8.022 -4.076 1.00 0.00 H new ATOM 0 HA ARG A 54 85.076 -7.313 -1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 54 82.595 -6.439 -3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.332 -6.621 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.857 -5.238 -2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.434 -4.406 -2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 54 83.937 -3.612 -0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 54 82.426 -4.500 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 54 84.221 -6.460 0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 54 83.730 -3.184 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 54 84.318 -3.574 3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 54 84.961 -6.926 2.329 1.00 0.00 H new ATOM 0 HH22 ARG A 54 85.004 -5.661 3.562 1.00 0.00 H new ATOM 882 N GLN A 55 82.644 -9.433 -1.243 1.00 0.00 N ATOM 883 CA GLN A 55 82.188 -10.399 -0.235 1.00 0.00 C ATOM 884 C GLN A 55 83.125 -11.610 -0.133 1.00 0.00 C ATOM 885 O GLN A 55 83.449 -12.059 0.966 1.00 0.00 O ATOM 886 CB GLN A 55 80.760 -10.877 -0.533 1.00 0.00 C ATOM 887 CG GLN A 55 79.750 -9.748 -0.692 1.00 0.00 C ATOM 888 CD GLN A 55 78.908 -9.537 0.552 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.701 -9.773 0.550 1.00 0.00 O ATOM 890 NE2 GLN A 55 79.537 -9.086 1.626 1.00 0.00 N ATOM 0 H GLN A 55 82.108 -9.443 -2.111 1.00 0.00 H new ATOM 0 HA GLN A 55 82.199 -9.878 0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.770 -11.473 -1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.432 -11.534 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.278 -8.824 -0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.096 -9.967 -1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 55 80.540 -8.902 1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 55 79.019 -8.923 2.490 1.00 0.00 H new ATOM 899 N GLY A 56 83.553 -12.139 -1.279 1.00 0.00 N ATOM 900 CA GLY A 56 84.444 -13.290 -1.279 1.00 0.00 C ATOM 901 C GLY A 56 83.730 -14.589 -1.615 1.00 0.00 C ATOM 902 O GLY A 56 84.038 -15.639 -1.054 1.00 0.00 O ATOM 0 H GLY A 56 83.300 -11.793 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.244 -13.124 -2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.912 -13.381 -0.299 1.00 0.00 H new ATOM 906 N VAL A 57 82.774 -14.519 -2.539 1.00 0.00 N ATOM 907 CA VAL A 57 82.008 -15.697 -2.948 1.00 0.00 C ATOM 908 C VAL A 57 81.935 -15.808 -4.473 1.00 0.00 C ATOM 909 O VAL A 57 81.909 -14.796 -5.173 1.00 0.00 O ATOM 910 CB VAL A 57 80.568 -15.679 -2.378 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.522 -16.346 -1.012 1.00 0.00 C ATOM 912 CG2 VAL A 57 80.027 -14.255 -2.299 1.00 0.00 C ATOM 0 H VAL A 57 82.510 -13.659 -3.020 1.00 0.00 H new ATOM 0 HA VAL A 57 82.535 -16.561 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 57 79.931 -16.244 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 57 79.501 -16.322 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.852 -17.381 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 57 81.179 -15.813 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 57 79.015 -14.272 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.667 -13.658 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 57 80.013 -13.815 -3.296 1.00 0.00 H new ATOM 922 N PRO A 58 81.911 -17.041 -5.010 1.00 0.00 N ATOM 923 CA PRO A 58 81.836 -17.272 -6.458 1.00 0.00 C ATOM 924 C PRO A 58 80.434 -17.020 -7.021 1.00 0.00 C ATOM 925 O PRO A 58 79.434 -17.130 -6.309 1.00 0.00 O ATOM 926 CB PRO A 58 82.219 -18.746 -6.593 1.00 0.00 C ATOM 927 CG PRO A 58 81.784 -19.366 -5.308 1.00 0.00 C ATOM 928 CD PRO A 58 81.969 -18.308 -4.251 1.00 0.00 C ATOM 0 HA PRO A 58 82.483 -16.595 -7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 58 81.721 -19.209 -7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 58 83.291 -18.865 -6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 58 80.743 -19.686 -5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 58 82.378 -20.251 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 58 81.187 -18.357 -3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.921 -18.421 -3.733 1.00 0.00 H new ATOM 936 N MET A 59 80.362 -16.703 -8.315 1.00 0.00 N ATOM 937 CA MET A 59 79.080 -16.424 -8.971 1.00 0.00 C ATOM 938 C MET A 59 78.361 -17.708 -9.404 1.00 0.00 C ATOM 939 O MET A 59 77.531 -17.692 -10.314 1.00 0.00 O ATOM 940 CB MET A 59 79.297 -15.516 -10.184 1.00 0.00 C ATOM 941 CG MET A 59 78.398 -14.290 -10.195 1.00 0.00 C ATOM 942 SD MET A 59 78.417 -13.425 -11.777 1.00 0.00 S ATOM 943 CE MET A 59 79.952 -12.512 -11.646 1.00 0.00 C ATOM 0 H MET A 59 81.173 -16.633 -8.929 1.00 0.00 H new ATOM 0 HA MET A 59 78.445 -15.920 -8.242 1.00 0.00 H new ATOM 