USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=14 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= -0.096 K(o=-0.096,f=-0.66) USER MOD Single : A 30 LYS NZ :NH3+ -120:sc=-0.00865 (180deg=-0.158) 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= -0.0927 X(o=-0.093,f=-0.093) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.11) USER MOD Single : A 54 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.8!) USER MOD Single : A 57 HIS : no HD1:sc= -0.795 X(o=-0.79,f=-0.49) 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+ -116:sc= -0.336 (180deg=-0.58) USER MOD Single : A 66 ASN :FLIP amide:sc= -1.04 F(o=-2.3,f=-1) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.026) 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+ 156:sc= -0.145 (180deg=-0.747) 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= -0.0111 K(o=-0.011,f=-0.58) 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= -0.436 X(o=-0.44,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.912 32.223 17.276 1.00 63.04 N ATOM 281 CA LYS A 23 -7.050 31.403 16.876 1.00 10.51 C ATOM 282 C LYS A 23 -6.932 30.982 15.416 1.00 65.23 C ATOM 283 O LYS A 23 -6.697 29.812 15.113 1.00 35.20 O ATOM 284 CB LYS A 23 -8.357 32.168 17.093 1.00 53.50 C ATOM 285 CG LYS A 23 -8.219 33.671 16.919 1.00 34.41 C ATOM 286 CD LYS A 23 -9.449 34.273 16.262 1.00 40.34 C ATOM 287 CE LYS A 23 -10.694 34.058 17.109 1.00 41.34 C ATOM 288 NZ LYS A 23 -11.929 34.493 16.399 1.00 1.33 N ATOM 0 HA LYS A 23 -7.054 30.506 17.495 1.00 10.51 H new ATOM 0 HB2 LYS A 23 -9.106 31.797 16.393 1.00 53.50 H new ATOM 0 HB3 LYS A 23 -8.728 31.960 18.097 1.00 53.50 H new ATOM 0 HG2 LYS A 23 -8.060 34.137 17.891 1.00 34.41 H new ATOM 0 HG3 LYS A 23 -7.339 33.889 16.314 1.00 34.41 H new ATOM 0 HD2 LYS A 23 -9.294 35.340 16.106 1.00 40.34 H new ATOM 0 HD3 LYS A 23 -9.594 33.825 15.279 1.00 40.34 H new ATOM 0 HE2 LYS A 23 -10.778 33.003 17.371 1.00 41.34 H new ATOM 0 HE3 LYS A 23 -10.598 34.611 18.043 1.00 41.34 H new ATOM 0 HZ1 LYS A 23 -12.756 34.330 17.009 1.00 1.33 H new ATOM 0 HZ2 LYS A 23 -11.860 35.506 16.172 1.00 1.33 H new ATOM 0 HZ3 LYS A 23 -12.035 33.947 15.520 1.00 1.33 H new ATOM 298 N SER A 24 -7.094 31.944 14.512 1.00 54.24 N ATOM 299 CA SER A 24 -7.008 31.673 13.082 1.00 64.35 C ATOM 300 C SER A 24 -5.920 30.643 12.790 1.00 4.32 C ATOM 301 O SER A 24 -6.016 29.878 11.830 1.00 61.02 O ATOM 302 CB SER A 24 -6.724 32.963 12.312 1.00 14.44 C ATOM 303 OG SER A 24 -7.732 33.214 11.348 1.00 23.31 O ATOM 0 H SER A 24 -7.286 32.918 14.745 1.00 54.24 H new ATOM 0 HA SER A 24 -7.966 31.268 12.756 1.00 64.35 H new ATOM 0 HB2 SER A 24 -6.665 33.800 13.008 1.00 14.44 H new ATOM 0 HB3 SER A 24 -5.755 32.890 11.819 1.00 14.44 H new ATOM 0 HG SER A 24 -7.528 34.045 10.870 1.00 23.31 H new ATOM 308 N TYR A 25 -4.886 30.633 13.623 1.00 74.44 N ATOM 309 CA TYR A 25 -3.778 29.700 13.454 1.00 21.44 C ATOM 310 C TYR A 25 -4.063 28.380 14.164 1.00 33.21 C ATOM 311 O TYR A 25 -3.908 27.304 13.586 1.00 12.14 O ATOM 312 CB TYR A 25 -2.483 30.311 13.991 1.00 11.24 C ATOM 313 CG TYR A 25 -2.126 31.634 13.350 1.00 75.24 C ATOM 314 CD1 TYR A 25 -2.926 32.755 13.535 1.00 13.33 C ATOM 315 CD2 TYR A 25 -0.992 31.762 12.558 1.00 12.24 C ATOM 316 CE1 TYR A 25 -2.605 33.965 12.951 1.00 35.44 C ATOM 317 CE2 TYR A 25 -0.662 32.969 11.972 1.00 70.14 C ATOM 318 CZ TYR A 25 -1.473 34.067 12.171 1.00 30.44 C ATOM 319 OH TYR A 25 -1.148 35.270 11.587 1.00 15.34 O ATOM 0 H TYR A 25 -4.792 31.260 14.422 1.00 74.44 H new ATOM 0 HA TYR A 25 -3.664 29.501 12.388 1.00 21.44 H new ATOM 0 HB2 TYR A 25 -2.577 30.452 15.068 1.00 11.24 H new ATOM 0 HB3 TYR A 25 -1.666 29.607 13.832 1.00 11.24 H new ATOM 0 HD1 TYR A 25 -3.814 32.679 14.146 1.00 13.33 H new ATOM 0 HD2 TYR A 25 -0.357 30.903 12.397 1.00 12.24 H new ATOM 0 HE1 TYR A 25 -3.238 34.827 13.105 1.00 35.44 H new ATOM 0 HE2 TYR A 25 0.225 33.052 11.362 1.00 70.14 H new ATOM 0 HH TYR A 25 -0.320 35.170 11.072 1.00 15.34 H new ATOM 328 N ALA A 26 -4.481 28.471 15.422 1.00 52.54 N ATOM 329 CA ALA A 26 -4.791 27.286 16.212 1.00 61.32 C ATOM 330 C ALA A 26 -6.107 26.657 15.766 1.00 15.33 C ATOM 331 O ALA A 26 -6.181 25.453 15.531 1.00 54.15 O ATOM 332 CB ALA A 26 -4.845 27.637 17.691 1.00 54.41 C ATOM 0 H ALA A 26 -4.613 29.354 15.916 1.00 52.54 H new ATOM 0 HA ALA A 26 -3.998 26.556 16.052 1.00 61.32 H new ATOM 0 HB1 ALA A 26 -5.077 26.743 18.269 1.00 54.41 H new ATOM 0 HB2 ALA A 26 -3.879 28.032 18.007 1.00 54.41 H new ATOM 0 HB3 ALA A 26 -5.617 28.388 17.859 1.00 54.41 H new ATOM 338 N GLU A 27 -7.143 27.483 15.653 1.00 73.22 N ATOM 339 CA GLU A 27 -8.457 27.006 15.237 1.00 43.32 C ATOM 340 C GLU A 27 -8.372 26.273 13.901 1.00 21.04 C ATOM 341 O GLU A 27 -8.765 25.112 13.793 1.00 22.14 O ATOM 342 CB GLU A 27 -9.438 28.176 15.127 1.00 34.44 C ATOM 343 CG GLU A 27 -10.870 27.746 14.861 1.00 62.21 C ATOM 344 CD GLU A 27 -11.781 27.984 16.050 1.00 4.42 C ATOM 345 OE1 GLU A 27 -11.481 27.463 17.142 1.00 73.35 O ATOM 346 OE2 GLU A 27 -12.796 28.696 15.885 1.00 74.44 O ATOM 0 H GLU A 27 -7.098 28.484 15.843 1.00 73.22 H new ATOM 0 HA GLU A 27 -8.818 26.308 15.993 1.00 43.32 H new ATOM 0 HB2 GLU A 27 -9.407 28.754 16.051 1.00 34.44 H new ATOM 0 HB3 GLU A 27 -9.112 28.839 14.325 1.00 34.44 H new ATOM 0 HG2 GLU A 27 -11.255 28.290 13.999 1.00 62.21 H new ATOM 0 HG3 GLU A 27 -10.885 26.687 14.602 1.00 62.21 H new ATOM 351 N GLN A 28 -7.855 26.961 12.887 1.00 12.30 N ATOM 352 CA GLN A 28 -7.720 26.377 11.559 1.00 41.42 C ATOM 353 C GLN A 28 -7.138 24.970 11.640 1.00 72.33 C ATOM 354 O GLN A 28 -7.507 24.089 10.864 1.00 73.43 O ATOM 355 CB GLN A 28 -6.832 27.258 10.678 1.00 14.22 C ATOM 356 CG GLN A 28 -5.370 27.255 11.093 1.00 73.02 C ATOM 357 CD GLN A 28 -4.481 27.981 10.103 1.00 42.44 C ATOM 358 OE1 GLN A 28 -4.932 28.873 9.384 1.00 13.34 O ATOM 359 NE2 GLN A 28 -3.210 27.601 10.058 1.00 31.23 N ATOM 0 H GLN A 28 -7.523 27.923 12.961 1.00 12.30 H new ATOM 0 HA GLN A 28 -8.713 26.315 11.115 1.00 41.42 H new ATOM 0 HB2 GLN A 28 -6.909 26.919 9.645 1.00 14.22 H new ATOM 0 HB3 GLN A 28 -7.207 28.281 10.706 1.00 14.22 H new ATOM 0 HG2 GLN A 28 -5.273 27.722 12.073 1.00 73.02 H new ATOM 0 HG3 GLN A 28 -5.028 26.225 11.196 1.00 73.02 H new ATOM 0 HE21 GLN A 