USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 367 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 30 LYS NZ :NH3+ -108:sc= -0.465 (180deg=-1.66) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0.035) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 57 HIS : no HE2:sc= 0.403 K(o=0.4,f=-2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.492 F(o=-4!,f=-0.49) USER MOD Single : A 77 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.3) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -3.74! C(o=-3.7!,f=-4.5!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc=-0.00952 X(o=-0.0095,f=0) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -6.349 32.335 17.087 1.00 42.13 N ATOM 281 CA LYS A 23 -7.447 31.460 16.694 1.00 45.43 C ATOM 282 C LYS A 23 -7.299 31.019 15.242 1.00 0.00 C ATOM 283 O LYS A 23 -6.962 29.869 14.963 1.00 42.52 O ATOM 284 CB LYS A 23 -8.789 32.172 16.888 1.00 53.32 C ATOM 285 CG LYS A 23 -8.714 33.676 16.689 1.00 35.31 C ATOM 286 CD LYS A 23 -9.997 34.223 16.086 1.00 44.34 C ATOM 287 CE LYS A 23 -10.145 33.818 14.628 1.00 21.54 C ATOM 288 NZ LYS A 23 -11.553 33.935 14.160 1.00 21.33 N ATOM 0 HA LYS A 23 -7.417 30.574 17.329 1.00 45.43 H new ATOM 0 HB2 LYS A 23 -9.515 31.757 16.189 1.00 53.32 H new ATOM 0 HB3 LYS A 23 -9.159 31.965 17.892 1.00 53.32 H new ATOM 0 HG2 LYS A 23 -8.525 34.162 17.646 1.00 35.31 H new ATOM 0 HG3 LYS A 23 -7.873 33.916 16.038 1.00 35.31 H new ATOM 0 HD2 LYS A 23 -10.852 33.858 16.655 1.00 44.34 H new ATOM 0 HD3 LYS A 23 -10.003 35.310 16.165 1.00 44.34 H new ATOM 0 HE2 LYS A 23 -9.504 34.446 14.010 1.00 21.54 H new ATOM 0 HE3 LYS A 23 -9.804 32.791 14.500 1.00 21.54 H new ATOM 0 HZ1 LYS A 23 -11.612 33.650 13.162 1.00 21.33 H new ATOM 0 HZ2 LYS A 23 -12.162 33.317 14.733 1.00 21.33 H new ATOM 0 HZ3 LYS A 23 -11.871 34.920 14.258 1.00 21.33 H new ATOM 298 N SER A 24 -7.552 31.942 14.320 1.00 30.12 N ATOM 299 CA SER A 24 -7.449 31.648 12.895 1.00 52.51 C ATOM 300 C SER A 24 -6.280 30.706 12.618 1.00 2.13 C ATOM 301 O SER A 24 -6.322 29.906 11.684 1.00 13.34 O ATOM 302 CB SER A 24 -7.276 32.942 12.097 1.00 71.15 C ATOM 303 OG SER A 24 -8.342 33.120 11.178 1.00 14.53 O ATOM 0 H SER A 24 -7.830 32.900 14.534 1.00 30.12 H new ATOM 0 HA SER A 24 -8.371 31.157 12.583 1.00 52.51 H new ATOM 0 HB2 SER A 24 -7.234 33.791 12.779 1.00 71.15 H new ATOM 0 HB3 SER A 24 -6.328 32.918 11.559 1.00 71.15 H new ATOM 0 HG SER A 24 -8.210 33.954 10.681 1.00 14.53 H new ATOM 308 N TYR A 25 -5.239 30.810 13.437 1.00 21.42 N ATOM 309 CA TYR A 25 -4.057 29.970 13.280 1.00 45.12 C ATOM 310 C TYR A 25 -4.252 28.623 13.968 1.00 11.54 C ATOM 311 O TYR A 25 -4.127 27.570 13.343 1.00 11.43 O ATOM 312 CB TYR A 25 -2.826 30.675 13.852 1.00 32.22 C ATOM 313 CG TYR A 25 -2.545 32.017 13.213 1.00 65.54 C ATOM 314 CD1 TYR A 25 -3.455 33.062 13.315 1.00 60.14 C ATOM 315 CD2 TYR A 25 -1.369 32.240 12.506 1.00 44.50 C ATOM 316 CE1 TYR A 25 -3.204 34.288 12.733 1.00 22.12 C ATOM 317 CE2 TYR A 25 -1.108 33.464 11.922 1.00 1.12 C ATOM 318 CZ TYR A 25 -2.029 34.484 12.037 1.00 24.25 C ATOM 319 OH TYR A 25 -1.773 35.706 11.457 1.00 30.10 O ATOM 0 H TYR A 25 -5.190 31.467 14.216 1.00 21.42 H new ATOM 0 HA TYR A 25 -3.905 29.795 12.215 1.00 45.12 H new ATOM 0 HB2 TYR A 25 -2.963 30.814 14.924 1.00 32.22 H new ATOM 0 HB3 TYR A 25 -1.956 30.031 13.723 1.00 32.22 H new ATOM 0 HD1 TYR A 25 -4.376 32.912 13.860 1.00 60.14 H new ATOM 0 HD2 TYR A 25 -0.647 31.442 12.412 1.00 44.50 H new ATOM 0 HE1 TYR A 25 -3.923 35.089 12.822 1.00 22.12 H new ATOM 0 HE2 TYR A 25 -0.188 33.621 11.378 1.00 1.12 H new ATOM 0 HH TYR A 25 -0.903 35.678 11.006 1.00 30.10 H new ATOM 328 N ALA A 26 -4.557 28.664 15.262 1.00 23.54 N ATOM 329 CA ALA A 26 -4.771 27.449 16.035 1.00 42.50 C ATOM 330 C ALA A 26 -6.073 26.765 15.634 1.00 54.43 C ATOM 331 O ALA A 26 -6.098 25.562 15.376 1.00 14.31 O ATOM 332 CB ALA A 26 -4.775 27.765 17.524 1.00 73.34 C ATOM 0 H ALA A 26 -4.661 29.527 15.796 1.00 23.54 H new ATOM 0 HA ALA A 26 -3.951 26.763 15.822 1.00 42.50 H new ATOM 0 HB1 ALA A 26 -4.936 26.848 18.090 1.00 73.34 H new ATOM 0 HB2 ALA A 26 -3.817 28.202 17.806 1.00 73.34 H new ATOM 0 HB3 ALA A 26 -5.575 28.472 17.744 1.00 73.34 H new ATOM 338 N GLU A 27 -7.152 27.538 15.584 1.00 44.11 N ATOM 339 CA GLU A 27 -8.458 27.005 15.215 1.00 54.43 C ATOM 340 C GLU A 27 -8.365 26.171 13.941 1.00 1.21 C ATOM 341 O GLU A 27 -8.728 24.995 13.929 1.00 65.21 O ATOM 342 CB GLU A 27 -9.463 28.142 15.022 1.00 31.22 C ATOM 343 CG GLU A 27 -10.893 27.666 14.827 1.00 11.31 C ATOM 344 CD GLU A 27 -11.785 28.006 16.005 1.00 41.23 C ATOM 345 OE1 GLU A 27 -11.943 29.209 16.302 1.00 32.43 O ATOM 346 OE2 GLU A 27 -12.328 27.070 16.629 1.00 13.25 O ATOM 0 H GLU A 27 -7.148 28.536 15.794 1.00 44.11 H new ATOM 0 HA GLU A 27 -8.801 26.362 16.025 1.00 54.43 H new ATOM 0 HB2 GLU A 27 -9.424 28.801 15.889 1.00 31.22 H new ATOM 0 HB3 GLU A 27 -9.166 28.735 14.157 1.00 31.22 H new ATOM 0 HG2 GLU A 27 -11.303 28.117 13.923 1.00 11.31 H new ATOM 0 HG3 GLU A 27 -10.895 26.587 14.673 1.00 11.31 H new ATOM 351 N GLN A 28 -7.876 26.789 12.872 1.00 34.54 N ATOM 352 CA GLN A 28 -7.736 26.105 11.591 1.00 4.01 C ATOM 353 C GLN A 28 -7.086 24.737 11.773 1.00 45.23 C ATOM 354 O GLN A 28 -7.456 23.770 11.110 1.00 41.02 O ATOM 355 CB GLN A 28 -6.908 26.952 10.623 1.00 2.51 C ATOM 356 CG GLN A 28 -7.737 27.629 9.545 1.00 23.51 C ATOM 357 CD GLN A 28 -6.952 27.876 8.272 1.00 54.51 C ATOM 358 OE1 GLN A 28 -5.733 28.051 8.306 1.00 73.21 O ATOM 359 NE2 GLN A 28 -7.646 27.889 7.140 1.00 10.24 N ATOM 0 H GLN A 28 -7.570 27.762 12.866 1.00 34.54 H new ATOM 0 HA GLN A 28 -8.733 25.961 11.174 1.00 4.01 H new ATOM 0 HB2 GLN A 28 -6.371 27.713 11.188 1.00 2.51 H new ATOM 0 HB3 GLN A 28 -6.158 26.318 10.149 1.00 2.51 H new ATOM 0 HG2 GLN A 28 -8.605 27.010 9.317 1.00 23.51 H new ATOM 0 HG3 GLN A 28 -8.114 28.579 9.925 1.00 23.51 H new ATOM 0 HE21 GLN A 28 -8.655 27.739 7.159 1.00 10.24 H new ATOM 0 HE22 GLN A 28 -7.170 28.049 6.252 1.00 10.24 H new ATOM 366 N GLY A 29 -6.114 24.666 12.677 1.00 51.25 N ATOM 367 CA GLY A 29 -5.427 23.412 12.930 1.00 61.11 C ATOM 368 C GLY A 29 -6.301 22.408 13.657 1.00 34.15 C ATOM 369 O GLY A 29 -6.340 21.232 13.295 1.00 3.51 O ATOM 0 H GLY A 29 -5.790 25.453 13.239 1.00 51.25 H new ATOM 0 HA2 GLY A 29 -5.098 22.984 11.983 1.00 61.11 H new ATOM 0 HA3 GLY A 29 -4.532 23.605 13.521 1.00 61.11 H new ATOM 372 N LYS A 30 -7.003 22.873 14.685 1.00 55.31 N ATOM 373 CA LYS A 30 -7.880 22.008 15.465 1.00 53.14 C ATOM 374 C LYS A 30 -9.061 21.531 14.626 1.00 34.32 C ATOM 375 O LYS A 30 -9.351 20.336 14.569 1.00 22.22 O ATOM 376 CB LYS A 30 -8.388 22.747 16.705 1.00 1.21 C ATOM 377 CG LYS A 30 -7.746 