0 HB2 MET A 59 80.338 -15.193 -10.204 1.00 0.00 H new ATOM 0 HB3 MET A 59 79.124 -16.091 -11.094 1.00 0.00 H new ATOM 0 HG2 MET A 59 77.377 -14.592 -9.963 1.00 0.00 H new ATOM 0 HG3 MET A 59 78.715 -13.606 -9.408 1.00 0.00 H new ATOM 0 HE1 MET A 59 80.105 -11.926 -12.552 1.00 0.00 H new ATOM 0 HE2 MET A 59 79.906 -11.845 -10.785 1.00 0.00 H new ATOM 0 HE3 MET A 59 80.780 -13.209 -11.521 1.00 0.00 H new ATOM 953 N ASN A 60 78.681 -18.818 -8.746 1.00 0.00 N ATOM 954 CA ASN A 60 78.059 -20.107 -9.055 1.00 0.00 C ATOM 955 C ASN A 60 77.185 -20.587 -7.894 1.00 0.00 C ATOM 956 O ASN A 60 76.694 -21.715 -7.899 1.00 0.00 O ATOM 957 CB ASN A 60 79.135 -21.153 -9.366 1.00 0.00 C ATOM 958 CG ASN A 60 80.169 -20.652 -10.356 1.00 0.00 C ATOM 959 OD1 ASN A 60 81.170 -20.048 -9.977 1.00 0.00 O ATOM 960 ND2 ASN A 60 79.934 -20.896 -11.635 1.00 0.00 N ATOM 0 H ASN A 60 79.369 -18.854 -7.993 1.00 0.00 H new ATOM 0 HA ASN A 60 77.424 -19.975 -9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.634 -21.442 -8.441 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.660 -22.049 -9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 60 80.595 -20.580 -12.344 1.00 0.00 H new ATOM 0 HD22 ASN A 60 79.092 -21.401 -11.912 1.00 0.00 H new ATOM 967 N SER A 61 76.996 -19.722 -6.900 1.00 0.00 N ATOM 968 CA SER A 61 76.187 -20.059 -5.728 1.00 0.00 C ATOM 969 C SER A 61 75.022 -19.081 -5.550 1.00 0.00 C ATOM 970 O SER A 61 74.004 -19.419 -4.940 1.00 0.00 O ATOM 971 CB SER A 61 77.059 -20.061 -4.470 1.00 0.00 C ATOM 972 OG SER A 61 76.477 -20.841 -3.442 1.00 0.00 O ATOM 0 H SER A 61 77.392 -18.782 -6.882 1.00 0.00 H new ATOM 0 HA SER A 61 75.772 -21.054 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.048 -20.452 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.198 -19.038 -4.119 1.00 0.00 H new ATOM 0 HG SER A 61 77.056 -20.825 -2.652 1.00 0.00 H new ATOM 978 N LEU A 62 75.173 -17.871 -6.082 1.00 0.00 N ATOM 979 CA LEU A 62 74.132 -16.849 -5.968 1.00 0.00 C ATOM 980 C LEU A 62 73.815 -16.219 -7.326 1.00 0.00 C ATOM 981 O LEU A 62 74.665 -16.171 -8.216 1.00 0.00 O ATOM 982 CB LEU A 62 74.557 -15.767 -4.970 1.00 0.00 C ATOM 983 CG LEU A 62 76.056 -15.703 -4.659 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.728 -14.590 -5.450 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.281 -15.504 -3.167 1.00 0.00 C ATOM 0 H LEU A 62 76.003 -17.573 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 62 73.227 -17.335 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.243 -14.798 -5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.017 -15.927 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 62 76.505 -16.651 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.791 -14.565 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.599 -14.773 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.275 -13.634 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.351 -15.461 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.813 -14.572 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 62 75.840 -16.336 -2.618 1.00 0.00 H new ATOM 997 N ARG A 63 72.585 -15.735 -7.473 1.00 0.00 N ATOM 998 CA ARG A 63 72.144 -15.106 -8.717 1.00 0.00 C ATOM 999 C ARG A 63 71.688 -13.661 -8.476 1.00 0.00 C ATOM 1000 O ARG A 63 71.167 -13.332 -7.408 1.00 0.00 O ATOM 1001 CB ARG A 63 71.008 -15.918 -9.355 1.00 0.00 C ATOM 1002 CG ARG A 63 69.846 -16.199 -8.414 1.00 0.00 C ATOM 1003 CD ARG A 63 69.288 -17.602 -8.602 1.00 0.00 C ATOM 1004 NE ARG A 63 68.895 -18.204 -7.330 1.00 0.00 N ATOM 1005 CZ ARG A 63 67.817 -18.954 -7.168 1.00 0.00 C ATOM 1006 NH1 ARG A 63 67.021 -19.210 -8.178 1.00 0.00 N ATOM 1007 NH2 ARG A 63 67.534 -19.453 -5.989 1.00 0.00 N ATOM 0 H ARG A 63 71.873 -15.766 -6.744 1.00 0.00 H new ATOM 0 HA ARG A 63 72.993 -15.086 -9.401 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.635 -15.380 -10.226 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.409 -16.866 -9.714 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.176 -16.075 -7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 63 69.056 -15.468 -8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.426 -17.564 -9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 63 70.037 -18.229 -9.085 1.00 0.00 H new ATOM 0 HE ARG A 63 69.488 -18.036 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 63 67.230 -18.830 -9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 63 66.193 -19.790 -8.041 1.00 0.00 H new ATOM 0 HH21 ARG A 63 68.145 -19.263 -5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 63 66.703 -20.031 -5.866 1.00 0.00 H new ATOM 1021 N LEU A 64 71.886 -12.808 -9.479 1.00 0.00 N ATOM 1022 CA LEU A 64 71.498 -11.398 -9.381 1.00 0.00 C ATOM 1023 C LEU A 64 70.275 -11.110 -10.257 1.00 0.00 C ATOM 1024 O LEU A 64 70.302 -11.323 -11.471 1.00 0.00 O ATOM 1025 CB LEU A 64 72.676 -10.495 -9.777 1.00 0.00 C ATOM 1026 CG LEU A 64 73.452 -9.895 -8.602 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.669 -10.747 -8.277 1.00 0.00 C ATOM 1028 CD2 LEU A 64 73.869 -8.465 -8.912 1.00 0.00 C ATOM 0 H LEU A 64 72.312 -13.066 -10.369 1.00 0.00 H new ATOM 0 HA LEU A 64 71.229 -11.183 -8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.366 -11.072 -10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.299 -9.682 -10.397 1.00 0.00 H new ATOM 0 HG LEU A 64 72.799 -9.881 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.209 -10.306 -7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.348 -11.754 -8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.324 -10.793 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.419 -8.055 -8.065 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.505 -8.455 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 64 72.982 -7.859 -9.096 1.00 0.00 H new ATOM 1040 N LEU A 65 69.203 -10.626 -9.631 1.00 0.00 N ATOM 1041 CA LEU A 65 67.955 -10.337 -10.351 1.00 0.00 C ATOM 1042 C LEU A 65 67.266 -9.058 -9.847 1.00 0.00 C ATOM 1043 O LEU A 65 67.517 -8.596 -8.733 1.00 0.00 O ATOM 1044 CB LEU A 65 67.005 -11.566 -10.314 1.00 0.00 C ATOM 1045 CG LEU A 65 66.186 -11.849 -9.027 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.980 -11.595 -7.754 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.893 -11.052 -9.014 1.00 0.00 C ATOM 0 H LEU A 65 69.169 -10.425 -8.632 1.00 0.00 H new ATOM 0 HA LEU A 65 68.215 -10.144 -11.392 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.298 -11.459 -11.137 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.605 -12.452 -10.523 1.00 0.00 H new ATOM 0 HG LEU A 65 65.945 -12.912 -9.046 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.356 -11.810 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.858 -12.241 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.296 -10.552 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.340 -11.271 -8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.122 -9.987 -9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.288 -11.326 -9.878 1.00 0.00 H new ATOM 1059 N PHE A 66 66.408 -8.479 -10.691 1.00 0.00 N ATOM 1060 CA PHE A 66 65.680 -7.260 -10.331 1.00 0.00 C ATOM 1061 C PHE A 66 64.185 -7.378 -10.650 1.00 0.00 C ATOM 1062 O PHE A 66 63.804 -7.613 -11.798 1.00 0.00 O ATOM 1063 CB PHE A 66 66.262 -6.043 -11.059 1.00 0.00 C ATOM 1064 CG PHE A 66 65.559 -4.755 -10.725 1.00 0.00 C ATOM 1065 CD1 PHE A 66 65.569 -4.260 -9.431 1.00 0.00 C ATOM 1066 CD2 PHE A 66 64.877 -4.048 -11.702 1.00 0.00 C ATOM 1067 CE1 PHE A 66 64.914 -3.083 -9.119 1.00 0.00 C ATOM 1068 CE2 PHE A 66 64.224 -2.870 -11.398 1.00 0.00 C ATOM 1069 CZ PHE A 66 64.240 -2.388 -10.104 1.00 0.00 C ATOM 0 H PHE A 66 66.201 -8.833 -11.625 1.00 0.00 H new ATOM 0 HA PHE A 66 65.794 -7.126 -9.255 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.318 -5.948 -10.806 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.206 -6.211 -12.135 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.094 -4.800 -8.657 1.00 0.00 H new ATOM 0 HD2 PHE A 66 64.856 -4.423 -12.715 1.00 0.00 H new ATOM 0 HE1 PHE A 66 64.929 -2.708 -8.106 1.00 0.00 H new ATOM 0 HE2 PHE A 66 63.701 -2.326 -12.171 1.00 0.00 H new ATOM 0 HZ PHE A 66 63.726 -1.469 -9.863 1.00 0.00 H new ATOM 1079 N GLU A 67 63.354 -7.213 -9.609 1.00 0.00 N ATOM 1080 CA GLU A 67 61.879 -7.272 -9.706 1.00 0.00 C ATOM 1081 C GLU A 67 61.353 -8.486 -10.500 1.00 0.00 C ATOM 1082 O GLU A 67 60.297 -8.418 -11.132 1.00 0.00 O ATOM 1083 CB GLU A 67 61.311 -5.950 -10.269 1.00 0.00 C ATOM 1084 CG GLU A 67 61.454 -5.766 -11.777 1.00 0.00 C ATOM 1085 CD GLU A 67 60.131 -5.473 -12.463 1.00 0.00 C ATOM 1086 OE1 GLU A 67 59.252 -4.857 -11.822 1.00 0.00 O ATOM 1087 OE2 GLU A 67 59.978 -5.849 -13.644 1.00 0.00 O ATOM 0 H GLU A 67 63.688 -7.032 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 67 61.517 -7.408 -8.687 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.254 -5.890 -10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 67 61.809 -5.119 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.149 -4.950 -11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 67 61.890 -6.667 -12.209 1.00 0.00 H new ATOM 1094 N GLY A 68 62.076 -9.602 -10.443 1.00 0.00 N ATOM 1095 CA GLY A 68 61.645 -10.802 -11.148 1.00 0.00 C ATOM 1096 C GLY A 68 62.384 -11.054 -12.455 1.00 0.00 C ATOM 1097 O GLY A 68 62.368 -12.172 -12.971 1.00 0.00 O ATOM 0 H GLY A 68 62.949 -9.699 -9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.781 -11.663 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.578 -10.725 -11.355 1.00 0.00 H new ATOM 1101 N GLN A 69 63.037 -10.030 -12.996 1.00 0.00 N ATOM 1102 CA GLN A 69 63.771 -10.172 -14.251 1.00 0.00 C ATOM 1103 C GLN A 69 65.257 -10.449 -14.000 1.00 0.00 C ATOM 1104 O GLN A 69 65.854 -9.914 -13.063 1.00 0.00 O ATOM 1105 CB GLN A 69 63.579 -8.923 -15.129 1.00 0.00 C ATOM 1106 CG GLN A 69 64.795 -8.005 -15.214 1.00 0.00 C ATOM 1107 CD GLN A 69 64.417 -6.541 -15.295 1.00 0.00 C ATOM 1108 OE1 GLN A 69 64.575 -5.900 -16.330 1.00 0.00 O ATOM 1109 NE2 GLN A 69 63.916 -5.997 -14.198 1.00 0.00 N ATOM 0 H GLN A 69 63.074 -9.096 -12.588 1.00 0.00 H new ATOM 0 HA GLN A 69 63.367 -11.032 -14.785 1.00 0.00 H new ATOM 0 HB2 GLN A 69 63.312 -9.242 -16.136 1.00 0.00 H new ATOM 0 HB3 GLN A 69 62.736 -8.351 -14.742 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.428 -8.165 -14.341 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.387 -8.272 -16.090 1.00 0.00 H new ATOM 0 HE21 GLN A 69 63.799 -6.561 -13.356 1.00 0.00 H new ATOM 0 HE22 GLN A 69 63.646 -5.013 -14.194 1.00 0.00 H new ATOM 1118 N ARG A 70 65.842 -11.305 -14.835 1.00 0.00 N ATOM 1119 CA ARG A 70 67.255 -11.652 -14.711 1.00 0.00 C ATOM 1120 C ARG A 70 68.130 -10.680 -15.508 1.00 0.00 C ATOM 1121 O ARG A 70 67.725 -10.180 -16.561 1.00 0.00 O ATOM 1122 CB ARG A 70 67.494 -13.100 -15.168 1.00 0.00 C ATOM 1123 CG ARG A 70 67.547 -13.284 -16.680 1.00 0.00 C ATOM 1124 CD ARG A 70 67.261 -14.723 -17.084 1.00 0.00 C ATOM 1125 NE ARG A 70 66.065 -14.831 -17.917 1.00 0.00 N ATOM 1126 CZ ARG A 70 65.556 -15.978 -18.333 1.00 0.00 C ATOM 1127 NH1 ARG A 70 66.122 -17.114 -18.008 1.00 0.00 N ATOM 1128 NH2 ARG A 70 64.479 -15.985 -19.077 1.00 0.00 N ATOM 0 H ARG A 70 65.360 -11.770 -15.604 1.00 0.00 H new ATOM 0 HA ARG A 70 67.535 -11.571 -13.661 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.431 -13.453 -14.738 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.701 -13.730 -14.765 1.00 0.00 H new ATOM 0 HG2 ARG A 70 66.821 -12.623 -17.152 1.00 0.00 H new ATOM 0 HG3 ARG A 70 68.531 -12.992 -17.048 1.00 0.00 H new ATOM 0 HD2 ARG A 70 68.117 -15.124 -17.626 1.00 0.00 H new ATOM 0 HD3 ARG A 70 67.136 -15.333 -16.189 1.00 0.00 H new ATOM 0 HE ARG A 70 65.595 -13.969 -18.194 1.00 0.00 H new ATOM 0 HH11 ARG A 70 66.962 -17.118 -17.430 1.00 0.00 H new ATOM 0 HH12 ARG A 70 65.722 -17.994 -18.333 1.00 0.00 H new ATOM 0 HH21 ARG A 70 64.032 -15.105 -19.336 1.00 0.00 H new ATOM 0 HH22 ARG A 70 64.087 -16.870 -19.398 1.00 0.00 H new ATOM 1142 N ILE A 71 69.326 -10.407 -14.999 1.00 0.00 N ATOM 1143 CA ILE A 71 70.242 -9.486 -15.666 1.00 0.00 C ATOM 1144 C ILE A 71 71.585 -10.156 -15.965 1.00 0.00 C ATOM 1145 O ILE A 71 72.298 -10.589 -15.058 1.00 0.00 O ATOM 1146 CB ILE A 71 70.474 -8.208 -14.819 1.00 0.00 C ATOM 1147 CG1 ILE A 71 69.205 -7.352 -14.777 1.00 0.00 C ATOM 1148 CG2 ILE A 71 71.632 -7.390 -15.370 1.00 0.00 C ATOM 1149 CD1 ILE A 71 68.558 -7.296 -13.413 1.00 0.00 C ATOM 0 H ILE A 71 69.684 -10.807 -14.132 1.00 0.00 H new ATOM 0 HA ILE A 71 69.775 -9.201 -16.609 1.00 0.00 H new ATOM 0 HB ILE A 71 70.724 -8.522 -13.805 1.00 0.00 H new ATOM 0 HG12 ILE A 71 69.450 -6.339 -15.096 1.00 0.00 H new ATOM 0 HG13 ILE A 71 68.486 -7.747 -15.495 1.00 0.00 H new ATOM 0 HG21 ILE A 71 71.773 -6.500 -14.757 1.00 0.00 H new ATOM 0 HG22 ILE A 71 72.542 -7.990 -15.353 1.00 0.00 H new ATOM 0 HG23 ILE A 71 71.412 -7.094 -16.396 1.00 0.00 H new ATOM 0 HD11 ILE A 71 67.665 -6.672 -13.459 1.00 0.00 H new ATOM 0 HD12 ILE A 71 68.282 -8.303 -13.100 1.00 0.00 H new ATOM 0 HD13 ILE A 71 69.260 -6.872 -12.695 1.00 0.00 H new ATOM 1161 N ALA A 72 71.913 -10.256 -17.250 1.00 0.00 N ATOM 1162 CA ALA A 72 73.170 -10.860 -17.681 1.00 0.00 C ATOM 1163 C ALA A 72 74.309 -9.835 -17.698 1.00 0.00 C ATOM 1164 O ALA A 72 74.079 -8.629 -17.598 1.00 0.00 O ATOM 1165 CB ALA A 72 73.005 -11.487 -19.060 1.00 0.00 C ATOM 0 H ALA A 72 71.323 -9.925 -18.014 1.00 0.00 H new ATOM 0 HA ALA A 72 73.432 -11.637 -16.963 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.949 -11.935 -19.372 1.00 0.00 H new ATOM 0 HB2 ALA A 72 72.234 -12.257 -19.020 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.714 -10.719 -19.776 1.00 0.00 H new ATOM 1171 N ASP A 73 75.536 -10.327 -17.852 1.00 0.00 N ATOM 1172 CA ASP A 73 76.728 -9.482 -17.878 1.00 0.00 C ATOM 1173 C ASP A 73 76.765 -8.577 -19.118 1.00 0.00 C ATOM 1174 O ASP A 73 77.482 -7.576 -19.143 1.00 0.00 O ATOM 1175 CB ASP A 73 77.979 -10.362 -17.838 1.00 0.00 C ATOM 1176 CG ASP A 73 78.046 -11.221 -16.591 1.00 0.00 C ATOM 1177 OD1 ASP A 73 78.622 -10.764 -15.585 1.00 0.00 O ATOM 1178 OD2 ASP A 73 77.514 -12.352 -16.624 1.00 0.00 O ATOM 0 H ASP A 73 75.732 -11.322 -17.962 1.00 0.00 H new ATOM 0 HA ASP A 73 76.698 -8.835 -17.002 