28 -2.878 26.857 10.672 1.00 31.23 H new ATOM 0 HE22 GLN A 28 -2.565 28.053 9.409 1.00 31.23 H new ATOM 366 N GLY A 29 -6.225 24.765 12.585 1.00 50.13 N ATOM 367 CA GLY A 29 -5.606 23.463 12.750 1.00 72.24 C ATOM 368 C GLY A 29 -6.477 22.503 13.535 1.00 74.15 C ATOM 369 O GLY A 29 -6.477 21.298 13.277 1.00 22.14 O ATOM 0 H GLY A 29 -5.903 25.478 13.239 1.00 50.13 H new ATOM 0 HA2 GLY A 29 -5.394 23.038 11.769 1.00 72.24 H new ATOM 0 HA3 GLY A 29 -4.650 23.581 13.259 1.00 72.24 H new ATOM 372 N LYS A 30 -7.222 23.035 14.499 1.00 65.53 N ATOM 373 CA LYS A 30 -8.101 22.218 15.327 1.00 65.45 C ATOM 374 C LYS A 30 -9.317 21.751 14.532 1.00 42.05 C ATOM 375 O LYS A 30 -9.693 20.580 14.588 1.00 11.41 O ATOM 376 CB LYS A 30 -8.555 23.005 16.557 1.00 61.34 C ATOM 377 CG LYS A 30 -9.894 23.699 16.376 1.00 63.55 C ATOM 378 CD LYS A 30 -10.275 24.506 17.606 1.00 42.03 C ATOM 379 CE LYS A 30 -10.597 23.603 18.787 1.00 32.52 C ATOM 380 NZ LYS A 30 -11.850 22.829 18.569 1.00 31.41 N ATOM 0 H LYS A 30 -7.234 24.029 14.726 1.00 65.53 H new ATOM 0 HA LYS A 30 -7.541 21.341 15.652 1.00 65.45 H new ATOM 0 HB2 LYS A 30 -8.619 22.327 17.408 1.00 61.34 H new ATOM 0 HB3 LYS A 30 -7.799 23.751 16.800 1.00 61.34 H new ATOM 0 HG2 LYS A 30 -9.850 24.357 15.508 1.00 63.55 H new ATOM 0 HG3 LYS A 30 -10.665 22.956 16.174 1.00 63.55 H new ATOM 0 HD2 LYS A 30 -9.457 25.176 17.871 1.00 42.03 H new ATOM 0 HD3 LYS A 30 -11.138 25.132 17.379 1.00 42.03 H new ATOM 0 HE2 LYS A 30 -9.769 22.914 18.953 1.00 32.52 H new ATOM 0 HE3 LYS A 30 -10.696 24.207 19.689 1.00 32.52 H new ATOM 0 HZ1 LYS A 30 -12.537 23.064 19.314 1.00 31.41 H new ATOM 0 HZ2 LYS A 30 -12.250 23.071 17.640 1.00 31.41 H new ATOM 0 HZ3 LYS A 30 -11.639 21.811 18.601 1.00 31.41 H new ATOM 390 N GLU A 31 -9.925 22.673 13.792 1.00 22.33 N ATOM 391 CA GLU A 31 -11.097 22.354 12.986 1.00 30.41 C ATOM 392 C GLU A 31 -10.845 21.120 12.124 1.00 62.34 C ATOM 393 O GLU A 31 -11.776 20.395 11.772 1.00 31.12 O ATOM 394 CB GLU A 31 -11.471 23.542 12.098 1.00 42.23 C ATOM 395 CG GLU A 31 -10.382 23.933 11.113 1.00 4.21 C ATOM 396 CD GLU A 31 -10.903 24.795 9.979 1.00 62.14 C ATOM 397 OE1 GLU A 31 -11.862 25.561 10.208 1.00 40.21 O ATOM 398 OE2 GLU A 31 -10.350 24.703 8.863 1.00 23.22 O ATOM 0 H GLU A 31 -9.625 23.646 13.734 1.00 22.33 H new ATOM 0 HA GLU A 31 -11.925 22.140 13.663 1.00 30.41 H new ATOM 0 HB2 GLU A 31 -12.379 23.300 11.546 1.00 42.23 H new ATOM 0 HB3 GLU A 31 -11.702 24.399 12.731 1.00 42.23 H new ATOM 0 HG2 GLU A 31 -9.595 24.471 11.642 1.00 4.21 H new ATOM 0 HG3 GLU A 31 -9.929 23.031 10.701 1.00 4.21 H new ATOM 403 N TYR A 32 -9.581 20.889 11.787 1.00 54.41 N ATOM 404 CA TYR A 32 -9.206 19.745 10.963 1.00 35.04 C ATOM 405 C TYR A 32 -9.224 18.457 11.781 1.00 51.30 C ATOM 406 O TYR A 32 -9.575 17.391 11.273 1.00 45.41 O ATOM 407 CB TYR A 32 -7.818 19.959 10.359 1.00 73.24 C ATOM 408 CG TYR A 32 -7.085 18.672 10.055 1.00 74.40 C ATOM 409 CD1 TYR A 32 -6.487 17.933 11.070 1.00 3.34 C ATOM 410 CD2 TYR A 32 -6.990 18.194 8.754 1.00 23.44 C ATOM 411 CE1 TYR A 32 -5.816 16.758 10.797 1.00 20.00 C ATOM 412 CE2 TYR A 32 -6.321 17.018 8.472 1.00 54.21 C ATOM 413 CZ TYR A 32 -5.737 16.303 9.496 1.00 34.34 C ATOM 414 OH TYR A 32 -5.069 15.132 9.220 1.00 32.34 O ATOM 0 H TYR A 32 -8.799 21.478 12.071 1.00 54.41 H new ATOM 0 HA TYR A 32 -9.935 19.654 10.158 1.00 35.04 H new ATOM 0 HB2 TYR A 32 -7.916 20.537 9.440 1.00 73.24 H new ATOM 0 HB3 TYR A 32 -7.219 20.554 11.048 1.00 73.24 H new ATOM 0 HD1 TYR A 32 -6.549 18.284 12.089 1.00 3.34 H new ATOM 0 HD2 TYR A 32 -7.447 18.751 7.949 1.00 23.44 H new ATOM 0 HE1 TYR A 32 -5.355 16.198 11.597 1.00 20.00 H new ATOM 0 HE2 TYR A 32 -6.256 16.661 7.455 1.00 54.21 H new ATOM 0 HH TYR A 32 -5.107 14.953 8.257 1.00 32.34 H new ATOM 423 N ILE A 33 -8.845 18.563 13.050 1.00 63.01 N ATOM 424 CA ILE A 33 -8.819 17.408 13.938 1.00 40.14 C ATOM 425 C ILE A 33 -10.140 17.258 14.684 1.00 2.43 C ATOM 426 O ILE A 33 -10.816 16.234 14.575 1.00 52.40 O ATOM 427 CB ILE A 33 -7.673 17.510 14.962 1.00 2.21 C ATOM 428 CG1 ILE A 33 -8.101 16.905 16.301 1.00 53.01 C ATOM 429 CG2 ILE A 33 -7.252 18.961 15.141 1.00 15.25 C ATOM 430 CD1 ILE A 33 -7.013 16.932 17.351 1.00 71.02 C ATOM 0 H ILE A 33 -8.552 19.437 13.486 1.00 63.01 H new ATOM 0 HA ILE A 33 -8.657 16.532 13.310 1.00 40.14 H new ATOM 0 HB ILE A 33 -6.818 16.947 14.587 1.00 2.21 H new ATOM 0 HG12 ILE A 33 -8.969 17.448 16.675 1.00 53.01 H new ATOM 0 HG13 ILE A 33 -8.415 15.873 16.141 1.00 53.01 H new ATOM 0 HG21 ILE A 33 -6.441 19.018 15.868 1.00 15.25 H new ATOM 0 HG22 ILE A 33 -6.912 19.362 14.186 1.00 15.25 H new ATOM 0 HG23 ILE A 33 -8.101 19.545 15.498 1.00 15.25 H new ATOM 0 HD11 ILE A 33 -7.387 16.488 18.274 1.00 71.02 H new ATOM 0 HD12 ILE A 33 -6.152 16.365 16.997 1.00 71.02 H new ATOM 0 HD13 ILE A 33 -6.715 17.963 17.540 1.00 71.02 H new ATOM 441 N THR A 34 -10.506 18.287 15.441 1.00 0.44 N ATOM 442 CA THR A 34 -11.747 18.272 16.205 1.00 51.42 C ATOM 443 C THR A 34 -12.853 17.548 15.443 1.00 23.54 C ATOM 444 O THR A 34 -13.556 16.706 16.001 1.00 72.40 O ATOM 445 CB THR A 34 -12.220 19.699 16.539 1.00 13.21 C ATOM 446 OG1 THR A 34 -13.548 19.663 17.075 1.00 24.24 O ATOM 447 CG2 THR A 34 -12.192 20.583 15.300 1.00 33.42 C ATOM 0 H THR A 34 -9.960 19.143 15.542 1.00 0.44 H new ATOM 0 HA THR A 34 -11.539 17.740 17.133 1.00 51.42 H new ATOM 0 HB THR A 34 -11.540 20.118 17.281 1.00 13.21 H new ATOM 0 HG1 THR A 34 -13.840 20.574 17.286 1.00 24.24 H new ATOM 0 HG21 THR A 34 -12.530 21.586 15.561 1.00 33.42 H new ATOM 0 HG22 THR A 34 -11.175 20.633 14.911 1.00 33.42 H new ATOM 0 HG23 THR A 34 -12.851 20.164 14.539 1.00 33.42 H new ATOM 604 N PRO A 46 -14.078 -0.928 19.674 1.00 73.41 N ATOM 605 CA PRO A 46 -14.247 -2.182 18.934 1.00 52.52 C ATOM 606 C PRO A 46 -15.488 -2.953 19.377 1.00 24.54 C ATOM 607 O PRO A 46 -15.970 -3.832 18.664 1.00 23.52 O ATOM 608 CB PRO A 46 -12.980 -2.970 19.275 1.00 45.21 C ATOM 609 CG PRO A 46 -12.539 -2.427 20.591 1.00 61.32 C ATOM 610 CD PRO A 46 -12.926 -0.975 20.590 1.00 13.00 C ATOM 0 HA PRO A 46 -14.384 -2.010 17.866 1.00 52.52 H new ATOM 0 HB2 PRO A 46 -13.183 -4.039 19.336 1.00 45.21 H new ATOM 0 HB3 PRO A 46 -12.212 -2.834 18.513 1.00 45.21 H new ATOM 0 HG2 PRO