22.278 17.999 1.00 50.20 C ATOM 378 CD LYS A 30 -7.661 23.400 19.019 1.00 32.12 C ATOM 379 CE LYS A 30 -6.713 24.499 18.561 1.00 53.11 C ATOM 380 NZ LYS A 30 -7.359 25.840 18.600 1.00 33.34 N ATOM 0 H LYS A 30 -6.982 23.844 14.997 1.00 55.31 H new ATOM 0 HA LYS A 30 -7.304 21.137 15.778 1.00 53.14 H new ATOM 0 HB2 LYS A 30 -8.202 23.814 16.583 1.00 1.21 H new ATOM 0 HB3 LYS A 30 -9.468 22.618 16.777 1.00 1.21 H new ATOM 0 HG2 LYS A 30 -8.323 21.451 18.414 1.00 50.20 H new ATOM 0 HG3 LYS A 30 -6.746 21.897 17.792 1.00 50.20 H new ATOM 0 HD2 LYS A 30 -8.654 23.819 19.184 1.00 32.12 H new ATOM 0 HD3 LYS A 30 -7.321 23.000 19.974 1.00 32.12 H new ATOM 0 HE2 LYS A 30 -5.828 24.504 19.197 1.00 53.11 H new ATOM 0 HE3 LYS A 30 -6.375 24.288 17.546 1.00 53.11 H new ATOM 0 HZ1 LYS A 30 -7.545 26.164 17.629 1.00 33.34 H new ATOM 0 HZ2 LYS A 30 -8.256 25.778 19.122 1.00 33.34 H new ATOM 0 HZ3 LYS A 30 -6.728 26.516 19.076 1.00 33.34 H new ATOM 390 N GLU A 31 -9.737 22.473 13.974 1.00 52.20 N ATOM 391 CA GLU A 31 -10.886 22.146 13.137 1.00 4.40 C ATOM 392 C GLU A 31 -10.594 20.932 12.261 1.00 22.24 C ATOM 393 O GLU A 31 -11.499 20.179 11.903 1.00 41.14 O ATOM 394 CB GLU A 31 -11.263 23.342 12.261 1.00 5.25 C ATOM 395 CG GLU A 31 -11.721 24.557 13.053 1.00 34.45 C ATOM 396 CD GLU A 31 -12.936 25.227 12.442 1.00 54.23 C ATOM 397 OE1 GLU A 31 -12.761 26.023 11.495 1.00 55.15 O ATOM 398 OE2 GLU A 31 -14.061 24.956 12.910 1.00 64.33 O ATOM 0 H GLU A 31 -9.509 23.467 14.009 1.00 52.20 H new ATOM 0 HA GLU A 31 -11.723 21.906 13.792 1.00 4.40 H new ATOM 0 HB2 GLU A 31 -10.404 23.620 11.650 1.00 5.25 H new ATOM 0 HB3 GLU A 31 -12.057 23.044 11.577 1.00 5.25 H new ATOM 0 HG2 GLU A 31 -11.953 24.254 14.074 1.00 34.45 H new ATOM 0 HG3 GLU A 31 -10.905 25.277 13.111 1.00 34.45 H new ATOM 403 N TYR A 32 -9.323 20.749 11.919 1.00 44.31 N ATOM 404 CA TYR A 32 -8.910 19.628 11.083 1.00 23.32 C ATOM 405 C TYR A 32 -8.914 18.326 11.877 1.00 71.32 C ATOM 406 O TYR A 32 -9.277 17.270 11.356 1.00 3.55 O ATOM 407 CB TYR A 32 -7.518 19.883 10.505 1.00 34.41 C ATOM 408 CG TYR A 32 -6.803 18.623 10.070 1.00 41.11 C ATOM 409 CD1 TYR A 32 -6.266 17.747 11.007 1.00 73.51 C ATOM 410 CD2 TYR A 32 -6.666 18.307 8.724 1.00 34.23 C ATOM 411 CE1 TYR A 32 -5.612 16.596 10.614 1.00 44.24 C ATOM 412 CE2 TYR A 32 -6.014 17.157 8.323 1.00 0.13 C ATOM 413 CZ TYR A 32 -5.489 16.305 9.271 1.00 51.22 C ATOM 414 OH TYR A 32 -4.839 15.158 8.876 1.00 11.50 O ATOM 0 H TYR A 32 -8.561 21.363 12.208 1.00 44.31 H new ATOM 0 HA TYR A 32 -9.624 19.534 10.265 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -7.606 20.554 9.651 1.00 34.41 H new ATOM 0 HB3 TYR A 32 -6.912 20.395 11.252 1.00 34.41 H new ATOM 0 HD1 TYR A 32 -6.362 17.970 12.059 1.00 73.51 H new ATOM 0 HD2 TYR A 32 -7.076 18.972 7.978 1.00 34.23 H new ATOM 0 HE1 TYR A 32 -5.199 15.927 11.354 1.00 44.24 H new ATOM 0 HE2 TYR A 32 -5.916 16.927 7.272 1.00 0.13 H new ATOM 0 HH TYR A 32 -4.841 15.101 7.898 1.00 11.50 H new ATOM 423 N ILE A 33 -8.508 18.409 13.139 1.00 34.33 N ATOM 424 CA ILE A 33 -8.465 17.237 14.006 1.00 62.32 C ATOM 425 C ILE A 33 -9.770 17.077 14.776 1.00 42.13 C ATOM 426 O ILE A 33 -10.447 16.052 14.669 1.00 4.44 O ATOM 427 CB ILE A 33 -7.297 17.320 15.007 1.00 61.25 C ATOM 428 CG1 ILE A 33 -7.686 16.663 16.333 1.00 24.23 C ATOM 429 CG2 ILE A 33 -6.890 18.769 15.227 1.00 21.13 C ATOM 430 CD1 ILE A 33 -6.583 16.689 17.367 1.00 34.03 C ATOM 0 H ILE A 33 -8.204 19.275 13.584 1.00 34.33 H new ATOM 0 HA ILE A 33 -8.318 16.371 13.361 1.00 62.32 H new ATOM 0 HB ILE A 33 -6.444 16.782 14.593 1.00 61.25 H new ATOM 0 HG12 ILE A 33 -8.563 17.169 16.736 1.00 24.23 H new ATOM 0 HG13 ILE A 33 -7.973 15.628 16.146 1.00 24.23 H new ATOM 0 HG21 ILE A 33 -6.064 18.811 15.937 1.00 21.13 H new ATOM 0 HG22 ILE A 33 -6.577 19.207 14.279 1.00 21.13 H new ATOM 0 HG23 ILE A 33 -7.737 19.329 15.623 1.00 21.13 H new ATOM 0 HD11 ILE A 33 -6.929 16.206 18.281 1.00 34.03 H new ATOM 0 HD12 ILE A 33 -5.712 16.157 16.983 1.00 34.03 H new ATOM 0 HD13 ILE A 33 -6.311 17.722 17.583 1.00 34.03 H new ATOM 441 N THR A 34 -10.122 18.096 15.554 1.00 30.31 N ATOM 442 CA THR A 34 -11.348 18.069 16.343 1.00 32.23 C ATOM 443 C THR A 34 -12.501 17.470 15.547 1.00 22.20 C ATOM 444 O THR A 34 -13.276 16.667 16.067 1.00 25.14 O ATOM 445 CB THR A 34 -11.743 19.481 16.815 1.00 72.24 C ATOM 446 OG1 THR A 34 -13.027 19.444 17.448 1.00 34.51 O ATOM 447 CG2 THR A 34 -11.776 20.453 15.645 1.00 63.23 C ATOM 0 H THR A 34 -9.575 18.951 15.655 1.00 30.31 H new ATOM 0 HA THR A 34 -11.150 17.445 17.214 1.00 32.23 H new ATOM 0 HB THR A 34 -10.996 19.824 17.530 1.00 72.24 H new ATOM 0 HG1 THR A 34 -13.271 20.345 17.747 1.00 34.51 H new ATOM 0 HG21 THR A 34 -12.057 21.443 16.003 1.00 63.23 H new ATOM 0 HG22 THR A 34 -10.790 20.500 15.183 1.00 63.23 H new ATOM 0 HG23 THR A 34 -12.505 20.112 14.909 1.00 63.23 H new ATOM 604 N PRO A 46 -14.246 -0.971 19.170 1.00 73.40 N ATOM 605 CA PRO A 46 -14.514 -2.186 18.394 1.00 74.32 C ATOM 606 C PRO A 46 -15.752 -2.928 18.888 1.00 21.43 C ATOM 607 O PRO A 46 -16.272 -3.808 18.204 1.00 75.55 O ATOM 608 CB PRO A 46 -13.259 -3.033 18.618 1.00 74.50 C ATOM 609 CG PRO A 46 -12.712 -2.564 19.921 1.00 24.20 C ATOM 610 CD PRO A 46 -13.039 -1.098 20.004 1.00 72.42 C ATOM 0 HA PRO A 46 -14.715 -1.964 17.346 1.00 74.32 H new ATOM 0 HB2 PRO A 46 -13.499 -4.096 18.649 1.00 74.50 H new ATOM 0 HB3 PRO A 46 -12.538 -2.893 17.813 1.00 74.50 H new ATOM 0 HG2 PRO A 46 -13.159 -3.111 20.751 1.00 24.20 H new ATOM 0 HG3 PRO A 46 -11.636 -2.727 19.974 1.00 24.20 H new ATOM 0 HD2 PRO A 46 -13.226 -0.785 21.031 1.00 72.42 H new ATOM 0 HD3 PRO A 46 -12.223 -0.482 19.626 1.00 72.42 H new ATOM 615 N GLU A 47 -16.218 -2.565 20.078 1.00 5.55 N ATOM 616 CA GLU A 47 -17.395 -3.197 20.663 1.00 63.21 C ATOM 617 C GLU A 47 -18.665 -2.445 20.275 1.00 71.13 C ATOM 618 O GLU A 47 -19.774 -2.865 20.607 1.00 24.01 O ATOM 619 CB GLU A 47 -17.268 -3.253 22.186 1.00 14.14 C ATOM 620 CG GLU A 47 -16.897 -1.920 22.816 1.00 53.14 C ATOM 621 CD GLU A 47 -17.392 -1.793 24.244 1.00 71.12 C ATOM 622 OE1 GLU A 47 -17.142 -2.718 25.044 1.00 2.10 O ATOM 623 OE2 GLU A 47 -18.030 -0.767 24.560 1.00 32.34 O ATOM 0 H GLU A 47 -15.799 -1.837 20.656 1.00 5.55 H new ATOM 0 HA GLU A 47 -17.461 -4.213 20.274 1.00 63.21 H new ATOM 0 HB2 GLU A 47 -18.213 -3.594 22.609 1.00 14.14 H new ATOM 0 HB3 GLU A 47 -16.514 -3.993 22.452 1.00 14.14 H new ATOM 0 HG2 GLU A 47 -15.813 -1.803 22.799 1.00 53.14 H new ATOM 0 HG3 GLU A 47 -17.314 -1.110 22.217 1.00 53.14 H new ATOM 628 N ASP A 48 -18.495 -1.331 19.571 1.00 74.42 N ATOM 629 CA ASP A 48 -19.626 -0.521 19.136 1.00 3.01 C ATOM 630 C ASP A 48 -20.262 -1.104 17.879 1.00 72.34 C ATOM 