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.996 -11.004 -18.719 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.866 -9.730 -17.888 1.00 0.00 H new ATOM 1183 N ASN A 74 75.986 -8.930 -20.138 1.00 0.00 N ATOM 1184 CA ASN A 74 75.934 -8.153 -21.379 1.00 0.00 C ATOM 1185 C ASN A 74 74.842 -7.077 -21.332 1.00 0.00 C ATOM 1186 O ASN A 74 74.569 -6.414 -22.332 1.00 0.00 O ATOM 1187 CB ASN A 74 75.695 -9.079 -22.578 1.00 0.00 C ATOM 1188 CG ASN A 74 76.346 -8.570 -23.853 1.00 0.00 C ATOM 1189 OD1 ASN A 74 77.285 -7.781 -23.814 1.00 0.00 O ATOM 1190 ND2 ASN A 74 75.849 -9.020 -24.992 1.00 0.00 N ATOM 0 H ASN A 74 75.380 -9.750 -20.132 1.00 0.00 H new ATOM 0 HA ASN A 74 76.896 -7.653 -21.490 1.00 0.00 H new ATOM 0 HB2 ASN A 74 76.083 -10.071 -22.348 1.00 0.00 H new ATOM 0 HB3 ASN A 74 74.623 -9.186 -22.741 1.00 0.00 H new ATOM 0 HD21 ASN A 74 76.247 -8.712 -25.879 1.00 0.00 H new ATOM 0 HD22 ASN A 74 75.068 -9.675 -24.984 1.00 0.00 H new ATOM 1197 N HIS A 75 74.219 -6.904 -20.168 1.00 0.00 N ATOM 1198 CA HIS A 75 73.163 -5.904 -20.011 1.00 0.00 C ATOM 1199 C HIS A 75 73.733 -4.560 -19.566 1.00 0.00 C ATOM 1200 O HIS A 75 74.814 -4.491 -18.977 1.00 0.00 O ATOM 1201 CB HIS A 75 72.123 -6.375 -18.995 1.00 0.00 C ATOM 1202 CG HIS A 75 70.949 -7.078 -19.611 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.453 -8.276 -19.142 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.164 -6.738 -20.662 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.417 -8.644 -19.875 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.221 -7.727 -20.804 1.00 0.00 N ATOM 0 H HIS A 75 74.425 -7.439 -19.324 1.00 0.00 H new ATOM 0 HA HIS A 75 72.688 -5.777 -20.984 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.603 -7.046 -18.282 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.764 -5.514 -18.431 1.00 0.00 H new ATOM 0 HD2 HIS A 75 70.262 -5.854 -21.274 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.831 -9.541 -19.738 1.00 0.00 H new ATOM 0 HE2 HIS A 75 68.488 -7.749 -21.513 1.00 0.00 H new ATOM 1214 N THR A 76 72.992 -3.497 -19.853 1.00 0.00 N ATOM 1215 CA THR A 76 73.401 -2.144 -19.484 1.00 0.00 C ATOM 1216 C THR A 76 72.250 -1.400 -18.801 1.00 0.00 C ATOM 1217 O THR A 76 71.116 -1.430 -19.285 1.00 0.00 O ATOM 1218 CB THR A 76 73.857 -1.343 -20.721 1.00 0.00 C ATOM 1219 OG1 THR A 76 73.195 -1.839 -21.892 1.00 0.00 O ATOM 1220 CG2 THR A 76 75.362 -1.442 -20.911 1.00 0.00 C ATOM 0 H THR A 76 72.099 -3.545 -20.343 1.00 0.00 H new ATOM 0 HA THR A 76 74.238 -2.234 -18.792 1.00 0.00 H new ATOM 0 HB THR A 76 73.595 -0.297 -20.564 1.00 0.00 H new ATOM 0 HG1 THR A 76 73.295 -1.193 -22.622 1.00 0.00 H new ATOM 0 HG21 THR A 76 75.656 -0.868 -21.790 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.867 -1.043 -20.031 1.00 0.00 H new ATOM 0 HG23 THR A 76 75.644 -2.486 -21.048 1.00 0.00 H new ATOM 1228 N PRO A 77 72.524 -0.720 -17.668 1.00 0.00 N ATOM 1229 CA PRO A 77 71.498 0.030 -16.919 1.00 0.00 C ATOM 1230 C PRO A 77 70.807 1.106 -17.759 1.00 0.00 C ATOM 1231 O PRO A 77 69.609 1.354 -17.602 1.00 0.00 O ATOM 1232 CB PRO A 77 72.282 0.682 -15.777 1.00 0.00 C ATOM 1233 CG PRO A 77 73.519 -0.138 -15.637 1.00 0.00 C ATOM 1234 CD PRO A 77 73.843 -0.643 -17.017 1.00 0.00 C ATOM 0 HA PRO A 77 70.695 -0.629 -16.589 1.00 0.00 H new ATOM 0 HB2 PRO A 77 72.521 1.720 -16.006 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.704 0.684 -14.853 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.339 0.459 -15.238 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.362 -0.966 -14.946 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.514 0.034 -17.546 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.333 -1.616 -16.985 1.00 0.00 H new ATOM 1242 N LYS A 78 71.563 1.740 -18.655 1.00 0.00 N ATOM 1243 CA LYS A 78 71.019 2.789 -19.519 1.00 0.00 C ATOM 1244 C LYS A 78 70.085 2.211 -20.594 1.00 0.00 C ATOM 1245 O LYS A 78 69.243 2.922 -21.141 1.00 0.00 O ATOM 1246 CB LYS A 78 72.154 3.592 -20.168 1.00 0.00 C ATOM 1247 CG LYS A 78 72.859 2.871 -21.310 1.00 0.00 C ATOM 1248 CD LYS A 78 73.372 3.853 -22.351 1.00 0.00 C ATOM 1249 CE LYS A 78 73.544 3.191 -23.709 1.00 0.00 C ATOM 1250 NZ LYS A 78 72.393 3.474 -24.614 1.00 0.00 N ATOM 0 H LYS A 78 72.554 1.546 -18.802 1.00 0.00 H new ATOM 0 HA LYS A 78 70.427 3.458 -18.894 1.00 0.00 H new ATOM 0 HB2 LYS A 78 71.750 4.533 -20.542 1.00 0.00 H new ATOM 0 HB3 LYS A 78 72.889 3.843 -19.403 1.00 0.00 H new ATOM 0 HG2 LYS A 78 73.691 2.288 -20.916 1.00 0.00 H new ATOM 0 HG3 LYS A 78 72.171 2.168 -21.779 1.00 0.00 H new ATOM 0 HD2 LYS A 78 72.677 4.688 -22.438 1.00 0.00 H new ATOM 0 HD3 LYS A 78 74.326 4.266 -22.023 1.00 0.00 H new ATOM 0 HE2 LYS A 78 74.465 3.545 -24.172 1.00 0.00 H new ATOM 0 HE3 LYS A 78 73.647 2.114 -23.