A 46 -13.019 -2.958 21.413 1.00 61.32 H new ATOM 0 HG3 PRO A 46 -11.463 -2.544 20.721 1.00 61.32 H new ATOM 0 HD2 PRO A 46 -13.193 -0.630 21.589 1.00 13.00 H new ATOM 0 HD3 PRO A 46 -12.110 -0.342 20.242 1.00 13.00 H new ATOM 615 N GLU A 47 -15.998 -2.615 20.557 1.00 44.55 N ATOM 616 CA GLU A 47 -17.183 -3.276 21.092 1.00 0.40 C ATOM 617 C GLU A 47 -18.454 -2.559 20.648 1.00 3.40 C ATOM 618 O GLU A 47 -19.564 -2.974 20.986 1.00 44.40 O ATOM 619 CB GLU A 47 -17.119 -3.325 22.621 1.00 3.11 C ATOM 620 CG GLU A 47 -15.882 -4.026 23.156 1.00 31.11 C ATOM 621 CD GLU A 47 -16.106 -4.641 24.524 1.00 53.12 C ATOM 622 OE1 GLU A 47 -16.992 -4.151 25.255 1.00 14.32 O ATOM 623 OE2 GLU A 47 -15.397 -5.611 24.863 1.00 64.21 O ATOM 0 H GLU A 47 -15.610 -1.889 21.160 1.00 44.55 H new ATOM 0 HA GLU A 47 -17.207 -4.294 20.703 1.00 0.40 H new ATOM 0 HB2 GLU A 47 -17.146 -2.307 23.010 1.00 3.11 H new ATOM 0 HB3 GLU A 47 -18.006 -3.834 22.997 1.00 3.11 H new ATOM 0 HG2 GLU A 47 -15.579 -4.805 22.457 1.00 31.11 H new ATOM 0 HG3 GLU A 47 -15.060 -3.312 23.213 1.00 31.11 H new ATOM 628 N ASP A 48 -18.285 -1.482 19.890 1.00 2.10 N ATOM 629 CA ASP A 48 -19.417 -0.707 19.398 1.00 13.30 C ATOM 630 C ASP A 48 -19.888 -1.230 18.045 1.00 50.30 C ATOM 631 O ASP A 48 -20.632 -0.558 17.332 1.00 12.53 O ATOM 632 CB ASP A 48 -19.041 0.771 19.284 1.00 24.20 C ATOM 633 CG ASP A 48 -20.250 1.664 19.084 1.00 54.44 C ATOM 634 OD1 ASP A 48 -21.104 1.718 19.994 1.00 11.11 O ATOM 635 OD2 ASP A 48 -20.342 2.308 18.019 1.00 52.03 O ATOM 0 H ASP A 48 -17.374 -1.125 19.603 1.00 2.10 H new ATOM 0 HA ASP A 48 -20.234 -0.812 20.112 1.00 13.30 H new ATOM 0 HB2 ASP A 48 -18.511 1.078 20.186 1.00 24.20 H new ATOM 0 HB3 ASP A 48 -18.353 0.904 18.449 1.00 24.20 H new ATOM 639 N ASN A 49 -19.448 -2.435 17.696 1.00 65.20 N ATOM 640 CA ASN A 49 -19.822 -3.048 16.427 1.00 60.30 C ATOM 641 C ASN A 49 -21.030 -3.963 16.600 1.00 34.03 C ATOM 642 O ASN A 49 -21.703 -4.312 15.630 1.00 55.05 O ATOM 643 CB ASN A 49 -18.646 -3.841 15.853 1.00 22.21 C ATOM 644 CG ASN A 49 -18.993 -4.523 14.544 1.00 73.21 C ATOM 645 OD1 ASN A 49 -19.295 -3.865 13.549 1.00 21.32 O ATOM 646 ND2 ASN A 49 -18.951 -5.850 14.540 1.00 65.32 N ATOM 0 H ASN A 49 -18.832 -3.006 18.275 1.00 65.20 H new ATOM 0 HA ASN A 49 -20.088 -2.251 15.732 1.00 60.30 H new ATOM 0 HB2 ASN A 49 -17.801 -3.171 15.697 1.00 22.21 H new ATOM 0 HB3 ASN A 49 -18.329 -4.591 16.578 1.00 22.21 H new ATOM 0 HD21 ASN A 49 -19.174 -6.365 13.688 1.00 65.32 H new ATOM 0 HD22 ASN A 49 -18.695 -6.355 15.389 1.00 65.32 H new ATOM 652 N LYS A 50 -21.300 -4.347 17.843 1.00 15.31 N ATOM 653 CA LYS A 50 -22.428 -5.220 18.147 1.00 52.11 C ATOM 654 C LYS A 50 -23.680 -4.404 18.457 1.00 72.34 C ATOM 655 O LYS A 50 -24.794 -4.924 18.429 1.00 1.50 O ATOM 656 CB LYS A 50 -22.093 -6.129 19.331 1.00 50.10 C ATOM 657 CG LYS A 50 -23.159 -7.172 19.620 1.00 0.31 C ATOM 658 CD LYS A 50 -23.837 -6.922 20.956 1.00 10.14 C ATOM 659 CE LYS A 50 -24.257 -8.223 21.620 1.00 34.13 C ATOM 660 NZ LYS A 50 -25.098 -9.059 20.720 1.00 42.55 N ATOM 0 H LYS A 50 -20.753 -4.067 18.657 1.00 15.31 H new ATOM 0 HA LYS A 50 -22.625 -5.836 17.269 1.00 52.11 H new ATOM 0 HB2 LYS A 50 -21.147 -6.634 19.134 1.00 50.10 H new ATOM 0 HB3 LYS A 50 -21.948 -5.515 20.220 1.00 50.10 H new ATOM 0 HG2 LYS A 50 -23.905 -7.161 18.825 1.00 0.31 H new ATOM 0 HG3 LYS A 50 -22.708 -8.164 19.620 1.00 0.31 H new ATOM 0 HD2 LYS A 50 -23.158 -6.379 21.614 1.00 10.14 H new ATOM 0 HD3 LYS A 50 -24.712 -6.289 20.808 1.00 10.14 H new ATOM 0 HE2 LYS A 50 -23.370 -8.784 21.913 1.00 34.13 H new ATOM 0 HE3 LYS A 50 -24.810 -8.003 22.533 1.00 34.13 H new ATOM 0 HZ1 LYS A 50 -25.503 -9.851 21.259 1.00 42.55 H new ATOM 0 HZ2 LYS A 50 -25.867 -8.480 20.326 1.00 42.55 H new ATOM 0 HZ3 LYS A 50 -24.513 -9.431 19.945 1.00 42.55 H new ATOM 670 N GLY A 51 -23.487 -3.122 18.752 1.00 64.24 N ATOM 671 CA GLY A 51 -24.609 -2.255 19.061 1.00 74.34 C ATOM 672 C GLY A 51 -25.355 -1.808 17.820 1.00 14.44 C ATOM 673 O GLY A 51 -26.560 -1.557 17.868 1.00 11.32 O ATOM 0 H GLY A 51 -22.574 -2.669 18.782 1.00 64.24 H new ATOM 0 HA2 GLY A 51 -25.296 -2.778 19.726 1.00 74.34 H new ATOM 0 HA3 GLY A 51 -24.249 -1.379 19.600 1.00 74.34 H new ATOM 676 N VAL A 52 -24.639 -1.705 16.705 1.00 4.23 N ATOM 677 CA VAL A 52 -25.241 -1.284 15.446 1.00 50.31 C ATOM 678 C VAL A 52 -26.263 -2.305 14.957 1.00 3.14 C ATOM 679 O VAL A 52 -27.312 -1.943 14.424 1.00 30.24 O ATOM 680 CB VAL A 52 -24.174 -1.079 14.354 1.00 12.35 C ATOM 681 CG1 VAL A 52 -23.127 -0.075 14.814 1.00 41.25 C ATOM 682 CG2 VAL A 52 -23.528 -2.405 13.986 1.00 61.43 C ATOM 0 H VAL A 52 -23.641 -1.907 16.648 1.00 4.23 H new ATOM 0 HA VAL A 52 -25.742 -0.335 15.637 1.00 50.31 H new ATOM 0 HB VAL A 52 -24.660 -0.679 13.464 1.00 12.35 H new ATOM 0 HG11 VAL A 52 -22.381 0.058 14.030 1.00 41.25 H new ATOM 0 HG12 VAL A 52 -23.607 0.881 15.024 1.00 41.25 H new ATOM 0 HG13 VAL A 52 -22.642 -0.443 15.718 1.00 41.25 H new ATOM 0 HG21 VAL A 52 -22.777 -2.242 13.213 1.00 61.43 H new ATOM 0 HG22 VAL A 52 -23.054 -2.836 14.868 1.00 61.43 H new ATOM 0 HG23 VAL A 52 -24.290 -3.090 13.613 1.00 61.43 H new ATOM 692 N PHE A 53 -25.950 -3.583 15.142 1.00 3.12 N ATOM 693 CA PHE A 53 -26.840 -4.657 14.719 1.00 21.21 C ATOM 694 C PHE A 53 -27.903 -4.931 15.778 1.00 53.55 C ATOM 695 O PHE A 53 -28.818 -5.725 15.562 1.00 51.14 O ATOM 696 CB PHE A 53 -26.040 -5.932 14.441 1.00 32.14 C ATOM 697 CG PHE A 53 -25.193 -5.850 13.203 1.00 72.14 C ATOM 698 CD1 PHE A 53 -25.738 -6.115 11.957 1.00 3.11 C ATOM 699 CD2 PHE A 53 -23.853 -5.508 13.286 1.00 50.31 C ATOM 700 CE1 PHE A 53 -24.960 -6.041 10.817 1.00 61.13 C ATOM 701 CE2 PHE A 53 -23.071 -5.433 12.149 1.00 64.12 C ATOM 702 CZ PHE A 53 -23.626 -5.699 10.913 1.00 63.21 C ATOM 0 H PHE A 53 -25.086 -3.900 15.582 1.00 3.12 H new ATOM 0 HA PHE A 53 -27.338 -4.342 13.802 1.00 21.21 H new ATOM 0 HB2 PHE A 53 -25.399 -6.143 15.297 1.00 32.14 H new ATOM 0 HB3 PHE A 53 -26.730 -6.771 14.345 1.00 32.14 H new ATOM 0 HD1 PHE A 53 -26.781 -6.382 11.876 1.00 3.11 H new ATOM 0 HD2 PHE A 53 -23.415 -5.298 14.250 1.00 50.31 H new ATOM 0 HE1 PHE A 53 -25.396 -6.251 9.851 1.00 61.13 H new ATOM 0 HE2 PHE A 53 -22.027 -5.167 12.227 1.00 64.12 H new ATOM 0 HZ PHE A 