631 O ASP A 48 -21.225 -0.553 17.346 1.00 34.43 O ATOM 632 CB ASP A 48 -19.180 0.919 18.877 1.00 30.42 C ATOM 633 CG ASP A 48 -19.171 1.760 20.138 1.00 53.33 C ATOM 634 OD1 ASP A 48 -19.335 1.184 21.235 1.00 4.10 O ATOM 635 OD2 ASP A 48 -18.998 2.991 20.029 1.00 11.11 O ATOM 0 H ASP A 48 -17.584 -0.969 19.290 1.00 74.42 H new ATOM 0 HA ASP A 48 -20.371 -0.525 19.932 1.00 3.01 H new ATOM 0 HB2 ASP A 48 -18.181 0.914 18.441 1.00 30.42 H new ATOM 0 HB3 ASP A 48 -19.845 1.376 18.144 1.00 30.42 H new ATOM 639 N ASN A 49 -19.716 -2.222 17.409 1.00 44.12 N ATOM 640 CA ASN A 49 -20.230 -2.879 16.213 1.00 2.14 C ATOM 641 C ASN A 49 -21.700 -3.249 16.384 1.00 12.13 C ATOM 642 O ASN A 49 -22.429 -3.412 15.406 1.00 34.51 O ATOM 643 CB ASN A 49 -19.409 -4.133 15.903 1.00 62.12 C ATOM 644 CG ASN A 49 -19.485 -4.526 14.441 1.00 72.21 C ATOM 645 OD1 ASN A 49 -20.507 -5.027 13.973 1.00 74.13 O ATOM 646 ND2 ASN A 49 -18.398 -4.300 13.711 1.00 62.31 N ATOM 0 H ASN A 49 -18.918 -2.691 17.838 1.00 44.12 H new ATOM 0 HA ASN A 49 -20.145 -2.181 15.380 1.00 2.14 H new ATOM 0 HB2 ASN A 49 -18.368 -3.959 16.176 1.00 62.12 H new ATOM 0 HB3 ASN A 49 -19.766 -4.959 16.518 1.00 62.12 H new ATOM 0 HD21 ASN A 49 -18.389 -4.544 12.721 1.00 62.31 H new ATOM 0 HD22 ASN A 49 -17.573 -3.882 14.141 1.00 62.31 H new ATOM 652 N LYS A 50 -22.131 -3.378 17.635 1.00 75.12 N ATOM 653 CA LYS A 50 -23.514 -3.728 17.936 1.00 21.45 C ATOM 654 C LYS A 50 -24.286 -2.508 18.430 1.00 50.42 C ATOM 655 O LYS A 50 -25.516 -2.486 18.398 1.00 33.43 O ATOM 656 CB LYS A 50 -23.565 -4.838 18.986 1.00 13.43 C ATOM 657 CG LYS A 50 -24.956 -5.089 19.541 1.00 20.54 C ATOM 658 CD LYS A 50 -25.907 -5.576 18.461 1.00 72.51 C ATOM 659 CE LYS A 50 -26.951 -6.526 19.025 1.00 60.34 C ATOM 660 NZ LYS A 50 -27.675 -7.258 17.948 1.00 52.53 N ATOM 0 H LYS A 50 -21.542 -3.245 18.457 1.00 75.12 H new ATOM 0 HA LYS A 50 -23.981 -4.086 17.018 1.00 21.45 H new ATOM 0 HB2 LYS A 50 -23.187 -5.761 18.545 1.00 13.43 H new ATOM 0 HB3 LYS A 50 -22.897 -4.580 19.807 1.00 13.43 H new ATOM 0 HG2 LYS A 50 -24.902 -5.828 20.340 1.00 20.54 H new ATOM 0 HG3 LYS A 50 -25.344 -4.171 19.982 1.00 20.54 H new ATOM 0 HD2 LYS A 50 -26.402 -4.722 17.999 1.00 72.51 H new ATOM 0 HD3 LYS A 50 -25.342 -6.079 17.677 1.00 72.51 H new ATOM 0 HE2 LYS A 50 -26.469 -7.242 19.690 1.00 60.34 H new ATOM 0 HE3 LYS A 50 -27.666 -5.964 19.626 1.00 60.34 H new ATOM 0 HZ1 LYS A 50 -28.378 -7.895 18.374 1.00 52.53 H new ATOM 0 HZ2 LYS A 50 -28.157 -6.576 17.328 1.00 52.53 H new ATOM 0 HZ3 LYS A 50 -26.996 -7.814 17.390 1.00 52.53 H new ATOM 670 N GLY A 51 -23.556 -1.496 18.889 1.00 55.01 N ATOM 671 CA GLY A 51 -24.191 -0.288 19.383 1.00 52.41 C ATOM 672 C GLY A 51 -24.924 0.468 18.294 1.00 23.42 C ATOM 673 O GLY A 51 -25.932 1.125 18.555 1.00 60.45 O ATOM 0 H GLY A 51 -22.537 -1.491 18.928 1.00 55.01 H new ATOM 0 HA2 GLY A 51 -24.892 -0.548 20.176 1.00 52.41 H new ATOM 0 HA3 GLY A 51 -23.435 0.361 19.826 1.00 52.41 H new ATOM 676 N VAL A 52 -24.418 0.379 17.068 1.00 11.23 N ATOM 677 CA VAL A 52 -25.031 1.061 15.935 1.00 44.44 C ATOM 678 C VAL A 52 -26.443 0.545 15.683 1.00 64.14 C ATOM 679 O VAL A 52 -27.349 1.315 15.362 1.00 20.04 O ATOM 680 CB VAL A 52 -24.195 0.883 14.653 1.00 3.13 C ATOM 681 CG1 VAL A 52 -22.776 1.385 14.868 1.00 12.15 C ATOM 682 CG2 VAL A 52 -24.195 -0.573 14.216 1.00 33.22 C ATOM 0 H VAL A 52 -23.584 -0.160 16.834 1.00 11.23 H new ATOM 0 HA VAL A 52 -25.073 2.120 16.188 1.00 44.44 H new ATOM 0 HB VAL A 52 -24.648 1.476 13.858 1.00 3.13 H new ATOM 0 HG11 VAL A 52 -22.200 1.251 13.952 1.00 12.15 H new ATOM 0 HG12 VAL A 52 -22.800 2.443 15.130 1.00 12.15 H new ATOM 0 HG13 VAL A 52 -22.309 0.821 15.676 1.00 12.15 H new ATOM 0 HG21 VAL A 52 -23.600 -0.681 13.309 1.00 33.22 H new ATOM 0 HG22 VAL A 52 -23.767 -1.190 15.006 1.00 33.22 H new ATOM 0 HG23 VAL A 52 -25.218 -0.894 14.019 1.00 33.22 H new ATOM 692 N PHE A 53 -26.626 -0.763 15.831 1.00 5.13 N ATOM 693 CA PHE A 53 -27.929 -1.381 15.619 1.00 55.31 C ATOM 694 C PHE A 53 -28.729 -1.423 16.918 1.00 53.35 C ATOM 695 O PHE A 53 -29.921 -1.732 16.914 1.00 3.14 O ATOM 696 CB PHE A 53 -27.759 -2.798 15.065 1.00 75.44 C ATOM 697 CG PHE A 53 -27.403 -2.832 13.606 1.00 20.14 C ATOM 698 CD1 PHE A 53 -28.350 -2.531 12.640 1.00 2.24 C ATOM 699 CD2 PHE A 53 -26.120 -3.165 13.200 1.00 2.31 C ATOM 700 CE1 PHE A 53 -28.024 -2.563 11.298 1.00 31.35 C ATOM 701 CE2 PHE A 53 -25.789 -3.197 11.859 1.00 54.50 C ATOM 702 CZ PHE A 53 -26.742 -2.895 10.907 1.00 15.32 C ATOM 0 H PHE A 53 -25.888 -1.415 16.097 1.00 5.13 H new ATOM 0 HA PHE A 53 -28.477 -0.778 14.895 1.00 55.31 H new ATOM 0 HB2 PHE A 53 -26.982 -3.311 15.632 1.00 75.44 H new ATOM 0 HB3 PHE A 53 -28.685 -3.353 15.218 1.00 75.44 H new ATOM 0 HD1 PHE A 53 -29.354 -2.269 12.940 1.00 2.24 H new ATOM 0 HD2 PHE A 53 -25.371 -3.402 13.941 1.00 2.31 H new ATOM 0 HE1 PHE A 53 -28.772 -2.328 10.555 1.00 31.35 H new ATOM 0 HE2 PHE A 53 -24.786 -3.458 11.556 1.00 54.50 H new ATOM 0 HZ PHE A 53 -26.485 -2.918 9.858 1.00 15.32 H new ATOM 711 N GLN A 54 -28.064 -1.113 18.026 1.00 12.51 N ATOM 712 CA GLN A 54 -28.712 -1.118 19.332 1.00 30.02 C ATOM 713 C GLN A 54 -29.777 -0.028 19.414 1.00 2.10 C ATOM 714 O GLN A 54 -30.873 -0.255 19.925 1.00 75.10 O ATOM 715 CB GLN A 54 -27.677 -0.919 20.439 1.00 10.55 C ATOM 716 CG GLN A 54 -28.288 -0.603 21.795 1.00 21.41 C ATOM 717 CD GLN A 54 -29.179 -1.718 22.308 1.00 13.44 C ATOM 718 OE1 GLN A 54 -28.859 -2.898 22.166 1.00 13.14 O ATOM 719 NE2 GLN A 54 -30.303 -1.348 22.908 1.00 64.43 N ATOM 0 H GLN A 54 -27.077 -0.855 18.045 1.00 12.51 H new ATOM 0 HA GLN A 54 -29.196 -2.086 19.466 1.00 30.02 H new ATOM 0 HB2 GLN A 54 -27.071 -1.821 20.524 1.00 10.55 H new ATOM 0 HB3 GLN A 54 -27.005 -0.109 20.155 1.00 10.55 H new ATOM 0 HG2 GLN A 54 -27.490 -0.420 22.515 1.00 21.41 H new ATOM 0 HG3 GLN A 54 -28.869 0.317 21.722 1.00 21.41 H new ATOM 0 HE21 GLN A 54 -30.528 -0.358 23.004 1.00 64.43 H new ATOM 0 HE22 GLN A 54 -30.942 -2.054 23.274 1.00 64.43 H new ATOM 726 N GLY A 55 -29.445 1.156 18.908 1.00 3.51 N ATOM 727 CA GLY A 55 -30.383 2.263 18.935 1.00 41.21 C ATOM 728 C GLY A 55 -31.229 2.337 17.679 1.00 2.01 C ATOM 729 O GLY A 55 -32.238 3.041 17.641 1.00 13.41 O ATOM 0 H GLY A 55 -28.544 1.368 18.480 1.00 3.51 H new ATOM 0 HA2 GLY A 55 -31.035 2.162 19.803 1.00 41.21 H new ATOM 0 HA3 GLY A 55 -29.834 3.197 19.055 1.00 41.21 H new ATOM 732 N VAL A 56 -30.815 1.611 16.645 1.00 53.23 N ATOM 733 CA VAL A 56 -31.541 1.597 15.381 1.00 22.14 C ATOM 734 C VAL A 56 -32.594 0.494 15.364 1.00 25.41 C ATOM 735 O VAL A 56 -33.770 0.749 15.099 1.00 52.50 O ATOM 736 CB VAL A 56 -30.587 1.399 14.189 1.00 71.41 C ATOM 737 CG1 VAL A 56 -31.279 0.631 13.072 