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 72.111 2.599 -25.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 71.592 3.833 -24.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 72.672 4.187 -25.318 1.00 0.00 H new ATOM 1264 N GLU A 79 70.236 0.919 -20.887 1.00 0.00 N ATOM 1265 CA GLU A 79 69.394 0.257 -21.882 1.00 0.00 C ATOM 1266 C GLU A 79 68.109 -0.263 -21.240 1.00 0.00 C ATOM 1267 O GLU A 79 67.033 -0.191 -21.833 1.00 0.00 O ATOM 1268 CB GLU A 79 70.152 -0.894 -22.550 1.00 0.00 C ATOM 1269 CG GLU A 79 70.306 -0.731 -24.056 1.00 0.00 C ATOM 1270 CD GLU A 79 71.542 0.065 -24.433 1.00 0.00 C ATOM 1271 OE1 GLU A 79 72.635 -0.250 -23.913 1.00 0.00 O ATOM 1272 OE2 GLU A 79 71.416 1.006 -25.249 1.00 0.00 O ATOM 0 H GLU A 79 70.931 0.313 -20.451 1.00 0.00 H new ATOM 0 HA GLU A 79 69.130 0.990 -22.644 1.00 0.00 H new ATOM 0 HB2 GLU A 79 71.141 -0.977 -22.099 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.630 -1.829 -22.346 1.00 0.00 H new ATOM 0 HG2 GLU A 79 70.356 -1.716 -24.521 1.00 0.00 H new ATOM 0 HG3 GLU A 79 69.422 -0.234 -24.456 1.00 0.00 H new ATOM 1279 N LEU A 80 68.232 -0.796 -20.023 1.00 0.00 N ATOM 1280 CA LEU A 80 67.073 -1.312 -19.289 1.00 0.00 C ATOM 1281 C LEU A 80 66.181 -0.176 -18.760 1.00 0.00 C ATOM 1282 O LEU A 80 65.024 -0.404 -18.410 1.00 0.00 O ATOM 1283 CB LEU A 80 67.530 -2.199 -18.121 1.00 0.00 C ATOM 1284 CG LEU A 80 68.245 -3.494 -18.520 1.00 0.00 C ATOM 1285 CD1 LEU A 80 68.813 -4.190 -17.291 1.00 0.00 C ATOM 1286 CD2 LEU A 80 67.297 -4.422 -19.265 1.00 0.00 C ATOM 0 H LEU A 80 69.118 -0.882 -19.526 1.00 0.00 H new ATOM 0 HA LEU A 80 66.484 -1.906 -19.988 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.197 -1.617 -17.484 1.00 0.00 H new ATOM 0 HB3 LEU A 80 66.658 -2.456 -17.519 1.00 0.00 H new ATOM 0 HG LEU A 80 69.070 -3.239 -19.185 1.00 0.00 H new ATOM 0 HD11 LEU A 80 69.317 -5.108 -17.593 1.00 0.00 H new ATOM 0 HD12 LEU A 80 69.526 -3.530 -16.796 1.00 0.00 H new ATOM 0 HD13 LEU A 80 68.003 -4.431 -16.602 1.00 0.00 H new ATOM 0 HD21 LEU A 80 67.824 -5.336 -19.540 1.00 0.00 H new ATOM 0 HD22 LEU A 80 66.451 -4.669 -18.624 1.00 0.00 H new ATOM 0 HD23 LEU A 80 66.936 -3.926 -20.166 1.00 0.00 H new ATOM 1298 N GLY A 81 66.726 1.044 -18.700 1.00 0.00 N ATOM 1299 CA GLY A 81 65.961 2.184 -18.219 1.00 0.00 C ATOM 1300 C GLY A 81 65.821 2.204 -16.706 1.00 0.00 C ATOM 1301 O GLY A 81 64.729 2.416 -16.182 1.00 0.00 O ATOM 0 H GLY A 81 67.684 1.259 -18.977 1.00 0.00 H new ATOM 0 HA2 GLY A 81 66.445 3.104 -18.547 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.969 2.167 -18.671 1.00 0.00 H new ATOM 1305 N MET A 82 66.928 1.994 -16.001 1.00 0.00 N ATOM 1306 CA MET A 82 66.898 1.980 -14.540 1.00 0.00 C ATOM 1307 C MET A 82 67.522 3.244 -13.939 1.00 0.00 C ATOM 1308 O MET A 82 68.717 3.497 -14.088 1.00 0.00 O ATOM 1309 CB MET A 82 67.624 0.740 -14.013 1.00 0.00 C ATOM 1310 CG MET A 82 66.702 -0.431 -13.714 1.00 0.00 C ATOM 1311 SD MET A 82 67.376 -1.541 -12.462 1.00 0.00 S ATOM 1312 CE MET A 82 68.221 -2.741 -13.489 1.00 0.00 C ATOM 0 H MET A 82 67.848 1.833 -16.410 1.00 0.00 H new ATOM 0 HA MET A 82 65.852 1.952 -14.235 1.00 0.00 H new ATOM 0 HB2 MET A 82 68.367 0.427 -14.746 1.00 0.00 H new ATOM 0 HB3 MET A 82 68.165 1.006 -13.105 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.737 -0.052 -13.377 1.00 0.00 H new ATOM 0 HG3 MET A 82 66.522 -0.991 -14.632 1.00 0.00 H new ATOM 0 HE1 MET A 82 68.690 -3.495 -12.857 1.00 0.00 H new ATOM 0 HE2 MET A 82 67.503 -3.220 -14.154 1.00 0.00 H new ATOM 0 HE3 MET A 82 68.985 -2.239 -14.082 1.00 0.00 H new ATOM 1322 N GLU A 83 66.695 4.021 -13.248 1.00 0.00 N ATOM 1323 CA GLU A 83 67.142 5.249 -12.590 1.00 0.00 C ATOM 1324 C GLU A 83 66.630 5.272 -11.150 1.00 0.00 C ATOM 1325 O GLU A 83 65.439 5.054 -10.920 1.00 0.00 O ATOM 1326 CB GLU A 83 66.645 6.481 -13.356 1.00 0.00 C ATOM 1327 CG GLU A 83 66.830 7.794 -12.608 1.00 0.00 C ATOM 1328 CD GLU A 83 66.010 8.927 -13.198 1.00 0.00 C ATOM 1329 OE1 GLU A 83 64.773 8.778 -13.295 1.00 0.00 O ATOM 1330 OE2 GLU A 83 66.606 9.960 -13.568 1.00 0.00 O ATOM 0 H GLU A 83 65.702 3.822 -13.127 1.00 0.00 H new ATOM 0 HA GLU A 83 68.232 5.273 -12.582 1.00 0.00 H new ATOM 0 HB2 GLU A 83 67.172 6.540 -14.308 1.00 0.00 H new ATOM 0 HB3 GLU A 83 65.587 6.351 -13.584 1.00 0.00 H new ATOM 0 HG2 GLU A 83 66.550 7.655 -11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 83 67.885 8.069 -12.622 1.00 0.00 H new ATOM 1337 N GLU A 84 67.534 5.523 -10.188 1.00 0.00 N ATOM 1338 CA GLU A 84 67.192 5.546 -8.748 1.00 0.00 C ATOM 1339 C GLU A 84 66.886 4.131 -8.226 1.00 0.00 C ATOM 1340 O GLU A 84 67.453 3.691 -7.227 1.00 0.00 O ATOM 1341 CB GLU A 84 66.009 6.484 -8.469 1.00 0.00 C ATOM 1342 CG GLU A 84 66.425 7.905 -8.120 1.00 0.00 C ATOM 1343 CD GLU A 84 65.480 8.948 -8.687 1.00 0.00 C ATOM 1344 OE1 GLU A 84 65.664 9.338 -9.862 1.00 0.00 O ATOM 1345 OE2 GLU A 84 64.558 9.373 -7.961 1.00 0.00 O ATOM 0 H GLU A 84 68.517 5.715 -10.380 1.00 0.00 H new ATOM 0 HA GLU A 84 68.063 5.928 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 84 65.362 6.509 -9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 84 65.419 6.076 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 84 66.468 8.011 -7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 84 67.431 8.088 -8.498 1.00 0.00 H new ATOM 1352 N GLU A 85 65.992 3.428 -8.920 1.00 0.00 N ATOM 1353 CA GLU A 85 65.609 2.056 -8.571 1.00 0.00 C ATOM 1354 C GLU A 85 66.657 1.046 -9.053 1.00 0.00 C ATOM 1355 O GLU A 85 66.435 -0.161 -9.004 1.00 0.00 O ATOM 1356 CB GLU A 85 64.238 1.705 -9.165 1.00 0.00 C ATOM 1357 CG GLU A 85 63.068 2.053 -8.257 1.00 0.00 C ATOM 1358 CD GLU A 85 62.271 0.832 -7.840 1.00 0.00 C ATOM 1359 OE1 GLU A 85 62.604 0.232 -6.796 1.00 0.00 O ATOM 1360 OE2 GLU A 85 61.309 0.476 -8.556 1.00 0.00 O ATOM 0 H GLU A 85 65.511 3.792 -9.742 1.00 0.00 H new ATOM 0 HA GLU A 85 65.549 2.000 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 85 64.118 2.229 -10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 85 64.210 0.638 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 85 63.441 2.560 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 85 62.410 2.754 -8.771 1.00 0.00 H new ATOM 1367 N ASP A 86 67.788 1.564 -9.545 1.00 0.00 N ATOM 1368 CA ASP A 86 68.905 0.754 -10.066 1.00 0.00 C ATOM 1369 C ASP A 86 69.545 -0.188 -9.016 1.00 0.00 C ATOM 1370 O ASP A 86 70.646 -0.695 -9.230 1.00 0.00 O ATOM 1371 CB ASP A 86 69.972 1.686 -10.647 1.00 0.00 C ATOM 1372 CG ASP A 86 70.684 1.098 -11.853 1.00 0.00 C ATOM 1373 OD1 ASP A 86 70.312 -0.012 -12.285 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.614 1.754 -12.369 1.00 0.00 O ATOM 0 H ASP A 86 67.959 2.568 -9.595 1.00 0.00 H new ATOM 0 HA ASP A 86 68.488 0.105 -10.836 1.00 0.00 H new ATOM 0 HB2 ASP A 86 69.506 2.629 -10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 86 70.706 1.914 -9.874 1.00 0.00 H new ATOM 1379 N VAL A 87 68.869 -0.411 -7.893 1.00 0.00 N ATOM 1380 CA VAL A 87 69.381 -1.295 -6.846 1.00 0.00 C ATOM 1381 C VAL A 87 69.070 -2.759 -7.192 1.00 0.00 C ATOM 1382 O VAL A 87 67.918 -3.124 -7.421 1.00 0.00 O ATOM 1383 CB VAL A 87 68.778 -0.940 -5.458 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.308 -0.557 -5.580 1.00 0.00 C ATOM 1385 CG2 VAL A 87 68.950 -2.088 -4.470 1.00 0.00 C ATOM 0 H VAL A 87 67.963 0.008 -7.683 1.00 0.00 H new ATOM 0 HA VAL A 87 70.461 -1.157 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 87 69.325 -0.079 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 87 66.912 -0.314 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 87 67.211 0.310 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 87 66.748 -1.393 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.518 -1.809 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.444 -2.975 -4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 87 70.011 -2.302 -4.342 1.00 0.00 H new ATOM 1395 N ILE A 88 70.105 -3.594 -7.236 1.00 0.00 N ATOM 1396 CA ILE A 88 69.927 -5.008 -7.574 1.00 0.00 C ATOM 1397 C ILE A 88 69.890 -5.887 -6.324 1.00 0.00 C ATOM 1398 O ILE A 88 70.492 -5.562 -5.298 1.00 0.00 O ATOM 1399 CB ILE A 88 71.035 -5.529 -8.523 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.893 -4.375 -9.064 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.414 -6.318 -9.671 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.957 -4.802 -10.055 1.00 0.00 C ATOM 0 H ILE A 88 71.069 -3.322 -7.044 1.00 0.00 H new ATOM 0 HA ILE A 88 68.968 -5.072 -8.088 1.00 0.00 H new ATOM 0 HB ILE A 88 71.688 -6.189 -7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 88 71.240 -3.645 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 88 72.375 -3.872 -8.226 1.00 0.00 H new ATOM 0 HG21 ILE A 88 71.202 -6.680 -10.332 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.858 -7.166 -9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.738 -5.673 -10.232 1.00 0.00 H new ATOM 0 HD11 ILE A 88 73.517 -3.928 -10.387 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.636 -5.508 -9.578 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.484 -5.278 -10.914 1.00 0.00 H new ATOM 1414 N GLU A 89 69.182 -7.009 -6.423 1.00 0.00 N ATOM 1415 CA GLU A 89 69.058 -7.943 -5.302 1.00 0.00 C ATOM 1416 C GLU A 89 69.701 -9.287 -5.638 1.00 0.00 C ATOM 1417 O GLU A 89 69.599 -9.778 -6.763 1.00 0.00 O ATOM 1418 CB GLU A 89 67.581 -8.146 -4.926 1.00 0.00 C ATOM 1419 CG GLU A 89 67.379 -8.697 -3.521 1.00 0.00 C ATOM 1420 CD GLU A 89 66.063 -8.259 -2.903 1.00 0.00 C ATOM 1421 OE1 GLU A 89 65.982 -7.105 -2.434 1.00 0.00 O ATOM 1422 OE2 GLU A 89 65.113 -9.074 -2.888 1.00 0.00 O ATOM 0 H GLU A 89 68.685 -7.295 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 89 69.582 -7.512 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 89 67.059 -7.193 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 89 67.123 -8.827 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.416 -9.786 -3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.201 -8.369 -2.885 1.00 0.00 H new ATOM 1429 N VAL A 90 70.376 -9.875 -4.657 1.00 0.00 N ATOM 1430 CA VAL A 90 71.038 -11.162 -4.848 1.00 0.00 C ATOM 1431 C VAL A 90 70.330 -12.278 -4.077 1.00 0.00 C ATOM 1432 O VAL A 90 69.975 -12.112 -2.910 1.00 0.00 O ATOM 1433 CB VAL A 90 72.517 -11.110 -4.404 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.286 -12.297 -4.961 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.164 -9.802 -4.837 1.00 0.00 C ATOM 0 H VAL A 90 70.480 -9.482 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 90 70.990 -11.377 -5.915 1.00 0.00 H new ATOM 0 HB VAL A 90 72.547 -11.162 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.325 -12.242 -4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.841 -13.223 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.244 -12.279 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.205 -9.787 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 90 73.120 -9.716 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.631 -8.965 -4.385 1.00 0.00 H new ATOM 1445 N TYR A 91 70.135 -13.414 -4.740 1.00 0.00 N ATOM 1446 CA TYR A 91 69.479 -14.569 -4.118 1.00 0.00 C ATOM 1447 C TYR A 91 70.360 -15.814 -4.218 1.00 0.00 C ATOM 1448 O TYR A 91 71.021 -16.040 -5.232 1.00 0.00 O ATOM 1449 CB TYR A 91 68.113 -14.852 -4.762 1.00 0.00 C ATOM 1450 CG TYR A 91 66.994 -13.947 -4.287 1.00 0.00 C ATOM 1451 CD1 TYR A 91 65.981 -13.562 -5.155 1.00 0.00 C ATOM 1452 CD2 TYR A 91 66.948 -13.476 -2.979 1.00 0.00 C ATOM 1453 CE1 TYR A 91 64.957 -12.734 -4.738 1.00 0.00 C ATOM 1454 CE2 TYR A 91 65.925 -12.650 -2.554 1.00 0.00 C ATOM 1455 CZ TYR A 91 64.933 -12.281 -3.436 1.00 0.00 C ATOM 1456 OH TYR A 91 63.916 -11.454 -3.016 1.00 0.00 O ATOM 0 H TYR A 91 70.420 -13.563 -5.708 1.00 0.00 H new ATOM 0 HA TYR A 91 69.323 -14.325 -3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.208 -14.754 -5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 91 67.837 -15.887 -4.559 1.00 0.00 H new ATOM 0 HD1 TYR A 91 65.994 -13.916 -6.175 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.724 -13.761 -2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.179 -12.443 -5.428 1.00 0.00 H new ATOM 0 HE2 TYR A 91 65.903 -12.295 -1.534 1.00 0.00 H new ATOM 0 HH TYR A 91 64.198 -10.519 -3.101 1.00 0.00 H new ATOM 1466 N GLN A 92 70.363 -16.619 -3.161 1.00 0.00 N ATOM 1467 CA GLN A 92 71.163 -17.843 -3.126 1.00 0.00 C ATOM 1468 C GLN A 92 70.478 -18.978 -3.891 1.00 0.00 C ATOM 1469 O GLN A 92 69.253 -19.117 -3.856 1.00 0.00 O ATOM 1470 CB GLN A 92 71.406 -18.272 -1.676 1.00 0.00 C ATOM 1471 CG GLN A 92 72.761 -17.852 -1.125 1.00 0.00 C ATOM 1472 CD GLN A 92 72.910 -18.161 0.353 1.00 0.00 C ATOM 1473 OE1 GLN A 92 73.143 -17.271 1.163 1.00 0.00 O ATOM 1474 NE2 GLN A 92 72.778 -19.429 0.712 1.00 0.00 N ATOM 0 H GLN A 92 69.820 -16.448 -2.315 1.00 0.00 H new ATOM 0 HA GLN A 92 72.117 -17.632 -3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 92 70.623 -17.850 -1.047 1.00 0.00 H new ATOM 0 HB3 GLN A 92 71.318 -19.356 -1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 92 73.549 -18.361 -1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 92 72.899 -16.783 -1.285 1.00 0.00 H new ATOM 0 HE21 GLN A 92 72.584 -20.141 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.870 -19.694 1.693 1.00 0.00 H new ATOM 1483 N GLU A 93 71.275 -19.783 -4.585 1.00 0.00 N ATOM 1484 CA GLU A 93 70.747 -20.914 -5.348 1.00 0.00 C ATOM 1485 C GLU A 93 70.783 -22.199 -4.516 1.00 0.00 C ATOM 1486 O GLU A 93 70.029 -23.138 -4.769 1.00 0.00 O ATOM 1487 CB GLU A 93 71.547 -21.106 -6.640 1.00 0.00 C ATOM 1488 CG GLU A 93 70.682 -21.419 -7.850 1.00 0.00 C ATOM 1489 CD GLU A 93 71.471 -21.445 -9.145 1.00 0.00 C ATOM 1490 OE1 GLU A 93 71.974 -22.526 -9.514 1.00 0.00 O ATOM 1491 OE2 GLU A 93 71.586 -20.380 -9.792 1.00 0.00 O ATOM 0 H GLU A 93 72.288 -19.676 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 93 69.710 -20.695 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 93 72.122 -20.202 -6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 93 72.264 -21.915 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 93 70.198 -22.385 -7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 93 69.890 -20.674 -7.927 1.00 0.00 H new