53 -23.017 -5.640 10.023 1.00 63.21 H new ATOM 711 N GLN A 54 -27.774 -4.268 16.923 1.00 71.11 N ATOM 712 CA GLN A 54 -28.722 -4.441 18.017 1.00 52.12 C ATOM 713 C GLN A 54 -30.136 -4.082 17.573 1.00 12.11 C ATOM 714 O GLN A 54 -31.117 -4.554 18.147 1.00 63.32 O ATOM 715 CB GLN A 54 -28.316 -3.579 19.214 1.00 63.10 C ATOM 716 CG GLN A 54 -28.727 -4.166 20.554 1.00 63.34 C ATOM 717 CD GLN A 54 -29.036 -3.101 21.588 1.00 70.24 C ATOM 718 OE1 GLN A 54 -28.839 -1.911 21.347 1.00 31.33 O ATOM 719 NE2 GLN A 54 -29.525 -3.526 22.747 1.00 32.03 N ATOM 0 H GLN A 54 -27.022 -3.606 17.117 1.00 71.11 H new ATOM 0 HA GLN A 54 -28.709 -5.490 18.313 1.00 52.12 H new ATOM 0 HB2 GLN A 54 -27.235 -3.443 19.203 1.00 63.10 H new ATOM 0 HB3 GLN A 54 -28.763 -2.591 19.107 1.00 63.10 H new ATOM 0 HG2 GLN A 54 -29.604 -4.798 20.416 1.00 63.34 H new ATOM 0 HG3 GLN A 54 -27.928 -4.807 20.926 1.00 63.34 H new ATOM 0 HE21 GLN A 54 -29.672 -4.523 22.903 1.00 32.03 H new ATOM 0 HE22 GLN A 54 -29.753 -2.855 23.481 1.00 32.03 H new ATOM 726 N GLY A 55 -30.235 -3.243 16.546 1.00 22.32 N ATOM 727 CA GLY A 55 -31.533 -2.835 16.043 1.00 10.04 C ATOM 728 C GLY A 55 -32.037 -3.741 14.939 1.00 45.52 C ATOM 729 O GLY A 55 -33.183 -4.193 14.970 1.00 31.24 O ATOM 0 H GLY A 55 -29.439 -2.839 16.053 1.00 22.32 H new ATOM 0 HA2 GLY A 55 -32.252 -2.831 16.862 1.00 10.04 H new ATOM 0 HA3 GLY A 55 -31.470 -1.813 15.670 1.00 10.04 H new ATOM 732 N VAL A 56 -31.183 -4.007 13.956 1.00 63.14 N ATOM 733 CA VAL A 56 -31.549 -4.865 12.835 1.00 72.40 C ATOM 734 C VAL A 56 -31.790 -6.298 13.296 1.00 50.30 C ATOM 735 O VAL A 56 -32.678 -6.983 12.787 1.00 61.13 O ATOM 736 CB VAL A 56 -30.457 -4.865 11.748 1.00 40.25 C ATOM 737 CG1 VAL A 56 -30.281 -3.470 11.168 1.00 53.53 C ATOM 738 CG2 VAL A 56 -29.143 -5.386 12.312 1.00 54.31 C ATOM 0 H VAL A 56 -30.232 -3.640 13.913 1.00 63.14 H new ATOM 0 HA VAL A 56 -32.470 -4.461 12.415 1.00 72.40 H new ATOM 0 HB VAL A 56 -30.770 -5.531 10.944 1.00 40.25 H new ATOM 0 HG11 VAL A 56 -29.506 -3.490 10.402 1.00 53.53 H new ATOM 0 HG12 VAL A 56 -31.220 -3.139 10.725 1.00 53.53 H new ATOM 0 HG13 VAL A 56 -29.991 -2.780 11.961 1.00 53.53 H new ATOM 0 HG21 VAL A 56 -28.383 -5.379 11.530 1.00 54.31 H new ATOM 0 HG22 VAL A 56 -28.822 -4.748 13.136 1.00 54.31 H new ATOM 0 HG23 VAL A 56 -29.281 -6.405 12.675 1.00 54.31 H new ATOM 748 N HIS A 57 -30.996 -6.745 14.264 1.00 70.11 N ATOM 749 CA HIS A 57 -31.125 -8.097 14.795 1.00 11.34 C ATOM 750 C HIS A 57 -32.577 -8.406 15.148 1.00 64.14 C ATOM 751 O HIS A 57 -33.172 -9.338 14.607 1.00 74.32 O ATOM 752 CB HIS A 57 -30.240 -8.268 16.030 1.00 75.14 C ATOM 753 CG HIS A 57 -28.836 -8.681 15.709 1.00 44.32 C ATOM 754 ND1 HIS A 57 -27.762 -8.395 16.525 1.00 43.30 N ATOM 755 CD2 HIS A 57 -28.334 -9.363 14.653 1.00 25.44 C ATOM 756 CE1 HIS A 57 -26.659 -8.881 15.984 1.00 55.12 C ATOM 757 NE2 HIS A 57 -26.979 -9.473 14.848 1.00 71.45 N ATOM 0 H HIS A 57 -30.257 -6.191 14.696 1.00 70.11 H new ATOM 0 HA HIS A 57 -30.801 -8.796 14.025 1.00 11.34 H new ATOM 0 HB2 HIS A 57 -30.216 -7.329 16.583 1.00 75.14 H new ATOM 0 HB3 HIS A 57 -30.688 -9.013 16.687 1.00 75.14 H new ATOM 0 HD2 HIS A 57 -28.894 -9.749 13.814 1.00 25.44 H new ATOM 0 HE1 HIS A 57 -25.665 -8.807 16.400 1.00 55.12 H new ATOM 0 HE2 HIS A 57 -26.325 -9.937 14.217 1.00 71.45 H new ATOM 764 N ASP A 58 -33.140 -7.619 16.058 1.00 24.31 N ATOM 765 CA ASP A 58 -34.522 -7.808 16.483 1.00 62.33 C ATOM 766 C ASP A 58 -35.485 -7.545 15.331 1.00 41.23 C ATOM 767 O ASP A 58 -36.653 -7.927 15.386 1.00 54.54 O ATOM 768 CB ASP A 58 -34.847 -6.884 17.658 1.00 63.15 C ATOM 769 CG ASP A 58 -35.845 -7.500 18.619 1.00 55.33 C ATOM 770 OD1 ASP A 58 -37.062 -7.302 18.420 1.00 43.52 O ATOM 771 OD2 ASP A 58 -35.409 -8.182 19.570 1.00 32.11 O ATOM 0 H ASP A 58 -32.660 -6.844 16.516 1.00 24.31 H new ATOM 0 HA ASP A 58 -34.640 -8.844 16.802 1.00 62.33 H new ATOM 0 HB2 ASP A 58 -33.929 -6.647 18.195 1.00 63.15 H new ATOM 0 HB3 ASP A 58 -35.246 -5.944 17.278 1.00 63.15 H new ATOM 775 N SER A 59 -34.988 -6.888 14.288 1.00 61.42 N ATOM 776 CA SER A 59 -35.806 -6.569 13.123 1.00 72.24 C ATOM 777 C SER A 59 -35.853 -7.746 12.154 1.00 61.11 C ATOM 778 O SER A 59 -36.794 -7.883 11.373 1.00 53.35 O ATOM 779 CB SER A 59 -35.258 -5.330 12.413 1.00 51.20 C ATOM 780 OG SER A 59 -36.210 -4.800 11.506 1.00 30.40 O ATOM 0 H SER A 59 -34.022 -6.566 14.226 1.00 61.42 H new ATOM 0 HA SER A 59 -36.820 -6.363 13.466 1.00 72.24 H new ATOM 0 HB2 SER A 59 -34.992 -4.572 13.150 1.00 51.20 H new ATOM 0 HB3 SER A 59 -34.345 -5.588 11.877 1.00 51.20 H new ATOM 0 HG SER A 59 -35.837 -4.008 11.066 1.00 30.40 H new ATOM 785 N ALA A 60 -34.830 -8.592 12.210 1.00 32.10 N ATOM 786 CA ALA A 60 -34.754 -9.759 11.339 1.00 45.22 C ATOM 787 C ALA A 60 -35.432 -10.966 11.978 1.00 33.33 C ATOM 788 O ALA A 60 -35.317 -12.087 11.483 1.00 34.12 O ATOM 789 CB ALA A 60 -33.304 -10.078 11.008 1.00 31.44 C ATOM 0 H ALA A 60 -34.042 -8.491 12.850 1.00 32.10 H new ATOM 0 HA ALA A 60 -35.282 -9.526 10.414 1.00 45.22 H new ATOM 0 HB1 ALA A 60 -33.263 -10.951 10.357 1.00 31.44 H new ATOM 0 HB2 ALA A 60 -32.851 -9.226 10.501 1.00 31.44 H new ATOM 0 HB3 ALA A 60 -32.758 -10.285 11.928 1.00 31.44 H new ATOM 795 N GLU A 61 -36.137 -10.729 13.080 1.00 31.34 N ATOM 796 CA GLU A 61 -36.831 -11.799 13.786 1.00 34.32 C ATOM 797 C GLU A 61 -37.693 -12.615 12.828 1.00 14.30 C ATOM 798 O GLU A 61 -37.842 -13.826 12.987 1.00 43.44 O ATOM 799 CB GLU A 61 -37.700 -11.221 14.905 1.00 35.34 C ATOM 800 CG GLU A 61 -38.614 -12.245 15.558 1.00 62.10 C ATOM 801 CD GLU A 61 -38.573 -12.182 17.072 1.00 43.23 C ATOM 802 OE1 GLU A 61 -37.467 -12.034 17.630 1.00 63.43 O ATOM 803 OE2 GLU A 61 -39.649 -12.282 17.699 1.00 52.22 O ATOM 0 H GLU A 61 -36.242 -9.807 13.502 1.00 31.34 H new ATOM 0 HA GLU A 61 -36.080 -12.458 14.222 1.00 34.32 H new ATOM 0 HB2 GLU A 61 -37.054 -10.785 15.667 1.00 35.34 H new ATOM 0 HB3 GLU A 61 -38.307 -10.411 14.500 1.00 35.34 H new ATOM 0 HG2 GLU A 61 -39.637 -12.082 15.219 1.00 62.10 H new ATOM 0 HG3 GLU A 61 -38.326 -13.244 15.232 1.00 62.10 H new ATOM 808 N LYS A 62 -38.259 -11.942 11.832 1.00 13.35 N ATOM 809 CA LYS A 62 -39.106 -12.601 10.846 1.00 72.15 C ATOM 810 C LYS A 62 -38.266 -13.394 9.850 1.00 11.42 