1.00 4.12 C ATOM 738 CG2 VAL A 56 -30.077 2.742 13.687 1.00 35.11 C ATOM 0 H VAL A 56 -29.980 1.025 16.658 1.00 53.23 H new ATOM 0 HA VAL A 56 -32.032 2.565 15.287 1.00 22.14 H new ATOM 0 HB VAL A 56 -29.731 0.813 14.524 1.00 71.41 H new ATOM 0 HG11 VAL A 56 -30.589 0.501 12.238 1.00 4.12 H new ATOM 0 HG12 VAL A 56 -31.591 -0.346 13.441 1.00 4.12 H new ATOM 0 HG13 VAL A 56 -32.154 1.188 12.736 1.00 4.12 H new ATOM 0 HG21 VAL A 56 -29.404 2.584 12.844 1.00 35.11 H new ATOM 0 HG22 VAL A 56 -30.920 3.355 13.368 1.00 35.11 H new ATOM 0 HG23 VAL A 56 -29.541 3.250 14.489 1.00 35.11 H new ATOM 748 N HIS A 57 -32.165 -0.731 15.647 1.00 4.14 N ATOM 749 CA HIS A 57 -33.071 -1.873 15.665 1.00 74.33 C ATOM 750 C HIS A 57 -34.261 -1.608 16.583 1.00 71.23 C ATOM 751 O HIS A 57 -35.345 -2.158 16.383 1.00 25.31 O ATOM 752 CB HIS A 57 -32.331 -3.131 16.120 1.00 71.02 C ATOM 753 CG HIS A 57 -32.979 -4.404 15.668 1.00 14.33 C ATOM 754 ND1 HIS A 57 -34.278 -4.466 15.211 1.00 60.14 N ATOM 755 CD2 HIS A 57 -32.497 -5.668 15.603 1.00 72.42 C ATOM 756 CE1 HIS A 57 -34.570 -5.713 14.887 1.00 34.34 C ATOM 757 NE2 HIS A 57 -33.505 -6.462 15.114 1.00 42.01 N ATOM 0 H HIS A 57 -31.195 -0.958 15.867 1.00 4.14 H new ATOM 0 HA HIS A 57 -33.443 -2.026 14.652 1.00 74.33 H new ATOM 0 HB2 HIS A 57 -31.309 -3.099 15.741 1.00 71.02 H new ATOM 0 HB3 HIS A 57 -32.268 -3.132 17.208 1.00 71.02 H new ATOM 0 HD1 HIS A 57 -34.915 -3.673 15.135 1.00 60.14 H new ATOM 0 HD2 HIS A 57 -31.505 -5.991 15.883 1.00 72.42 H new ATOM 0 HE1 HIS A 57 -35.517 -6.061 14.502 1.00 34.34 H new ATOM 764 N ASP A 58 -34.051 -0.766 17.587 1.00 51.11 N ATOM 765 CA ASP A 58 -35.106 -0.428 18.536 1.00 53.32 C ATOM 766 C ASP A 58 -36.335 0.111 17.812 1.00 72.54 C ATOM 767 O ASP A 58 -37.455 0.017 18.314 1.00 11.21 O ATOM 768 CB ASP A 58 -34.601 0.603 19.547 1.00 52.12 C ATOM 769 CG ASP A 58 -35.731 1.266 20.309 1.00 43.51 C ATOM 770 OD1 ASP A 58 -36.615 0.540 20.812 1.00 32.34 O ATOM 771 OD2 ASP A 58 -35.731 2.511 20.407 1.00 75.51 O ATOM 0 H ASP A 58 -33.159 -0.304 17.766 1.00 51.11 H new ATOM 0 HA ASP A 58 -35.389 -1.337 19.067 1.00 53.32 H new ATOM 0 HB2 ASP A 58 -33.927 0.117 20.252 1.00 52.12 H new ATOM 0 HB3 ASP A 58 -34.021 1.365 19.026 1.00 52.12 H new ATOM 775 N SER A 59 -36.118 0.677 16.628 1.00 52.22 N ATOM 776 CA SER A 59 -37.208 1.235 15.836 1.00 2.22 C ATOM 777 C SER A 59 -38.242 0.163 15.502 1.00 13.14 C ATOM 778 O SER A 59 -39.442 0.364 15.685 1.00 21.42 O ATOM 779 CB SER A 59 -36.665 1.855 14.548 1.00 3.24 C ATOM 780 OG SER A 59 -37.652 1.865 13.531 1.00 0.24 O ATOM 0 H SER A 59 -35.197 0.761 16.197 1.00 52.22 H new ATOM 0 HA SER A 59 -37.694 2.011 16.428 1.00 2.22 H new ATOM 0 HB2 SER A 59 -36.330 2.874 14.744 1.00 3.24 H new ATOM 0 HB3 SER A 59 -35.795 1.293 14.209 1.00 3.24 H new ATOM 0 HG SER A 59 -37.280 2.268 12.718 1.00 0.24 H new ATOM 785 N ALA A 60 -37.765 -0.976 15.011 1.00 72.43 N ATOM 786 CA ALA A 60 -38.646 -2.081 14.652 1.00 30.22 C ATOM 787 C ALA A 60 -38.863 -3.016 15.836 1.00 4.20 C ATOM 788 O ALA A 60 -39.422 -4.102 15.687 1.00 32.33 O ATOM 789 CB ALA A 60 -38.075 -2.848 13.469 1.00 34.33 C ATOM 0 H ALA A 60 -36.774 -1.158 14.853 1.00 72.43 H new ATOM 0 HA ALA A 60 -39.613 -1.665 14.369 1.00 30.22 H new ATOM 0 HB1 ALA A 60 -38.743 -3.670 13.212 1.00 34.33 H new ATOM 0 HB2 ALA A 60 -37.977 -2.179 12.614 1.00 34.33 H new ATOM 0 HB3 ALA A 60 -37.095 -3.246 13.732 1.00 34.33 H new ATOM 795 N GLU A 61 -38.419 -2.587 17.014 1.00 15.23 N ATOM 796 CA GLU A 61 -38.563 -3.388 18.223 1.00 51.14 C ATOM 797 C GLU A 61 -40.009 -3.842 18.404 1.00 50.14 C ATOM 798 O GLU A 61 -40.271 -4.928 18.924 1.00 24.55 O ATOM 799 CB GLU A 61 -38.111 -2.590 19.447 1.00 44.14 C ATOM 800 CG GLU A 61 -38.382 -3.294 20.767 1.00 34.52 C ATOM 801 CD GLU A 61 -37.765 -2.573 21.950 1.00 71.23 C ATOM 802 OE1 GLU A 61 -36.521 -2.566 22.056 1.00 51.43 O ATOM 803 OE2 GLU A 61 -38.526 -2.017 22.769 1.00 64.11 O ATOM 0 H GLU A 61 -37.957 -1.689 17.156 1.00 15.23 H new ATOM 0 HA GLU A 61 -37.932 -4.271 18.121 1.00 51.14 H new ATOM 0 HB2 GLU A 61 -37.043 -2.389 19.365 1.00 44.14 H new ATOM 0 HB3 GLU A 61 -38.618 -1.625 19.449 1.00 44.14 H new ATOM 0 HG2 GLU A 61 -39.459 -3.375 20.917 1.00 34.52 H new ATOM 0 HG3 GLU A 61 -37.989 -4.310 20.720 1.00 34.52 H new ATOM 808 N LYS A 62 -40.945 -3.005 17.971 1.00 4.22 N ATOM 809 CA LYS A 62 -42.365 -3.319 18.084 1.00 23.13 C ATOM 810 C LYS A 62 -42.799 -4.280 16.983 1.00 12.04 C ATOM 811 O LYS A 62 -43.708 -5.087 17.172 1.00 21.05 O ATOM 812 CB LYS A 62 -43.198 -2.037 18.014 1.00 62.43 C ATOM 813 CG LYS A 62 -42.937 -1.077 19.162 1.00 54.25 C ATOM 814 CD LYS A 62 -43.277 0.354 18.781 1.00 41.11 C ATOM 815 CE LYS A 62 -44.781 0.582 18.756 1.00 50.32 C ATOM 816 NZ LYS A 62 -45.128 1.942 18.260 1.00 12.21 N ATOM 0 H LYS A 62 -40.746 -2.103 17.538 1.00 4.22 H new ATOM 0 HA LYS A 62 -42.530 -3.801 19.048 1.00 23.13 H new ATOM 0 HB2 LYS A 62 -42.989 -1.529 17.072 1.00 62.43 H new ATOM 0 HB3 LYS A 62 -44.255 -2.301 18.006 1.00 62.43 H new ATOM 0 HG2 LYS A 62 -43.529 -1.374 20.028 1.00 54.25 H new ATOM 0 HG3 LYS A 62 -41.889 -1.137 19.456 1.00 54.25 H new ATOM 0 HD2 LYS A 62 -42.816 1.040 19.491 1.00 41.11 H new ATOM 0 HD3 LYS A 62 -42.857 0.580 17.801 1.00 41.11 H new ATOM 0 HE2 LYS A 62 -45.251 -0.168 18.119 1.00 50.32 H new ATOM 0 HE3 LYS A 62 -45.185 0.447 19.759 1.00 50.32 H new ATOM 0 HZ1 LYS A 62 -46.162 2.058 18.258 1.00 12.21 H new ATOM 0 HZ2 LYS A 62 -44.701 2.658 18.882 1.00 12.21 H new ATOM 0 HZ3 LYS A 62 -44.765 2.062 17.293 1.00 12.21 H new ATOM 826 N GLY A 63 -42.140 -4.190 15.831 1.00 21.04 N ATOM 827 CA GLY A 63 -42.471 -5.060 14.717 1.00 45.20 C ATOM 828 C GLY A 63 -41.533 -6.246 14.608 1.00 3.31 C ATOM 829 O GLY A 63 -41.511 -6.939 13.591 1.00 43.24 O ATOM 0 H GLY A 63 -41.383 -3.530 15.650 1.00 21.04 H new ATOM 0 HA2 GLY A 63 -43.494 -5.419 14.832 1.00 45.20 H new ATOM 0 HA3 GLY A 63 -42.437 -4.487 13.790 1.00 45.20 H new ATOM 832 N LYS A 64 -40.755 -6.480 15.659 1.00 13.22 N ATOM 833 CA LYS A 64 -39.810 -7.590 15.679 1.00 12.35 C ATOM 834 C LYS A 64 -40.233 -8.648 16.692 1.00 63.41 C ATOM 835 O LYS A 64 -39.939 -9.832 16.527 1.00 61.30 O ATOM 836 CB LYS A 64 -38.403 -7.084 16.013 1.00 60.54 C ATOM 837 CG LYS A 64 -38.099 -7.070 17.500 1.00 41.45 C ATOM 838 CD LYS A 64 -36.710 -6.522 17.781 1.00 60.25 C ATOM 839 CE LYS A 64 -36.434 -6.442 19.275 1.00 61.31 C ATOM 840 NZ LYS A 64 -34.990 -6.633 19.582 1.00 55.33 N ATOM 0 H LYS A 64 -40.760 -5.915 16.509 1.00 13.22 H new ATOM 0 HA LYS A 64 -39.802 -8.044 14.688 1.00 12.35 H new ATOM 0 HB2 LYS A 64 -37.670 -7.713 15.507 1.00 60.54 H new ATOM 0 HB3 LYS A 64 -38.285 -6.075 15.617 1.00 60.54 H new ATOM 0 HG2 LYS A 64 -38.842 -6.464 18.018 1.00 41.45 H new ATOM 0 HG3 LYS A 64 -38.179 -8.082 17.898 1.00 41.45 H new ATOM 0 HD2 LYS A 64 -35.964 -7.158 17.306 1.00 60.25 H new ATOM 0 HD3 LYS A 64 -36.612 -5.531 17.338 1.00 60.25 H new ATOM 0 HE2 LYS A 64 -36.761 -5.474 19.654 1.00 61.31 H new ATOM 0 HE3 LYS A 64 -37.019 -7.201 19.794 1.00 61.31 H new ATOM 0 HZ1 LYS A 64 -34.842 -6.572 20.610 1.00 55.33 H new ATOM 0 HZ2 LYS A 64 -34.684 -7.567 19.243 1.00 55.33 H new ATOM 0 HZ3 LYS A 64 -34.433 -5.893 19.108 1.00 55.33 H new ATOM 850 N ASP A 65 -40.928 -8.215 17.738 1.00 24.33 N ATOM 851 CA ASP A 65 -41.396 -9.124 18.777 1.00 74.22 C ATOM 852 C ASP A 65 -42.915 -9.257 18.740 1.00 11.15 C ATOM 853 O ASP A 65 -43.523 -9.805 19.659 1.00 10.13 O ATOM 854 CB ASP A 65 -40.946 -8.635 20.154 1.00 45.43 C ATOM 855 CG ASP A 65 -39.749 -9.401 20.678 1.00 1.45 C ATOM 856 OD1 ASP A 65 -38.877 -9.771 19.863 1.00 63.45 O ATOM 857 OD2 ASP A 65 -39.681 -9.631 21.904 1.00 14.23 O ATOM 0 H ASP A 65 -41.180 -7.238 17.889 1.00 24.33 H new ATOM 0 HA ASP A 65 -40.960 -10.105 18.590 1.00 74.22 H new ATOM 0 HB2 ASP A 65 -40.698 -7.575 20.097 1.00 45.43 H new ATOM 0 HB3 ASP A 65 -41.772 -8.732 20.858 1.00 45.43 H new ATOM 861 N ASN A 66 -43.522 -8.749 17.672 1.00 21.23 N ATOM 862 CA ASN A 66 -44.971 -8.808 17.516 1.00 1.31 C ATOM 863 C ASN A 66 -45.516 -10.149 18.001 1.00 32.54 C ATOM 864 O ASN A 66 -46.585 -10.215 18.604 1.00 62.24 O ATOM 865 CB ASN A 66 -45.357 -8.586 16.053 1.00 40.44 C ATOM 866 CG ASN A 66 -44.961 -9.751 15.167 1.00 51.52 C ATOM 867 OD1 ASN A 66 -43.717 -10.197 15.299 1.00 41.42 O flip ATOM 868 ND2 ASN A 66 -45.763 -10.244 14.374 1.00 34.12 N flip ATOM 0 H ASN A 66 -43.033 -8.292 16.902 1.00 21.23 H new ATOM 0 HA ASN A 66 -45.410 -8.017 18.124 1.00 1.31 H new ATOM 0 HB2 ASN A 66 -46.434 -8.430 15.984 1.00 40.44 H new ATOM 0 HB3 ASN A 66 -44.879 -7.677 15.688 1.00 40.44 H new ATOM 0 HD21 ASN A 66 -46.709 -9.869 14.306 1.00 34.12 H new ATOM 0 HD22 ASN A 66 -45.481 -11.028 13.785 1.00 34.12 H new ATOM 874 N ALA A 67 -44.770 -11.216 17.729 1.00 65.13 N ATOM 875 CA ALA A 67 -45.177 -12.555 18.139 1.00 63.21 C ATOM 876 C ALA A 67 -44.790 -12.827 19.589 1.00 25.52 C ATOM 877 O ALA A 67 -45.609 -13.289 20.382 1.00 31.40 O ATOM 878 CB ALA A 67 -44.558 -13.598 17.221 1.00 15.20 C ATOM 0 H ALA A 67 -43.883 -11.179 17.228 1.00 65.13 H new ATOM 0 HA ALA A 67 -46.263 -12.618 18.063 1.00 63.21 H new ATOM 0 HB1 ALA A 67 -44.870 -14.593 17.538 1.00 15.20 H new ATOM 0 HB2 ALA A 67 -44.888 -13.423 16.197 1.00 15.20 H new ATOM 0 HB3 ALA A 67 -43.471 -13.526 17.269 1.00 15.20 H new ATOM 947 N LEU A 74 -47.672 -1.675 24.000 1.00 23.34 N ATOM 948 CA LEU A 74 -48.245 -0.353 23.765 1.00 53.13 C ATOM 949 C LEU A 74 -48.849 -0.263 22.367 1.00 42.43 C ATOM 950 O LEU A 74 -49.739 0.549 22.117 1.00 23.01 O ATOM 951 CB LEU A 74 -47.176 0.726 23.942 1.00 71.40 C ATOM 952 CG LEU A 74 -46.395 0.689 25.256 1.00 22.22 C ATOM 953 CD1 LEU A 74 -47.331 0.429 26.425 1.00 4.42 C ATOM 954 CD2 LEU A 74 -45.304 -0.371 25.198 1.00 33.14 C ATOM 0 HA LEU A 74 -49.039 -0.192 24.495 1.00 53.13 H new ATOM 0 HB2 LEU A 74 -46.466 0.644 23.119 1.00 71.40 H new ATOM 0 HB3 LEU A 74 -47.655 1.701 23.855 1.00 71.40 H new ATOM 0 HG LEU A 74 -45.923 1.660 25.404 1.00 22.22 H new ATOM 0 HD11 LEU A 74 -46.758 0.406 27.352 1.00 4.42 H new ATOM 0 HD12 LEU A 74 -48.076 1.223 26.478 1.00 4.42 H new ATOM 0 HD13 LEU A 74 -47.832 -0.529 26.284 1.00 4.42 H new ATOM 0 HD21 LEU A 74 -44.758 -0.383 26.141 1.00 33.14 H new ATOM 0 HD22 LEU A 74 -45.755 -1.348 25.027 1.00 33.14 H new ATOM 0 HD23 LEU A 74 -44.616 -0.141 24.384 1.00 33.14 H new ATOM 965 N ALA A 75 -48.361 -1.104 21.461 1.00 45.12 N ATOM 966 CA ALA A 75 -48.856 -1.122 20.091 1.00 3.10 C ATOM 967 C ALA A 75 -50.171 -1.887 19.992 1.00 61.13 C ATOM 968 O ALA A 75 -51.148 -1.393 19.428 1.00 20.14 O ATOM 969 CB ALA A 75 -47.817 -1.733 19.163 1.00 74.24 C ATOM 0 H ALA A 75 -47.623 -1.782 21.652 1.00 45.12 H new ATOM 0 HA ALA A 75 -49.041 -0.093 19.784 1.00 3.10 H new ATOM 0 HB1 ALA A 75 -48.200 -1.740 18.143 1.00 74.24 H new ATOM 0 HB2 ALA A 75 -46.902 -1.143 19.203 1.00 74.24 H new ATOM 0 HB3 ALA A 75 -47.604 -2.755 19.478 1.00 74.24 H new ATOM 975 N ASP A 76 -50.191 -3.095 20.543 1.00 50.41 N ATOM 976 CA ASP A 76 -51.387 -3.930 20.517 1.00 5.12 C ATOM 977 C ASP A 76 -52.628 -3.110 20.859 1.00 72.12 C ATOM 978 O ASP A 76 -53.679 -3.273 20.239 1.00 5.42 O ATOM 979 CB ASP A 76 -51.244 -5.094 21.499 1.00 0.00 C ATOM 980 CG ASP A 76 -52.544 -5.849 21.695 1.00 65.01 C ATOM 981 OD1 ASP A 76 -53.419 -5.342 22.429 1.00 21.02 O ATOM 982 OD2 ASP A 76 -52.687 -6.946 21.115 1.00 4.21 O ATOM 0 H ASP A 76 -49.392 -3.519 21.014 1.00 50.41 H new ATOM 0 HA ASP A 76 -51.501 -4.328 19.509 1.00 5.12 H new ATOM 0 HB2 ASP A 76 -50.480 -5.781 21.135 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -50.899 -4.714 22.461 1.00 0.00 H new ATOM 986 N GLN A 77 -52.497 -2.231 21.846 1.00 42.33 N ATOM 987 CA GLN A 77 -53.609 -1.388 22.271 1.00 33.52 C ATOM 988 C GLN A 77 -53.771 -0.192 21.338 1.00 20.52 C ATOM 989 O GLN A 77 -54.886 0.166 20.959 1.00 53.23 O ATOM 990 CB GLN A 77 -53.392 -0.905 23.705 1.00 43.42 C ATOM 991 CG GLN A 77 -52.598 -1.879 24.562 1.00 32.13 C ATOM 992 CD GLN A 77 -53.139 -3.293 24.492 1.00 50.22 C ATOM 993 OE1 GLN A 77 -54.324 -3.504 24.231 1.00 75.02 O ATOM 994 NE2 GLN A 77 -52.272 -4.271 24.726 1.00 61.21 N ATOM 0 H GLN A 77 -51.633 -2.083 22.367 1.00 42.33 H new ATOM 0 HA GLN A 77 -54.521 -1.984 22.231 1.00 33.52 H new ATOM 0 HB2 GLN A 77 -52.872 0.053 23.682 1.00 43.42 H new ATOM 0 HB3 GLN A 77 -54.362 -0.731 24.171 1.00 43.42 H new ATOM 0 HG2 GLN A 77 -51.557 -1.876 24.239 1.00 32.13 H new ATOM 0 HG3 GLN A 77 -52.611 -1.540 25.598 1.00 32.13 H new ATOM 0 HE21 GLN A 77 -51.299 -4.050 24.938 1.00 61.21 H new ATOM 0 HE22 GLN A 77 -52.579 -5.243 24.693 1.00 61.21 H new ATOM 1001 N ALA A 78 -52.651 0.424 20.973 1.00 14.14 N ATOM 1002 CA ALA A 78 -52.669 1.579 20.084 1.00 60.11 C ATOM 1003 C ALA A 78 -53.694 1.398 18.970 1.00 62.21 C ATOM 1004 O ALA A 78 -54.327 2.360 18.533 1.00 14.35 O ATOM 1005 CB ALA A 78 -51.285 1.814 19.497 1.00 74.43 C ATOM 0 H ALA A 78 -51.720 0.142 21.279 1.00 14.14 H new ATOM 0 HA ALA A 78 -52.957 2.453 20.669 1.00 60.11 H new ATOM 0 HB1 ALA A 78 -51.313 2.679 18.835 1.00 74.43 H new ATOM 0 HB2 ALA A 78 -50.574 1.996 20.303 1.00 74.43 H new ATOM 0 HB3 ALA A 78 -50.975 0.935 18.932 1.00 74.43 H new ATOM 1011 N ARG A 79 -53.855 0.160 18.514 1.00 11.34 N ATOM 1012 CA ARG A 79 -54.802 -0.146 17.450 1.00 62.43 C ATOM 1013 C ARG A 79 -56.236 -0.110 17.971 1.00 51.30 C ATOM 1014 O ARG A 79 -57.047 0.707 17.534 1.00 73.04 O ATOM 1015 CB ARG A 79 -54.501 -1.519 16.848 1.00 51.02 C