C ATOM 811 O LYS A 62 -38.688 -14.442 9.363 1.00 34.13 O ATOM 812 CB LYS A 62 -39.958 -11.570 10.104 1.00 1.41 C ATOM 813 CG LYS A 62 -40.747 -12.154 8.943 1.00 33.23 C ATOM 814 CD LYS A 62 -42.092 -11.466 8.781 1.00 73.21 C ATOM 815 CE LYS A 62 -41.931 -10.024 8.328 1.00 25.54 C ATOM 816 NZ LYS A 62 -43.152 -9.217 8.599 1.00 51.11 N ATOM 0 H LYS A 62 -38.146 -10.939 11.687 1.00 13.35 H new ATOM 0 HA LYS A 62 -39.762 -13.293 11.373 1.00 72.15 H new ATOM 0 HB2 LYS A 62 -40.651 -11.109 10.808 1.00 1.41 H new ATOM 0 HB3 LYS A 62 -39.310 -10.777 9.730 1.00 1.41 H new ATOM 0 HG2 LYS A 62 -40.172 -12.052 8.023 1.00 33.23 H new ATOM 0 HG3 LYS A 62 -40.900 -13.221 9.106 1.00 33.23 H new ATOM 0 HD2 LYS A 62 -42.695 -12.011 8.055 1.00 73.21 H new ATOM 0 HD3 LYS A 62 -42.632 -11.493 9.728 1.00 73.21 H new ATOM 0 HE2 LYS A 62 -41.079 -9.576 8.839 1.00 25.54 H new ATOM 0 HE3 LYS A 62 -41.710 -10.001 7.261 1.00 25.54 H new ATOM 0 HZ1 LYS A 62 -43.001 -8.240 8.275 1.00 51.11 H new ATOM 0 HZ2 LYS A 62 -43.960 -9.629 8.091 1.00 51.11 H new ATOM 0 HZ3 LYS A 62 -43.349 -9.217 9.620 1.00 51.11 H new ATOM 826 N GLY A 63 -37.073 -12.886 9.552 1.00 54.50 N ATOM 827 CA GLY A 63 -36.193 -13.561 8.617 1.00 22.12 C ATOM 828 C GLY A 63 -35.157 -14.422 9.313 1.00 31.05 C ATOM 829 O GLY A 63 -34.197 -14.877 8.692 1.00 45.14 O ATOM 0 H GLY A 63 -36.701 -12.020 9.942 1.00 54.50 H new ATOM 0 HA2 GLY A 63 -36.787 -14.183 7.948 1.00 22.12 H new ATOM 0 HA3 GLY A 63 -35.688 -12.819 7.998 1.00 22.12 H new ATOM 832 N LYS A 64 -35.350 -14.644 10.609 1.00 74.41 N ATOM 833 CA LYS A 64 -34.426 -15.456 11.392 1.00 75.04 C ATOM 834 C LYS A 64 -35.115 -16.712 11.918 1.00 2.20 C ATOM 835 O LYS A 64 -34.459 -17.636 12.398 1.00 3.44 O ATOM 836 CB LYS A 64 -33.865 -14.642 12.561 1.00 61.01 C ATOM 837 CG LYS A 64 -34.713 -14.722 13.819 1.00 32.51 C ATOM 838 CD LYS A 64 -34.078 -13.955 14.968 1.00 53.52 C ATOM 839 CE LYS A 64 -34.650 -14.387 16.310 1.00 42.22 C ATOM 840 NZ LYS A 64 -36.139 -14.351 16.316 1.00 24.32 N ATOM 0 H LYS A 64 -36.138 -14.273 11.139 1.00 74.41 H new ATOM 0 HA LYS A 64 -33.606 -15.759 10.740 1.00 75.04 H new ATOM 0 HB2 LYS A 64 -32.859 -14.994 12.788 1.00 61.01 H new ATOM 0 HB3 LYS A 64 -33.777 -13.599 12.258 1.00 61.01 H new ATOM 0 HG2 LYS A 64 -35.706 -14.320 13.616 1.00 32.51 H new ATOM 0 HG3 LYS A 64 -34.844 -15.766 14.105 1.00 32.51 H new ATOM 0 HD2 LYS A 64 -33.000 -14.115 14.962 1.00 53.52 H new ATOM 0 HD3 LYS A 64 -34.242 -12.887 14.828 1.00 53.52 H new ATOM 0 HE2 LYS A 64 -34.310 -15.396 16.542 1.00 42.22 H new ATOM 0 HE3 LYS A 64 -34.268 -13.734 17.095 1.00 42.22 H new ATOM 0 HZ1 LYS A 64 -36.466 -13.642 17.003 1.00 24.32 H new ATOM 0 HZ2 LYS A 64 -36.484 -14.099 15.368 1.00 24.32 H new ATOM 0 HZ3 LYS A 64 -36.508 -15.287 16.581 1.00 24.32 H new ATOM 850 N ASP A 65 -36.439 -16.738 11.821 1.00 62.33 N ATOM 851 CA ASP A 65 -37.216 -17.882 12.283 1.00 54.20 C ATOM 852 C ASP A 65 -37.733 -18.702 11.105 1.00 5.42 C ATOM 853 O ASP A 65 -38.608 -19.552 11.263 1.00 0.35 O ATOM 854 CB ASP A 65 -38.389 -17.414 13.147 1.00 32.01 C ATOM 855 CG ASP A 65 -39.087 -18.562 13.848 1.00 33.52 C ATOM 856 OD1 ASP A 65 -38.398 -19.346 14.534 1.00 20.31 O ATOM 857 OD2 ASP A 65 -40.322 -18.676 13.713 1.00 44.43 O ATOM 0 H ASP A 65 -36.997 -15.980 11.427 1.00 62.33 H new ATOM 0 HA ASP A 65 -36.561 -18.514 12.883 1.00 54.20 H new ATOM 0 HB2 ASP A 65 -38.028 -16.704 13.891 1.00 32.01 H new ATOM 0 HB3 ASP A 65 -39.107 -16.883 12.522 1.00 32.01 H new ATOM 861 N ASN A 66 -37.184 -18.439 9.923 1.00 11.51 N ATOM 862 CA ASN A 66 -37.592 -19.150 8.716 1.00 71.40 C ATOM 863 C ASN A 66 -37.616 -20.657 8.956 1.00 22.12 C ATOM 864 O ASN A 66 -38.328 -21.393 8.273 1.00 2.31 O ATOM 865 CB ASN A 66 -36.643 -18.822 7.561 1.00 31.32 C ATOM 866 CG ASN A 66 -35.272 -18.389 8.044 1.00 20.24 C ATOM 867 OD1 ASN A 66 -34.655 -19.209 8.888 1.00 30.14 O flip ATOM 868 ND2 ASN A 66 -34.774 -17.330 7.664 1.00 42.04 N flip ATOM 0 H ASN A 66 -36.456 -17.740 9.775 1.00 11.51 H new ATOM 0 HA ASN A 66 -38.599 -18.824 8.454 1.00 71.40 H new ATOM 0 HB2 ASN A 66 -36.540 -19.697 6.920 1.00 31.32 H new ATOM 0 HB3 ASN A 66 -37.077 -18.030 6.951 1.00 31.32 H new ATOM 0 HD21 ASN A 66 -35.284 -16.731 7.015 1.00 42.04 H new ATOM 0 HD22 ASN A 66 -33.851 -17.051 7.998 1.00 42.04 H new ATOM 874 N ALA A 67 -36.834 -21.109 9.932 1.00 4.43 N ATOM 875 CA ALA A 67 -36.769 -22.526 10.263 1.00 23.45 C ATOM 876 C ALA A 67 -38.165 -23.114 10.438 1.00 1.52 C ATOM 877 O ALA A 67 -38.394 -24.289 10.152 1.00 24.53 O ATOM 878 CB ALA A 67 -35.944 -22.735 11.525 1.00 55.04 C ATOM 0 H ALA A 67 -36.237 -20.514 10.506 1.00 4.43 H new ATOM 0 HA ALA A 67 -36.286 -23.046 9.435 1.00 23.45 H new ATOM 0 HB1 ALA A 67 -35.903 -23.798 11.761 1.00 55.04 H new ATOM 0 HB2 ALA A 67 -34.933 -22.360 11.365 1.00 55.04 H new ATOM 0 HB3 ALA A 67 -36.404 -22.197 12.354 1.00 55.04 H new ATOM 947 N LEU A 74 -42.669 -24.853 0.984 1.00 33.35 N ATOM 948 CA LEU A 74 -42.470 -26.298 0.992 1.00 21.43 C ATOM 949 C LEU A 74 -41.456 -26.714 -0.070 1.00 54.55 C ATOM 950 O LEU A 74 -40.949 -27.835 -0.052 1.00 63.21 O ATOM 951 CB LEU A 74 -43.799 -27.017 0.754 1.00 73.20 C ATOM 952 CG LEU A 74 -44.157 -27.300 -0.705 1.00 0.44 C ATOM 953 CD1 LEU A 74 -43.657 -28.674 -1.121 1.00 61.55 C ATOM 954 CD2 LEU A 74 -45.660 -27.192 -0.916 1.00 10.31 C ATOM 0 HA LEU A 74 -42.081 -26.581 1.970 1.00 21.43 H new ATOM 0 HB2 LEU A 74 -43.778 -27.965 1.292 1.00 73.20 H new ATOM 0 HB3 LEU A 74 -44.597 -26.418 1.193 1.00 73.20 H new ATOM 0 HG LEU A 74 -43.667 -26.553 -1.330 1.00 0.44 H new ATOM 0 HD11 LEU A 74 -43.921 -28.857 -2.162 1.00 61.55 H new ATOM 0 HD12 LEU A 74 -42.574 -28.716 -1.009 1.00 61.55 H new ATOM 0 HD13 LEU A 74 -44.117 -29.435 -0.491 1.00 61.55 H new ATOM 0 HD21 LEU A 74 -45.896 -27.397 -1.960 1.00 10.31 H new ATOM 0 HD22 LEU A 74 -46.170 -27.916 -0.280 1.00 10.31 H new ATOM 0 HD23 LEU A 74 -45.992 -26.186 -0.659 1.00 10.31 H new ATOM 965 N ALA A 75 -41.167 -25.803 -0.993 1.00 22.42 N ATOM 966 CA ALA A 75 -40.211 -26.074 -2.060 1.00 10.24 C ATOM 967 C ALA A 75 -38.777 -25.935 -1.561 1.00 72.12 C ATOM 968 O ALA A 75 -37.866 -26.588 -2.071 1.00 42.43 O ATOM 969 CB ALA A 75 -40.455 -25.140 -3.236 1.00 23.02 C ATOM 0 H ALA A 75 -41.581 -24.871 -1.024 1.00 22.42 H new ATOM 0 HA ALA A 75 -40.355 -27.103 -2.390 1.00 10.24 H new ATOM 0 HB1 ALA A 75 -39.734 -25.353 -4.026 1.00 23.02 H new ATOM 0 HB2 ALA A 75 -41.465 -25.290 -3.617 1.00 23.02 H new ATOM 0 HB3 ALA A 75 -40.340 -24.106 -2.910 1.00 23.02 H new ATOM 975 N ASP A 76 -38.583 -25.081 -0.562 1.00 51.14 N ATOM 976 CA ASP A 76 -37.259 -24.857 0.006 1.00 20.41 C ATOM 977 C ASP A 76 -36.660 -26.163 0.520 1.00 62.22 C ATOM 978 O ASP A 76 -35.472 -26.426 0.335 1.00 32.01 O ATOM 979 CB ASP A 76 -37.334 -23.836 1.142 1.00 23.04 C ATOM 980 CG ASP A 76 -35.989 -23.605 1.802 1.00 14.32 C ATOM 981 OD1 ASP A 76 -35.223 -22.752 1.307 1.00 61.35 O ATOM 982 OD2 ASP A 76 -35.703 -24.276 2.816 1.00 54.30 O ATOM 0 H ASP A 76 -39.326 -24.533 -0.129 1.00 51.14 H new ATOM 0 HA ASP A 76 -36.615 -24.467 -0.782 1.00 20.41 H new ATOM 0 HB2 ASP A 76 -37.712 -22.891 0.753 1.00 23.04 H new ATOM 0 HB3 ASP A 76 -38.048 -24.181 1.890 1.00 23.04 H new ATOM 986 N GLN A 77 -37.491 -26.976 1.164 1.00 41.42 N ATOM 987 CA GLN A 77 -37.042 -28.254 1.705 1.00 64.03 C ATOM 988 C GLN A 77 -37.012 -29.324 0.619 1.00 55.24 C ATOM 989 O GLN A 77 -36.088 -30.135 0.560 1.00 63.22 O ATOM 990 CB GLN A 77 -37.957 -28.697 2.849 1.00 24.12 C ATOM 991 CG GLN A 77 -38.361 -27.563 3.778 1.00 4.22 C ATOM 992 CD GLN A 77 -38.215 -27.929 5.241 1.00 13.35 C ATOM 993 OE1 GLN A 77 -38.680 -28.980 5.681 1.00 64.14 O ATOM 994 NE2 GLN A 77 -37.568 -27.058 6.008 1.00 64.21 N ATOM 0 H GLN A 77 -38.478 -26.773 1.324 1.00 41.42 H new ATOM 0 HA GLN A 77 -36.030 -28.123 2.088 1.00 64.03 H new ATOM 0 HB2 GLN A 77 -38.855 -29.150 2.430 1.00 24.12 H new ATOM 0 HB3 GLN A 77 -37.452 -29.469 3.430 1.00 24.12 H new ATOM 0 HG2 GLN A 77 -37.749 -26.687 3.564 1.00 4.22 H new ATOM 0 HG3 GLN A 77 -39.396 -27.286 3.578 1.00 4.22 H new ATOM 0 HE21 GLN A 77 -37.198 -26.198 5.603 1.00 64.21 H new ATOM 0 HE22 GLN A 77 -37.441 -27.249 7.002 1.00 64.21 H new ATOM 1001 N ALA A 78 -38.029 -29.321 -0.237 1.00 24.30 N ATOM 1002 CA ALA A 78 -38.117 -30.291 -1.321 1.00 21.22 C ATOM 1003 C ALA A 78 -36.759 -30.503 -1.981 1.00 43.00 C ATOM 1004 O ALA A 78 -36.443 -31.602 -2.434 1.00 73.34 O ATOM 1005 CB ALA A 78 -39.141 -29.838 -2.352 1.00 54.45 C ATOM 0 H ALA A 78 -38.803 -28.658 -0.200 1.00 24.30 H new ATOM 0 HA ALA A 78 -38.438 -31.243 -0.898 1.00 21.22 H new ATOM 0 HB1 ALA A 78 -39.197 -30.572 -3.156 1.00 54.45 H new ATOM 0 HB2 ALA A 78 -40.118 -29.745 -1.878 1.00 54.45 H new ATOM 0 HB3 ALA A 78 -38.843 -28.873 -2.761 1.00 54.45 H new ATOM 1011 N ARG A 79 -35.959 -29.442 -2.031 1.00 22.40 N ATOM 1012 CA ARG A 79 -34.635 -29.512 -2.638 1.00 21.31 C ATOM 1013 C ARG A 79 -33.655 -30.240 -1.721 1.00 2.25 C ATOM 1014 O ARG A 79 -33.110 -31.284 -2.082 1.00 14.44 O ATOM 1015 CB ARG A 79 -34.115 -28.107 -2.943 1.00 0.22 C ATOM 1016 CG ARG A 79 -35.030 -27.304 -3.855 1.00 73.41 C ATOM 1017 CD ARG A 79 -34.497 -25.898 -4.081 1.00 34.04 C ATOM 1018 NE ARG A 79 -35.540 -24.986 -4.545 1.00 72.52 N ATOM 1019 CZ ARG A 79 -35.327 -23.701 -4.809 1.00 44.03 C ATOM 1020 NH1 ARG A 79 -34.118 -23.180 -4.656 1.00 60.34 N ATOM 1021 NH2 ARG A 79 -36.327 -22.935 -5.229 1.00 32.40 N ATOM 0 H ARG A 79 -36.205 -28.525 -1.659 1.00 22.40 H new ATOM 0 HA ARG A 79 -34.719 -30.071 -3.570 1.00 21.31 H new ATOM 0 HB2 ARG A 79 -33.984 -27.566 -2.006 1.00 0.22 H new ATOM 0 HB3 ARG A 79 -33.132 -28.185 -3.406 1.00 0.22 H new ATOM 0 HG2 ARG A 79 -35.130 -27.815 -4.813 1.00 73.41 H new ATOM 0 HG3 ARG A 79 -36.027 -27.250 -3.417 1.00 73.41 H new ATOM 0 HD2 ARG A 79 -34.070 -25.518 -3.153 1.00 34.04 H new ATOM 0 HD3 ARG A 79 -33.690 -25.929 -4.813 1.00 34.04 H new ATOM 0 HE ARG A 79 -36.482 -25.355 -4.673 1.00 72.52 H new ATOM 0 HH11 ARG A 79 -33.347 -23.766 -4.335 1.00 60.34 H new ATOM 0 HH12 ARG A 79 -33.958 -22.193 -4.860 1.00 60.34 H new ATOM 0 HH21 ARG A 79 -37.259 -23.333 -5.349 1.00 32.40 H new ATOM 0 HH22 ARG A 79 -36.164 -21.949 -5.432 1.00 32.40 H new ATOM 1032 N ASP A 80 -33.436 -29.682 -0.536 1.00 1.24 N ATOM 1033 CA ASP A 80 -32.523 -30.277 0.433 1.00 54.15 C ATOM 1034 C ASP A 80 -33.145 -31.511 1.079 1.00 40.31 C ATOM 1035 O ASP A 80 -32.547 -32.587 1.090 1.00 75.41 O ATOM 1036 CB ASP A 80 -32.150 -29.256 1.508 1.00 71.30 C ATOM 1037 CG ASP A 80 -31.068 -28.298 1.048 1.00 71.45 C ATOM 1038 OD1 ASP A 80 -30.632 -28.413 -0.117 1.00 43.10 O ATOM 1039 OD2 ASP A 80 -30.658 -27.436 1.852 1.00 51.21 O ATOM 0 H ASP A 80 -33.878 -28.818 -0.223 1.00 1.24 H new ATOM 0 HA ASP A 80 -31.620 -30.582 -0.095 1.00 54.15 H new ATOM 0 HB2 ASP A 80 -33.037 -28.689 1.789 1.00 71.30 H new ATOM 0 HB3 ASP A 80 -31.811 -29.781 2.401 1.00 71.30 H new ATOM 1043 N TYR A 81 -34.348 -31.348 1.616 1.00 54.43 N ATOM 1044 CA TYR A 81 -35.051 -32.447 2.268 1.00 74.44 C ATOM 1045 C TYR A 81 -34.921 -33.732 1.457 1.00 74.43 C ATOM 1046 O TYR A 81 -34.307 -34.701 1.903 1.00 61.34 O ATOM 1047 CB TYR A 81 -36.528 -32.096 2.457 1.00 43.25 C ATOM 1048 CG TYR A 81 -37.186 -32.839 3.599 1.00 24.51 C ATOM 1049 CD1 TYR A 81 -36.569 -32.931 4.840 1.00 65.21 C ATOM 1050 CD2 TYR A 81 -38.424 -33.447 3.436 1.00 42.12 C ATOM 1051 CE1 TYR A 81 -37.165 -33.609 5.885 1.00 41.20 C ATOM 1052 CE2 TYR A 81 -39.029 -34.125 4.476 1.00 42.40 C ATOM 1053 CZ TYR A 81 -38.395 -34.203 5.698 1.00 52.33 C ATOM 1054 OH TYR A 81 -38.994 -34.879 6.738 1.00 22.44 O ATOM 0 H TYR A 81 -34.858 -30.465 1.613 1.00 54.43 H new ATOM 0 HA TYR A 81 -34.596 -32.607 3.245 1.00 74.44 H new ATOM 0 HB2 TYR A 81 -36.618 -31.024 2.632 1.00 43.25 H new ATOM 0 HB3 TYR A 81 -37.066 -32.315 1.534 1.00 43.25 H new ATOM 0 HD1 TYR A 81 -35.607 -32.464 4.990 1.00 65.21 H new ATOM 0 HD2 TYR A 81 -38.922 -33.389 2.480 1.00 42.12 H new ATOM 0 HE1 TYR A 81 -36.671 -33.674 6.843 1.00 41.20 H new ATOM 0 HE2 TYR A 81 -39.993 -34.591 4.333 1.00 42.40 H new ATOM 0 HH TYR A 81 -39.856 -35.238 6.441 1.00 22.44 H new ATOM 1063 N MET A 82 -35.505 -33.733 0.263 1.00 12.43 N ATOM 1064 CA MET A 82 -35.453 -34.898 -0.613 1.00 13.51 C ATOM 1065 C MET A 82 -34.039 -35.465 -0.680 1.00 43.22 C ATOM 1066 O MET A 82 -33.849 -36.678 -0.763 1.00 2.53 O ATOM 1067 CB MET A 82 -35.936 -34.530 -2.017 1.00 1.14 C ATOM 1068 CG MET A 82 -34.851 -33.926 -2.894 1.00 34.44 C ATOM 1069 SD MET A 82 -35.423 -33.577 -4.566 1.00 4.20 