ATOM 1016 CG ARG A 79 -53.075 -1.663 16.341 1.00 1.51 C ATOM 1017 CD ARG A 79 -52.814 -3.060 15.802 1.00 32.05 C ATOM 1018 NE ARG A 79 -53.362 -3.240 14.461 1.00 51.24 N ATOM 1019 CZ ARG A 79 -52.852 -2.670 13.376 1.00 71.31 C ATOM 1020 NH1 ARG A 79 -51.787 -1.886 13.473 1.00 74.14 N ATOM 1021 NH2 ARG A 79 -53.408 -2.882 12.189 1.00 55.14 N ATOM 0 H ARG A 79 -53.341 -0.648 18.866 1.00 11.34 H new ATOM 0 HA ARG A 79 -54.696 0.613 16.675 1.00 62.43 H new ATOM 0 HB2 ARG A 79 -54.689 -2.285 17.600 1.00 51.02 H new ATOM 0 HB3 ARG A 79 -55.191 -1.704 16.025 1.00 51.02 H new ATOM 0 HG2 ARG A 79 -52.891 -0.929 15.557 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -52.377 -1.448 17.150 1.00 1.51 H new ATOM 0 HD2 ARG A 79 -51.740 -3.246 15.783 1.00 32.05 H new ATOM 0 HD3 ARG A 79 -53.253 -3.796 16.475 1.00 32.05 H new ATOM 0 HE ARG A 79 -54.182 -3.837 14.352 1.00 51.24 H new ATOM 0 HH11 ARG A 79 -51.357 -1.720 14.383 1.00 74.14 H new ATOM 0 HH12 ARG A 79 -51.397 -1.449 12.638 1.00 74.14 H new ATOM 0 HH21 ARG A 79 -54.228 -3.483 12.110 1.00 55.14 H new ATOM 0 HH22 ARG A 79 -53.015 -2.443 11.356 1.00 55.14 H new ATOM 1032 N ASP A 80 -56.541 -1.002 18.908 1.00 31.14 N ATOM 1033 CA ASP A 80 -57.876 -1.073 19.490 1.00 41.22 C ATOM 1034 C ASP A 80 -58.110 0.085 20.455 1.00 63.03 C ATOM 1035 O ASP A 80 -59.097 0.813 20.338 1.00 0.35 O ATOM 1036 CB ASP A 80 -58.069 -2.405 20.217 1.00 70.11 C ATOM 1037 CG ASP A 80 -58.433 -3.533 19.271 1.00 1.35 C ATOM 1038 OD1 ASP A 80 -59.333 -3.334 18.428 1.00 31.43 O ATOM 1039 OD2 ASP A 80 -57.817 -4.615 19.373 1.00 65.13 O ATOM 0 H ASP A 80 -55.882 -1.685 19.280 1.00 31.14 H new ATOM 0 HA ASP A 80 -58.602 -1.001 18.681 1.00 41.22 H new ATOM 0 HB2 ASP A 80 -57.153 -2.662 20.748 1.00 70.11 H new ATOM 0 HB3 ASP A 80 -58.853 -2.296 20.967 1.00 70.11 H new ATOM 1043 N TYR A 81 -57.200 0.249 21.407 1.00 15.35 N ATOM 1044 CA TYR A 81 -57.309 1.316 22.395 1.00 63.21 C ATOM 1045 C TYR A 81 -57.753 2.620 21.740 1.00 64.34 C ATOM 1046 O TYR A 81 -58.844 3.123 22.011 1.00 53.03 O ATOM 1047 CB TYR A 81 -55.970 1.520 23.106 1.00 3.21 C ATOM 1048 CG TYR A 81 -56.104 2.130 24.483 1.00 10.43 C ATOM 1049 CD1 TYR A 81 -57.039 1.647 25.390 1.00 62.55 C ATOM 1050 CD2 TYR A 81 -55.295 3.188 24.878 1.00 15.24 C ATOM 1051 CE1 TYR A 81 -57.166 2.201 26.650 1.00 32.33 C ATOM 1052 CE2 TYR A 81 -55.412 3.747 26.136 1.00 52.03 C ATOM 1053 CZ TYR A 81 -56.349 3.250 27.018 1.00 21.33 C ATOM 1054 OH TYR A 81 -56.470 3.806 28.271 1.00 62.23 O ATOM 0 H TYR A 81 -56.377 -0.344 21.516 1.00 15.35 H new ATOM 0 HA TYR A 81 -58.061 1.023 23.128 1.00 63.21 H new ATOM 0 HB2 TYR A 81 -55.463 0.559 23.191 1.00 3.21 H new ATOM 0 HB3 TYR A 81 -55.337 2.162 22.493 1.00 3.21 H new ATOM 0 HD1 TYR A 81 -57.678 0.824 25.106 1.00 62.55 H new ATOM 0 HD2 TYR A 81 -54.561 3.581 24.189 1.00 15.24 H new ATOM 0 HE1 TYR A 81 -57.900 1.815 27.342 1.00 32.33 H new ATOM 0 HE2 TYR A 81 -54.774 4.568 26.427 1.00 52.03 H new ATOM 0 HH TYR A 81 -55.821 4.533 28.370 1.00 62.23 H new ATOM 1063 N MET A 82 -56.901 3.162 20.877 1.00 61.10 N ATOM 1064 CA MET A 82 -57.206 4.407 20.181 1.00 4.21 C ATOM 1065 C MET A 82 -58.626 4.385 19.625 1.00 35.40 C ATOM 1066 O MET A 82 -59.313 5.405 19.610 1.00 20.13 O ATOM 1067 CB MET A 82 -56.206 4.641 19.048 1.00 33.01 C ATOM 1068 CG MET A 82 -56.579 3.938 17.753 1.00 11.24 C ATOM 1069 SD MET A 82 -55.429 4.298 16.411 1.00 73.11 S ATOM 1070 CE MET A 82 -56.489 4.067 14.986 1.00 64.21 C ATOM 0 H MET A 82 -55.994 2.759 20.643 1.00 61.10 H new ATOM 0 HA MET A 82 -57.128 5.224 20.899 1.00 4.21 H new ATOM 0 HB2 MET A 82 -56.126 5.712 18.860 1.00 33.01 H new ATOM 0 HB3 MET A 82 -55.221 4.299 19.367 1.00 33.01 H new ATOM 0 HG2 MET A 82 -56.607 2.862 17.923 1.00 11.24 H new ATOM 0 HG3 MET A 82 -57.583 4.240 17.456 1.00 11.24 H new ATOM 0 HE1 MET A 82 -55.920 4.254 14.075 1.00 64.21 H new ATOM 0 HE2 MET A 82 -56.866 3.044 14.975 1.00 64.21 H new ATOM 0 HE3 MET A 82 -57.327 4.762 15.040 1.00 64.21 H new ATOM 1078 N GLY A 83 -59.060 3.215 19.167 1.00 33.30 N ATOM 1079 CA GLY A 83 -60.396 3.083 18.615 1.00 11.51 C ATOM 1080 C GLY A 83 -61.472 3.139 19.682 1.00 3.35 C ATOM 1081 O GLY A 83 -62.344 4.006 19.647 1.00 1.34 O ATOM 0 H GLY A 83 -58.510 2.356 19.168 1.00 33.30 H new ATOM 0 HA2 GLY A 83 -60.566 3.878 17.889 1.00 11.51 H new ATOM 0 HA3 GLY A 83 -60.472 2.138 18.076 1.00 11.51 H new ATOM 1084 N ALA A 84 -61.410 2.212 20.632 1.00 51.00 N ATOM 1085 CA ALA A 84 -62.386 2.161 21.714 1.00 73.45 C ATOM 1086 C ALA A 84 -62.466 3.496 22.446 1.00 73.11 C ATOM 1087 O ALA A 84 -63.448 3.782 23.129 1.00 30.35 O ATOM 1088 CB ALA A 84 -62.039 1.043 22.686 1.00 31.32 C ATOM 0 H ALA A 84 -60.695 1.486 20.675 1.00 51.00 H new ATOM 0 HA ALA A 84 -63.364 1.957 21.278 1.00 73.45 H new ATOM 0 HB1 ALA A 84 -62.776 1.017 23.489 1.00 31.32 H new ATOM 0 HB2 ALA A 84 -62.042 0.089 22.159 1.00 31.32 H new ATOM 0 HB3 ALA A 84 -61.050 1.221 23.108 1.00 31.32 H new ATOM 1094 N ALA A 85 -61.425 4.309 22.299 1.00 33.41 N ATOM 1095 CA ALA A 85 -61.378 5.614 22.945 1.00 12.33 C ATOM 1096 C ALA A 85 -61.938 6.700 22.032 1.00 52.35 C ATOM 1097 O ALA A 85 -63.053 7.182 22.235 1.00 74.02 O ATOM 1098 CB ALA A 85 -59.951 5.951 23.352 1.00 14.02 C ATOM 0 H ALA A 85 -60.603 4.086 21.738 1.00 33.41 H new ATOM 0 HA ALA A 85 -62.000 5.570 23.839 1.00 12.33 H new ATOM 0 HB1 ALA A 85 -59.931 6.929 23.833 1.00 14.02 H new ATOM 0 HB2 ALA A 85 -59.583 5.197 24.048 1.00 14.02 H new ATOM 0 HB3 ALA A 85 -59.315 5.969 22.467 1.00 14.02 H new ATOM 1104 N LYS A 86 -61.159 7.080 21.026 1.00 22.35 N ATOM 1105 CA LYS A 86 -61.578 8.109 20.080 1.00 11.52 C ATOM 1106 C LYS A 86 -63.017 7.882 19.630 1.00 43.41 C ATOM 1107 O LYS A 86 -63.746 8.832 19.346 1.00 33.54 O ATOM 1108 CB LYS A 86 -60.648 8.121 18.864 1.00 25.43 C ATOM 1109 CG LYS A 86 -60.853 9.321 17.955 1.00 74.14 C ATOM 1110 CD LYS A 86 -61.523 8.923 16.649 1.00 51.44 C ATOM 1111 CE LYS A 86 -61.218 9.917 15.541 1.00 32.30 C ATOM 1112 NZ LYS A 86 -62.019 9.645 14.315 1.00 43.23 N ATOM 0 H LYS A 86 -60.234 6.691 20.844 1.00 22.35 H new ATOM 0 HA LYS A 86 -61.522 9.074 20.583 1.00 11.52 H new ATOM 0 HB2 LYS A 86 -59.614 8.108 19.208 1.00 25.43 H new ATOM 0 HB3 LYS A 86 -60.804 7.209 18.288 1.00 25.43 H new ATOM 0 HG2 LYS A 86 -61.463 10.066 18.466 1.00 74.14 H new ATOM 0 HG3 LYS A 86 -59.891 9.788 17.744 1.00 74.14 H new ATOM 0 HD2 LYS A 86 -61.184 7.931 16.352 1.00 51.44 H new ATOM 0 HD3 LYS A 86 -62.601 8.860 16.796 1.00 51.44 H new ATOM 0 HE2 LYS A 86 -61.425 10.928 15.893 1.00 32.30 H new ATOM 0 HE3 LYS A 86 -60.156 9.875 15.298 1.00 32.30 H new ATOM 0 HZ1 LYS A 86 -61.782 10.345 13.583 1.00 43.23 H new ATOM 0 HZ2 LYS A 86 -61.803 8.690 13.964 1.00 43.23 H new