S ATOM 1070 CE MET A 82 -34.915 -35.070 -5.417 1.00 21.33 C ATOM 0 H MET A 82 -36.020 -32.940 -0.120 1.00 12.43 H new ATOM 0 HA MET A 82 -36.112 -35.662 -0.200 1.00 13.51 H new ATOM 0 HB2 MET A 82 -36.329 -35.423 -2.503 1.00 1.14 H new ATOM 0 HB3 MET A 82 -36.761 -33.822 -1.935 1.00 1.14 H new ATOM 0 HG2 MET A 82 -34.492 -33.004 -2.437 1.00 34.44 H new ATOM 0 HG3 MET A 82 -34.004 -34.610 -2.940 1.00 34.44 H new ATOM 0 HE1 MET A 82 -35.200 -35.005 -6.467 1.00 21.33 H new ATOM 0 HE2 MET A 82 -33.833 -35.182 -5.341 1.00 21.33 H new ATOM 0 HE3 MET A 82 -35.402 -35.932 -4.961 1.00 21.33 H new ATOM 1078 N GLY A 83 -33.048 -34.579 -0.646 1.00 13.44 N ATOM 1079 CA GLY A 83 -31.665 -35.011 -0.706 1.00 35.41 C ATOM 1080 C GLY A 83 -31.202 -35.653 0.587 1.00 33.02 C ATOM 1081 O GLY A 83 -30.819 -36.823 0.605 1.00 1.31 O ATOM 0 H GLY A 83 -33.179 -33.570 -0.578 1.00 13.44 H new ATOM 0 HA2 GLY A 83 -31.544 -35.721 -1.524 1.00 35.41 H new ATOM 0 HA3 GLY A 83 -31.029 -34.155 -0.931 1.00 35.41 H new ATOM 1084 N ALA A 84 -31.234 -34.886 1.672 1.00 72.42 N ATOM 1085 CA ALA A 84 -30.815 -35.387 2.975 1.00 72.43 C ATOM 1086 C ALA A 84 -31.538 -36.684 3.323 1.00 42.32 C ATOM 1087 O ALA A 84 -31.071 -37.463 4.153 1.00 63.53 O ATOM 1088 CB ALA A 84 -31.064 -34.338 4.048 1.00 35.52 C ATOM 0 H ALA A 84 -31.546 -33.915 1.674 1.00 72.42 H new ATOM 0 HA ALA A 84 -29.747 -35.598 2.929 1.00 72.43 H new ATOM 0 HB1 ALA A 84 -30.747 -34.725 5.016 1.00 35.52 H new ATOM 0 HB2 ALA A 84 -30.497 -33.437 3.814 1.00 35.52 H new ATOM 0 HB3 ALA A 84 -32.127 -34.099 4.084 1.00 35.52 H new ATOM 1094 N ALA A 85 -32.681 -36.909 2.683 1.00 32.33 N ATOM 1095 CA ALA A 85 -33.467 -38.112 2.924 1.00 14.11 C ATOM 1096 C ALA A 85 -32.963 -39.276 2.078 1.00 30.11 C ATOM 1097 O ALA A 85 -32.302 -40.184 2.583 1.00 4.15 O ATOM 1098 CB ALA A 85 -34.939 -37.847 2.638 1.00 23.42 C ATOM 0 H ALA A 85 -33.083 -36.274 1.994 1.00 32.33 H new ATOM 0 HA ALA A 85 -33.355 -38.385 3.973 1.00 14.11 H new ATOM 0 HB1 ALA A 85 -35.514 -38.754 2.822 1.00 23.42 H new ATOM 0 HB2 ALA A 85 -35.299 -37.051 3.290 1.00 23.42 H new ATOM 0 HB3 ALA A 85 -35.059 -37.546 1.597 1.00 23.42 H new ATOM 1104 N LYS A 86 -33.280 -39.245 0.788 1.00 13.34 N ATOM 1105 CA LYS A 86 -32.860 -40.297 -0.129 1.00 22.32 C ATOM 1106 C LYS A 86 -31.364 -40.568 0.002 1.00 10.32 C ATOM 1107 O LYS A 86 -30.922 -41.714 -0.079 1.00 2.02 O ATOM 1108 CB LYS A 86 -33.193 -39.908 -1.571 1.00 4.15 C ATOM 1109 CG LYS A 86 -33.024 -41.045 -2.563 1.00 61.05 C ATOM 1110 CD LYS A 86 -31.719 -40.925 -3.332 1.00 73.43 C ATOM 1111 CE LYS A 86 -31.731 -41.783 -4.588 1.00 1.04 C ATOM 1112 NZ LYS A 86 -32.817 -41.381 -5.524 1.00 1.43 N ATOM 0 H LYS A 86 -33.827 -38.502 0.354 1.00 13.34 H new ATOM 0 HA LYS A 86 -33.401 -41.207 0.130 1.00 22.32 H new ATOM 0 HB2 LYS A 86 -34.222 -39.550 -1.613 1.00 4.15 H new ATOM 0 HB3 LYS A 86 -32.554 -39.077 -1.871 1.00 4.15 H new ATOM 0 HG2 LYS A 86 -33.049 -41.998 -2.034 1.00 61.05 H new ATOM 0 HG3 LYS A 86 -33.860 -41.047 -3.262 1.00 61.05 H new ATOM 0 HD2 LYS A 86 -31.550 -39.883 -3.604 1.00 73.43 H new ATOM 0 HD3 LYS A 86 -30.889 -41.226 -2.692 1.00 73.43 H new ATOM 0 HE2 LYS A 86 -30.768 -41.702 -5.093 1.00 1.04 H new ATOM 0 HE3 LYS A 86 -31.859 -42.830 -4.312 1.00 1.04 H new ATOM 0 HZ1 LYS A 86 -32.567 -41.672 -6.491 1.00 1.43 H new ATOM 0 HZ2 LYS A 86 -33.706 -41.841 -5.242 1.00 1.43 H new ATOM 0 HZ3 LYS A 86 -32.937 -40.348 -5.493 1.00 1.43 H new ATOM 1122 N SER A 87 -30.591 -39.506 0.208 1.00 64.33 N ATOM 1123 CA SER A 87 -29.146 -39.630 0.349 1.00 64.51 C ATOM 1124 C SER A 87 -28.783 -40.314 1.664 1.00 50.44 C ATOM 1125 O SER A 87 -28.271 -41.434 1.674 1.00 71.12 O ATOM 1126 CB SER A 87 -28.485 -38.252 0.280 1.00 13.43 C ATOM 1127 OG SER A 87 -27.159 -38.345 -0.210 1.00 11.43 O ATOM 0 H SER A 87 -30.942 -38.551 0.281 1.00 64.33 H new ATOM 0 HA SER A 87 -28.779 -40.244 -0.473 1.00 64.51 H new ATOM 0 HB2 SER A 87 -29.069 -37.597 -0.366 1.00 13.43 H new ATOM 0 HB3 SER A 87 -28.479 -37.799 1.271 1.00 13.43 H new ATOM 0 HG SER A 87 -26.760 -37.451 -0.246 1.00 11.43 H new ATOM 1132 N LYS A 88 -29.055 -39.633 2.772 1.00 64.24 N ATOM 1133 CA LYS A 88 -28.760 -40.174 4.094 1.00 73.02 C ATOM 1134 C LYS A 88 -29.529 -41.470 4.336 1.00 3.22 C ATOM 1135 O LYS A 88 -28.941 -42.497 4.675 1.00 54.54 O ATOM 1136 CB LYS A 88 -29.112 -39.150 5.176 1.00 54.44 C ATOM 1137 CG LYS A 88 -28.208 -39.216 6.394 1.00 61.53 C ATOM 1138 CD LYS A 88 -29.007 -39.174 7.685 1.00 2.23 C ATOM 1139 CE LYS A 88 -29.290 -40.571 8.213 1.00 53.43 C ATOM 1140 NZ LYS A 88 -29.291 -40.614 9.701 1.00 2.23 N ATOM 0 H LYS A 88 -29.479 -38.705 2.781 1.00 64.24 H new ATOM 0 HA LYS A 88 -27.693 -40.391 4.141 1.00 73.02 H new ATOM 0 HB2 LYS A 88 -29.058 -38.149 4.748 1.00 54.44 H new ATOM 0 HB3 LYS A 88 -30.144 -39.307 5.491 1.00 54.44 H new ATOM 0 HG2 LYS A 88 -27.617 -40.131 6.360 1.00 61.53 H new ATOM 0 HG3 LYS A 88 -27.506 -38.383 6.373 1.00 61.53 H new ATOM 0 HD2 LYS A 88 -28.458 -38.605 8.435 1.00 2.23 H new ATOM 0 HD3 LYS A 88 -29.948 -38.651 7.514 1.00 2.23 H new ATOM 0 HE2 LYS A 88 -30.256 -40.911 7.840 1.00 53.43 H new ATOM 0 HE3 LYS A 88 -28.539 -41.262 7.831 1.00 53.43 H new ATOM 0 HZ1 LYS A 88 -29.488 -41.584 10.020 1.00 2.23 H new ATOM 0 HZ2 LYS A 88 -28.361 -40.314 10.058 1.00 2.23 H new ATOM 0 HZ3 LYS A 88 -30.025 -39.974 10.066 1.00 2.23 H new ATOM 1150 N LEU A 89 -30.844 -41.414 4.156 1.00 22.33 N ATOM 1151 CA LEU A 89 -31.692 -42.584 4.353 1.00 41.20 C ATOM 1152 C LEU A 89 -31.133 -43.794 3.613 1.00 23.53 C ATOM 1153 O LEU A 89 -30.903 -44.846 4.207 1.00 33.21 O ATOM 1154 CB LEU A 89 -33.116 -42.292 3.873 1.00 74.55 C ATOM 1155 CG LEU A 89 -34.182 -43.311 4.278 1.00 42.31 C ATOM 1156 CD1 LEU A 89 -35.467 -42.606 4.684 1.00 33.14 C ATOM 1157 CD2 LEU A 89 -34.445 -44.288 3.142 1.00 73.31 C ATOM 0 H LEU A 89 -31.346 -40.572 3.874 1.00 22.33 H new ATOM 0 HA LEU A 89 -31.712 -42.811 5.419 1.00 41.20 H new ATOM 0 HB2 LEU A 89 -33.413 -41.315 4.253 1.00 74.55 H new ATOM 0 HB3 LEU A 89 -33.104 -42.221 2.785 1.00 74.55 H new ATOM 0 HG LEU A 89 -33.812 -43.873 5.136 1.00 42.31 H new ATOM 0 HD11 LEU A 89 -36.214 -43.347 4.969 1.00 33.14 H new ATOM 0 HD12 LEU A 89 -35.269 -41.947 5.529 1.00 33.14 H new ATOM 0 HD13 LEU A 