ATOM 0 HZ3 LYS A 86 -63.032 9.710 14.541 1.00 43.23 H new ATOM 1122 N SER A 87 -63.421 6.617 19.572 1.00 52.55 N ATOM 1123 CA SER A 87 -64.773 6.265 19.155 1.00 63.23 C ATOM 1124 C SER A 87 -65.753 6.401 20.317 1.00 72.12 C ATOM 1125 O SER A 87 -66.631 7.263 20.306 1.00 64.11 O ATOM 1126 CB SER A 87 -64.806 4.835 18.611 1.00 70.21 C ATOM 1127 OG SER A 87 -65.756 4.709 17.567 1.00 30.53 O ATOM 0 H SER A 87 -62.831 5.819 19.809 1.00 52.55 H new ATOM 0 HA SER A 87 -65.074 6.954 18.366 1.00 63.23 H new ATOM 0 HB2 SER A 87 -63.818 4.560 18.243 1.00 70.21 H new ATOM 0 HB3 SER A 87 -65.051 4.142 19.416 1.00 70.21 H new ATOM 0 HG SER A 87 -65.757 3.787 17.235 1.00 30.53 H new ATOM 1132 N LYS A 88 -65.595 5.543 21.320 1.00 34.23 N ATOM 1133 CA LYS A 88 -66.463 5.566 22.490 1.00 4.45 C ATOM 1134 C LYS A 88 -66.288 6.864 23.272 1.00 31.43 C ATOM 1135 O LYS A 88 -67.236 7.633 23.439 1.00 11.14 O ATOM 1136 CB LYS A 88 -66.164 4.370 23.396 1.00 12.33 C ATOM 1137 CG LYS A 88 -67.400 3.774 24.046 1.00 43.22 C ATOM 1138 CD LYS A 88 -67.526 4.200 25.499 1.00 44.31 C ATOM 1139 CE LYS A 88 -66.461 3.546 26.367 1.00 70.31 C ATOM 1140 NZ LYS A 88 -66.717 3.764 27.818 1.00 14.13 N ATOM 0 H LYS A 88 -64.873 4.823 21.345 1.00 34.23 H new ATOM 0 HA LYS A 88 -67.496 5.505 22.146 1.00 4.45 H new ATOM 0 HB2 LYS A 88 -65.664 3.598 22.811 1.00 12.33 H new ATOM 0 HB3 LYS A 88 -65.468 4.681 24.175 1.00 12.33 H new ATOM 0 HG2 LYS A 88 -68.288 4.086 23.496 1.00 43.22 H new ATOM 0 HG3 LYS A 88 -67.355 2.687 23.987 1.00 43.22 H new ATOM 0 HD2 LYS A 88 -67.439 5.284 25.570 1.00 44.31 H new ATOM 0 HD3 LYS A 88 -68.515 3.934 25.873 1.00 44.31 H new ATOM 0 HE2 LYS A 88 -66.431 2.476 26.160 1.00 70.31 H new ATOM 0 HE3 LYS A 88 -65.482 3.949 26.106 1.00 70.31 H new ATOM 0 HZ1 LYS A 88 -65.970 3.303 28.375 1.00 14.13 H new ATOM 0 HZ2 LYS A 88 -66.721 4.784 28.020 1.00 14.13 H new ATOM 0 HZ3 LYS A 88 -67.640 3.357 28.073 1.00 14.13 H new ATOM 1150 N LEU A 89 -65.071 7.104 23.748 1.00 33.22 N ATOM 1151 CA LEU A 89 -64.771 8.311 24.510 1.00 11.41 C ATOM 1152 C LEU A 89 -65.383 9.540 23.847 1.00 33.54 C ATOM 1153 O LEU A 89 -66.093 10.315 24.487 1.00 54.54 O ATOM 1154 CB LEU A 89 -63.258 8.490 24.645 1.00 13.24 C ATOM 1155 CG LEU A 89 -62.793 9.547 25.647 1.00 64.42 C ATOM 1156 CD1 LEU A 89 -61.487 9.127 26.301 1.00 54.20 C ATOM 1157 CD2 LEU A 89 -62.640 10.899 24.964 1.00 4.40 C ATOM 0 H LEU A 89 -64.276 6.478 23.620 1.00 33.22 H new ATOM 0 HA LEU A 89 -65.208 8.202 25.503 1.00 11.41 H new ATOM 0 HB2 LEU A 89 -62.823 7.532 24.930 1.00 13.24 H new ATOM 0 HB3 LEU A 89 -62.854 8.745 23.665 1.00 13.24 H new ATOM 0 HG LEU A 89 -63.551 9.639 26.425 1.00 64.42 H new ATOM 0 HD11 LEU A 89 -61.173 9.892 27.011 1.00 54.20 H new ATOM 0 HD12 LEU A 89 -61.630 8.182 26.826 1.00 54.20 H new ATOM 0 HD13 LEU A 89 -60.720 9.005 25.536 1.00 54.20 H new ATOM 0 HD21 LEU A 89 -62.308 11.639 25.692 1.00 4.40 H new ATOM 0 HD22 LEU A 89 -61.903 10.821 24.164 1.00 4.40 H new ATOM 0 HD23 LEU A 89 -63.599 11.206 24.546 1.00 4.40 H new ATOM 1168 N ASN A 90 -65.105 9.712 22.559 1.00 35.53 N ATOM 1169 CA ASN A 90 -65.629 10.847 21.807 1.00 55.22 C ATOM 1170 C ASN A 90 -67.129 10.696 21.572 1.00 62.02 C ATOM 1171 O ASN A 90 -67.924 11.519 22.027 1.00 22.44 O ATOM 1172 CB ASN A 90 -64.903 10.977 20.467 1.00 35.11 C ATOM 1173 CG ASN A 90 -64.811 12.416 19.997 1.00 63.24 C ATOM 1174 OD1 ASN A 90 -65.540 12.834 19.096 1.00 12.53 O ATOM 1175 ND2 ASN A 90 -63.915 13.182 20.607 1.00 34.53 N ATOM 0 H ASN A 90 -64.519 9.080 22.014 1.00 35.53 H new ATOM 0 HA ASN A 90 -65.459 11.750 22.394 1.00 55.22 H new ATOM 0 HB2 ASN A 90 -63.899 10.563 20.559 1.00 35.11 H new ATOM 0 HB3 ASN A 90 -65.425 10.385 19.715 1.00 35.11 H new ATOM 0 HD21 ASN A 90 -63.809 14.159 20.334 1.00 34.53 H new ATOM 0 HD22 ASN A 90 -63.332 12.793 21.348 1.00 34.53 H new ATOM 1181 N ASP A 91 -67.508 9.641 20.861 1.00 51.34 N ATOM 1182 CA ASP A 91 -68.913 9.382 20.567 1.00 52.23 C ATOM 1183 C ASP A 91 -69.734 9.314 21.852 1.00 10.13 C ATOM 1184 O ASP A 91 -70.959 9.430 21.824 1.00 34.14 O ATOM 1185 CB ASP A 91 -69.060 8.075 19.785 1.00 1.51 C ATOM 1186 CG ASP A 91 -70.425 7.937 19.140 1.00 32.43 C ATOM 1187 OD1 ASP A 91 -71.346 7.422 19.806 1.00 1.11 O ATOM 1188 OD2 ASP A 91 -70.570 8.344 17.968 1.00 75.54 O ATOM 0 H ASP A 91 -66.863 8.951 20.477 1.00 51.34 H new ATOM 0 HA ASP A 91 -69.289 10.205 19.959 1.00 52.23 H new ATOM 0 HB2 ASP A 91 -68.291 8.028 19.014 1.00 1.51 H new ATOM 0 HB3 ASP A 91 -68.891 7.233 20.456 1.00 1.51 H new ATOM 1192 N ALA A 92 -69.050 9.126 22.976 1.00 20.50 N ATOM 1193 CA ALA A 92 -69.715 9.046 24.270 1.00 13.50 C ATOM 1194 C ALA A 92 -69.634 10.375 25.014 1.00 72.33 C ATOM 1195 O ALA A 92 -70.534 10.727 25.776 1.00 34.43 O ATOM 1196 CB ALA A 92 -69.105 7.932 25.108 1.00 11.52 C ATOM 0 H ALA A 92 -68.036 9.026 23.016 1.00 20.50 H new ATOM 0 HA ALA A 92 -70.767 8.822 24.096 1.00 13.50 H new ATOM 0 HB1 ALA A 92 -69.611 7.883 26.072 1.00 11.52 H new ATOM 0 HB2 ALA A 92 -69.221 6.981 24.589 1.00 11.52 H new ATOM 0 HB3 ALA A 92 -68.045 8.133 25.264 1.00 11.52 H new ATOM 1202 N VAL A 93 -68.549 11.108 24.787 1.00 5.15 N ATOM 1203 CA VAL A 93 -68.351 12.399 25.435 1.00 15.55 C ATOM 1204 C VAL A 93 -68.550 13.546 24.451 1.00 73.44 C ATOM 1205 O VAL A 93 -69.232 14.525 24.754 1.00 33.23 O ATOM 1206 CB VAL A 93 -66.943 12.507 26.052 1.00 24.31 C ATOM 1207 CG1 VAL A 93 -65.967 13.112 25.054 1.00 54.12 C ATOM 1208 CG2 VAL A 93 -66.984 13.327 27.333 1.00 50.32 C ATOM 0 H VAL A 93 -67.794 10.830 24.160 1.00 5.15 H new ATOM 0 HA VAL A 93 -69.095 12.471 26.228 1.00 15.55 H new ATOM 0 HB VAL A 93 -66.597 11.504 26.300 1.00 24.31 H new ATOM 0 HG11 VAL A 93 -64.978 13.180 25.508 1.00 54.12 H new ATOM 0 HG12 VAL A 93 -65.916 12.481 24.167 1.00 54.12 H new ATOM 0 HG13 VAL A 93 -66.306 14.109 24.772 1.00 54.12 H new ATOM 0 HG21 VAL A 93 -65.981 13.393 27.755 1.00 50.32 H new ATOM 0 HG22 VAL A 93 -67.351 14.329 27.112 1.00 50.32 H new ATOM 0 HG23 VAL A 93 -67.649 12.847 28.051 1.00 50.32 H new ATOM 1218 N GLU A 94 -67.953 13.416 23.269 1.00 42.44 N ATOM 1219 CA GLU A 94 -68.067 14.442 22.240 1.00 74.23 C ATOM 1220 C GLU A 94 -69.468 14.452 21.634 1.00 14.40 C ATOM 1221 O GLU A 94 -70.019 15.512 21.336 1.00 51.31 O ATOM 1222 CB GLU A 94 -67.026 14.211 21.143 1.00 75.22 C ATOM 1223 CG GLU A 94 -66.516 15.493 20.507 1.00 24.40 C ATOM 1224 CD GLU A 94 -65.209 15.966 21.112 1.00 55.53 C ATOM 1225 OE1 GLU A 94 -65.106 15.989 22.357 1.00 31.12 O ATOM 1226 OE2 GLU A 94 -64.288 16.309 20.342 1.00 73.21 O ATOM 0 H GLU A 94 -67.387 12.611 23.002 1.00 42.44 H new ATOM 0 HA GLU A 94 -67.885 15.411 22.706 1.00 74.23 H new ATOM 0 HB2 GLU A 94 -66.182 13.664 21.564 1.00 75.22 H new ATOM 0 HB3 GLU A 94 -67.461 13.579 20.368 1.00 75.22 H new ATOM 0 HG2 GLU A 94 -66.380 15.334 19.437 1.00 24.40 H new ATOM 0 HG3 GLU A 94 -67.268 16.274 20.620 1.00 24.40 H new ATOM 1231 N TYR A 95 -70.036 13.265 21.454 1.00 45.13 N ATOM 1232 CA TYR A 95 -71.371 13.136 20.882 1.00 24.35 C ATOM 1233 C TYR A 95 -72.443 13.335 21.949 1.00 23.02 C ATOM 1234 O TYR A 95 -73.447 14.010 21.720 1.00 31.54 O ATOM 1235 CB TYR A 95 -71.536 11.765 20.225 1.00 61.44 C ATOM 1236 CG TYR A 95 -72.980 11.372 19.999 1.00 22.54 C ATOM 1237 CD1 TYR A 95 -73.675 11.824 18.884 1.00 40.03 C ATOM 1238 CD2 TYR A 95 -73.647 10.552 20.900 1.00 75.22 C ATOM 1239 CE1 TYR A 95 -74.994 11.469 18.673 1.00 22.02 C ATOM 1240 CE2 TYR A 95 -74.965 10.190 20.696 1.00 34.44 C ATOM 1241 CZ TYR A 95 -75.633 10.652 19.581 1.00 60.24 C ATOM 1242 OH TYR A 95 -76.946 10.295 19.376 1.00 62.31 O ATOM 0 H TYR A 95 -69.593 12.379 21.696 1.00 45.13 H new ATOM 0 HA TYR A 95 -71.491 13.911 20.125 1.00 24.35 H new ATOM 0 HB2 TYR A 95 -71.014 11.765 19.268 1.00 61.44 H new ATOM 0 HB3 TYR A 95 -71.057 11.012 20.850 1.00 61.44 H new ATOM 0 HD1 TYR A 95 -73.176 12.463 18.170 1.00 40.03 H new ATOM 0 HD2 TYR A 95 -73.127 10.191 21.775 1.00 75.22 H new ATOM 0 HE1 TYR A 95 -75.521 11.830 17.802 1.00 22.02 H new ATOM 0 HE2 TYR A 95 -75.469 9.550 21.405 1.00 34.44 H new ATOM 0 HH TYR A 95 -77.245 9.716 20.107 1.00 62.31 H new ATOM 1251 N VAL A 96 -72.223 12.741 23.117 1.00 44.10 N ATOM 1252 CA VAL A 96 -73.168 12.853 24.222 1.00 4.22 C ATOM 1253 C VAL A 96 -72.915 14.117 25.036 1.00 11.00 C ATOM 1254 O VAL A 96 -73.744 15.027 25.063 1.00 35.01 O ATOM 1255 CB VAL A 96 -73.088 11.630 25.155 1.00 22.11 C ATOM 1256 CG1 VAL A 96 -74.324 11.551 26.039 1.00 50.22 C ATOM 1257 CG2 VAL A 96 -72.920 10.353 24.345 1.00 14.43 C ATOM 0 H VAL A 96 -71.398 12.177 23.323 1.00 44.10 H new ATOM 0 HA VAL A 96 -74.164 12.901 23.783 1.00 4.22 H new ATOM 0 HB VAL A 96 -72.216 11.742 25.799 1.00 22.11 H new ATOM 0 HG11 VAL A 96 -74.250 10.681 26.691 1.00 50.22 H new ATOM 0 HG12 VAL A 96 -74.396 12.454 26.645 1.00 50.22 H new ATOM 0 HG13 VAL A 96 -75.213 11.462 25.414 1.00 50.22 H new ATOM 0 HG21 VAL A 96 -72.865 9.499 25.020 1.00 14.43 H new ATOM 0 HG22 VAL A 96 -73.771 10.232 23.675 1.00 14.43 H new ATOM 0 HG23 VAL A 96 -72.003 10.412 23.759 1.00 14.43 H new ATOM 1267 N SER A 97 -71.764 14.167 25.699 1.00 51.32 N ATOM 1268 CA SER A 97 -71.402 15.317 26.518 1.00 31.42 C ATOM 1269 C SER A 97 -71.308 16.581 25.667 1.00 43.31 C ATOM 1270 O SER A 97 -71.360 17.696 26.184 1.00 4.34 O ATOM 1271 CB SER A 97 -70.070 15.067 27.227 1.00 3.23 C ATOM 1272 OG SER A 97 -70.135 15.459 28.588 1.00 52.15 O ATOM 0 H SER A 97 -71.066 13.423 25.685 1.00 51.32 H new ATOM 0 HA SER A 97 -72.182 15.459 27.266 1.00 31.42 H new ATOM 0 HB2 SER A 97 -69.812 14.010 27.162 1.00 3.23 H new ATOM 0 HB3 SER A 97 -69.277 15.620 26.723 1.00 3.23 H new ATOM 0 HG SER A 97 -69.272 15.287 29.019 1.00 52.15 H new ATOM 1277 N GLY A 98 -71.171 16.397 24.358 1.00 52.14 N ATOM 1278 CA GLY A 98 -71.072 17.529 23.456 1.00 32.32 C ATOM 1279 C GLY A 98 -72.427 18.002 22.969 1.00 3.21 C ATOM 1280 O GLY A 98 -72.567 19.135 22.508 1.00 63.51 O ATOM 0 H GLY A 98 -71.127 15.484 23.906 1.00 52.14 H new ATOM 0 HA2 GLY A 98 -70.564 18.350 23.962 1.00 32.32 H new ATOM 0 HA3 GLY A 98 -70.457 17.254 22.599 1.00 32.32 H new ATOM 1283 N ARG A 99 -73.427 17.133 23.071 1.00 22.13 N ATOM 1284 CA ARG A 99 -74.778 17.469 22.635 1.00 75.31 C ATOM 1285 C ARG A 99 -75.551 18.169 23.748 1.00 11.51 C ATOM 1286 O ARG A 99 -76.195 19.194 23.522 1.00 55.23 O ATOM 1287 CB ARG A 99 -75.524 16.207 22.198 1.00 13.21 C ATOM 1288 CG ARG A 99 -75.532 15.994 20.693 1.00 13.21 C ATOM 1289 CD ARG A 99 -76.945 16.020 20.134 1.00 63.22 C ATOM 1290 NE ARG A 99 -77.380 17.376 19.807 1.00 53.25 N ATOM 1291 CZ ARG A 99 -78.498 17.649 19.144 1.00 11.31 C ATOM 1292 NH1 ARG A 99 -79.290 16.666 18.739 1.00 42.44 N ATOM 1293 NH2 ARG A 99 -78.826 18.908 18.885 1.00 22.12 N ATOM 0 H ARG A 99 -73.328 16.192 23.451 1.00 22.13 H new ATOM 0 HA ARG A 99 -74.700 18.150 21.787 1.00 75.31 H new ATOM 0 HB2 ARG A 99 -75.067 15.341 22.676 1.00 13.21 H new ATOM 0 HB3 ARG A 99 -76.553 16.262 22.554 1.00 13.21 H new ATOM 0 HG2 ARG A 99 -74.935 16.769 20.212 1.00 13.21 H new ATOM 0 HG3 ARG A 99 -75.064 15.038 20.457 1.00 13.21 H new ATOM 0 HD2 ARG A 99 -76.992 15.399 19.240 1.00 63.22 H new ATOM 0 HD3 ARG A 99 -77.631 15.585 20.861 1.00 63.22 H new ATOM 0 HE ARG A 99 -76.793 18.155 20.104 1.00 53.25 H new ATOM 0 HH11 ARG A 99 -79.041 15.697 18.936 1.00 42.44 H new ATOM 0 HH12 ARG A 99 -80.148 16.879 18.230 1.00 42.44 H new ATOM 0 HH21 ARG A 99 -78.219 19.667 19.195 1.00 22.12 H new ATOM 0 HH22 ARG A 99 -79.685 19.117 18.376 1.00 22.12 H new ATOM 1304 N VAL A 100 -75.482 17.609 24.952 1.00 71.33 N ATOM 1305 CA VAL A 100 -76.174 18.180 26.102 1.00 32.34 C ATOM 1306 C VAL A 100 -75.539 19.499 26.526 1.00 1.12 C ATOM 1307 O VAL A 100 -76.188 20.341 27.147 1.00 61.41 O ATOM 1308 CB VAL A 100 -76.168 17.211 27.298 1.00 53.33 C ATOM 1309 CG1 VAL A 100 -76.880 17.830 28.491 1.00 12.22 C ATOM 1310 CG2 VAL A 100 -76.809 15.886 26.914 1.00 73.43 C ATOM 0 H VAL A 100 -74.954 16.761 25.156 1.00 71.33 H new ATOM 0 HA VAL A 100 -77.204 18.359 25.795 1.00 32.34 H new ATOM 0 HB VAL A 100 -75.133 17.019 27.582 1.00 53.33 H new ATOM 0 HG11 VAL A 100 -76.866 17.130 29.327 1.00 12.22 H new ATOM 0 HG12 VAL A 100 -76.373 18.751 28.780 1.00 12.22 H new ATOM 0 HG13 VAL A 100 -77.913 18.053 28.223 1.00 12.22 H new ATOM 0 HG21 VAL A 100 -76.796 15.213 27.772 1.00 73.43 H new ATOM 0 HG22 VAL A 100 -77.839 16.057 26.603 1.00 73.43 H new ATOM 0 HG23 VAL A 100 -76.251 15.437 26.092 1.00 73.43 H new ATOM 1320 N HIS A 101 -74.265 19.672 26.187 1.00 25.32 N ATOM 1321 CA HIS A 101 -73.541 20.890 26.532 1.00 43.42 C ATOM 1322 C HIS A 101 -74.302 22.127 26.063 1.00 44.24 C ATOM 1323 O HIS A 101 -74.269 23.172 26.712 1.00 72.32 O ATOM 1324 CB HIS A 101 -72.144 20.872 25.913 1.00 35.23 C ATOM 1325 CG HIS A 101 -71.400 22.162 26.073 1.00 70.35 C ATOM 1326 ND1 HIS A 101 -70.665 22.473 27.197 1.00 71.34 N ATOM 1327 CD2 HIS A 101 -71.280 23.223 25.241 1.00 1.24 C ATOM 1328 CE1 HIS A 101 -70.126 23.670 27.051 1.00 40.44 C ATOM 1329 NE2 HIS A 101 -70.483 24.146 25.872 1.00 24.33 N ATOM 0 H HIS A 101 -73.713 18.984 25.674 1.00 25.32 H new ATOM 0 HA HIS A 101 -73.449 20.932 27.617 1.00 43.42 H new ATOM 0 HB2 HIS A 101 -71.564 20.069 26.369 1.00 35.23 H new ATOM 0 HB3 HIS A 101 -72.229 20.641 24.851 1.00 35.23 H new ATOM 0 HD2 HIS A 101 -71.728 23.325 24.263 1.00 1.24 H new ATOM 0 HE1 HIS A 101 -69.500 24.174 27.773 1.00 40.44 H new ATOM 0 HE2 HIS A 101 -70.211 25.052 25.492 1.00 24.33 H new