89 -35.840 -42.018 3.845 1.00 33.14 H new ATOM 0 HD21 LEU A 89 -35.206 -45.006 3.448 1.00 73.31 H new ATOM 0 HD22 LEU A 89 -34.793 -43.742 2.265 1.00 73.31 H new ATOM 0 HD23 LEU A 89 -33.524 -44.818 2.897 1.00 73.31 H new ATOM 1168 N ASN A 90 -30.912 -43.636 2.312 1.00 5.13 N ATOM 1169 CA ASN A 90 -30.376 -44.715 1.490 1.00 64.31 C ATOM 1170 C ASN A 90 -28.913 -44.983 1.830 1.00 32.13 C ATOM 1171 O ASN A 90 -28.494 -46.134 1.951 1.00 35.11 O ATOM 1172 CB ASN A 90 -30.512 -44.369 0.005 1.00 35.51 C ATOM 1173 CG ASN A 90 -30.620 -45.604 -0.868 1.00 31.22 C ATOM 1174 OD1 ASN A 90 -31.696 -46.187 -1.008 1.00 30.42 O ATOM 1175 ND2 ASN A 90 -29.502 -46.009 -1.462 1.00 12.32 N ATOM 0 H ASN A 90 -31.096 -42.771 1.804 1.00 5.13 H new ATOM 0 HA ASN A 90 -30.950 -45.618 1.700 1.00 64.31 H new ATOM 0 HB2 ASN A 90 -31.394 -43.746 -0.141 1.00 35.51 H new ATOM 0 HB3 ASN A 90 -29.650 -43.780 -0.309 1.00 35.51 H new ATOM 0 HD21 ASN A 90 -29.513 -46.834 -2.062 1.00 12.32 H new ATOM 0 HD22 ASN A 90 -28.633 -45.495 -1.318 1.00 12.32 H new ATOM 1181 N ASP A 91 -28.141 -43.912 1.982 1.00 54.35 N ATOM 1182 CA ASP A 91 -26.725 -44.030 2.310 1.00 74.24 C ATOM 1183 C ASP A 91 -26.538 -44.480 3.756 1.00 11.32 C ATOM 1184 O ASP A 91 -25.449 -44.897 4.150 1.00 14.32 O ATOM 1185 CB ASP A 91 -26.013 -42.696 2.081 1.00 63.05 C ATOM 1186 CG ASP A 91 -24.504 -42.827 2.147 1.00 1.33 C ATOM 1187 OD1 ASP A 91 -23.894 -43.185 1.118 1.00 3.03 O ATOM 1188 OD2 ASP A 91 -23.934 -42.570 3.227 1.00 40.41 O ATOM 0 H ASP A 91 -28.472 -42.952 1.883 1.00 54.35 H new ATOM 0 HA ASP A 91 -26.287 -44.783 1.655 1.00 74.24 H new ATOM 0 HB2 ASP A 91 -26.298 -42.298 1.107 1.00 63.05 H new ATOM 0 HB3 ASP A 91 -26.346 -41.977 2.829 1.00 63.05 H new ATOM 1192 N ALA A 92 -27.607 -44.389 4.541 1.00 60.42 N ATOM 1193 CA ALA A 92 -27.560 -44.786 5.943 1.00 10.42 C ATOM 1194 C ALA A 92 -28.303 -46.099 6.167 1.00 63.43 C ATOM 1195 O ALA A 92 -28.029 -46.824 7.123 1.00 21.33 O ATOM 1196 CB ALA A 92 -28.145 -43.691 6.822 1.00 23.24 C ATOM 0 H ALA A 92 -28.515 -44.044 4.230 1.00 60.42 H new ATOM 0 HA ALA A 92 -26.516 -44.938 6.217 1.00 10.42 H new ATOM 0 HB1 ALA A 92 -28.103 -44.001 7.866 1.00 23.24 H new ATOM 0 HB2 ALA A 92 -27.570 -42.774 6.693 1.00 23.24 H new ATOM 0 HB3 ALA A 92 -29.182 -43.512 6.538 1.00 23.24 H new ATOM 1202 N VAL A 93 -29.245 -46.400 5.278 1.00 31.13 N ATOM 1203 CA VAL A 93 -30.027 -47.626 5.379 1.00 63.21 C ATOM 1204 C VAL A 93 -29.593 -48.641 4.327 1.00 73.44 C ATOM 1205 O VAL A 93 -29.575 -49.845 4.584 1.00 33.11 O ATOM 1206 CB VAL A 93 -31.533 -47.345 5.215 1.00 71.32 C ATOM 1207 CG1 VAL A 93 -31.936 -47.431 3.751 1.00 50.33 C ATOM 1208 CG2 VAL A 93 -32.348 -48.313 6.059 1.00 12.30 C ATOM 0 H VAL A 93 -29.485 -45.811 4.480 1.00 31.13 H new ATOM 0 HA VAL A 93 -29.848 -48.037 6.373 1.00 63.21 H new ATOM 0 HB VAL A 93 -31.737 -46.333 5.563 1.00 71.32 H new ATOM 0 HG11 VAL A 93 -33.003 -47.230 3.655 1.00 50.33 H new ATOM 0 HG12 VAL A 93 -31.375 -46.695 3.175 1.00 50.33 H new ATOM 0 HG13 VAL A 93 -31.720 -48.430 3.372 1.00 50.33 H new ATOM 0 HG21 VAL A 93 -33.410 -48.101 5.932 1.00 12.30 H new ATOM 0 HG22 VAL A 93 -32.141 -49.335 5.742 1.00 12.30 H new ATOM 0 HG23 VAL A 93 -32.078 -48.197 7.109 1.00 12.30 H new ATOM 1218 N GLU A 94 -29.244 -48.148 3.143 1.00 54.53 N ATOM 1219 CA GLU A 94 -28.811 -49.014 2.053 1.00 74.20 C ATOM 1220 C GLU A 94 -27.293 -49.174 2.057 1.00 44.13 C ATOM 1221 O GLU A 94 -26.770 -50.234 1.713 1.00 23.21 O ATOM 1222 CB GLU A 94 -29.272 -48.449 0.709 1.00 44.53 C ATOM 1223 CG GLU A 94 -29.671 -49.517 -0.296 1.00 20.12 C ATOM 1224 CD GLU A 94 -31.025 -49.250 -0.924 1.00 1.01 C ATOM 1225 OE1 GLU A 94 -32.033 -49.256 -0.187 1.00 4.05 O ATOM 1226 OE2 GLU A 94 -31.077 -49.036 -2.153 1.00 64.44 O ATOM 0 H GLU A 94 -29.253 -47.154 2.914 1.00 54.53 H new ATOM 0 HA GLU A 94 -29.263 -49.995 2.200 1.00 74.20 H new ATOM 0 HB2 GLU A 94 -30.119 -47.784 0.875 1.00 44.53 H new ATOM 0 HB3 GLU A 94 -28.471 -47.844 0.285 1.00 44.53 H new ATOM 0 HG2 GLU A 94 -28.916 -49.573 -1.080 1.00 20.12 H new ATOM 0 HG3 GLU A 94 -29.689 -50.488 0.199 1.00 20.12 H new ATOM 1231 N TYR A 95 -26.594 -48.114 2.446 1.00 63.34 N ATOM 1232 CA TYR A 95 -25.136 -48.136 2.491 1.00 11.22 C ATOM 1233 C TYR A 95 -24.640 -48.573 3.866 1.00 15.23 C ATOM 1234 O TYR A 95 -23.663 -49.313 3.980 1.00 40.14 O ATOM 1235 CB TYR A 95 -24.575 -46.755 2.149 1.00 14.23 C ATOM 1236 CG TYR A 95 -23.116 -46.587 2.512 1.00 50.33 C ATOM 1237 CD1 TYR A 95 -22.739 -46.186 3.787 1.00 33.21 C ATOM 1238 CD2 TYR A 95 -22.116 -46.829 1.579 1.00 45.35 C ATOM 1239 CE1 TYR A 95 -21.408 -46.031 4.123 1.00 11.41 C ATOM 1240 CE2 TYR A 95 -20.782 -46.677 1.906 1.00 73.23 C ATOM 1241 CZ TYR A 95 -20.433 -46.278 3.179 1.00 54.23 C ATOM 1242 OH TYR A 95 -19.107 -46.125 3.509 1.00 63.41 O ATOM 0 H TYR A 95 -27.012 -47.230 2.734 1.00 63.34 H new ATOM 0 HA TYR A 95 -24.785 -48.857 1.753 1.00 11.22 H new ATOM 0 HB2 TYR A 95 -24.698 -46.577 1.081 1.00 14.23 H new ATOM 0 HB3 TYR A 95 -25.160 -45.996 2.668 1.00 14.23 H new ATOM 0 HD1 TYR A 95 -23.500 -45.992 4.529 1.00 33.21 H new ATOM 0 HD2 TYR A 95 -22.386 -47.141 0.581 1.00 45.35 H new ATOM 0 HE1 TYR A 95 -21.132 -45.718 5.119 1.00 11.41 H new ATOM 0 HE2 TYR A 95 -20.017 -46.870 1.169 1.00 73.23 H new ATOM 0 HH TYR A 95 -18.550 -46.339 2.732 1.00 63.41 H new ATOM 1251 N VAL A 96 -25.321 -48.108 4.909 1.00 53.02 N ATOM 1252 CA VAL A 96 -24.952 -48.451 6.277 1.00 0.11 C ATOM 1253 C VAL A 96 -25.693 -49.697 6.750 1.00 31.10 C ATOM 1254 O VAL A 96 -25.076 -50.702 7.102 1.00 21.31 O ATOM 1255 CB VAL A 96 -25.250 -47.291 7.246 1.00 73.11 C ATOM 1256 CG1 VAL A 96 -25.713 -47.825 8.592 1.00 74.24 C ATOM 1257 CG2 VAL A 96 -24.024 -46.405 7.409 1.00 5.30 C ATOM 0 H VAL A 96 -26.131 -47.493 4.832 1.00 53.02 H new ATOM 0 HA VAL A 96 -23.880 -48.648 6.276 1.00 0.11 H new ATOM 0 HB VAL A 96 -26.054 -46.687 6.825 1.00 73.11 H new ATOM 0 HG11 VAL A 96 -25.919 -46.991 9.263 1.00 74.24 H new ATOM 0 HG12 VAL A 96 -26.620 -48.414 8.457 1.00 74.24 H new ATOM 0 HG13 VAL A 96 -24.933 -48.453 9.022 1.00 74.24 H new ATOM 0 HG21 VAL A 96 -24.252 -45.591 8.097 1.00 5.30 H new ATOM 0 HG22 VAL A 96 -23.199 -46.995 7.807 1.00 5.30 H new ATOM 0 HG23 VAL A 96 -23.741 -45.993 6.440 1.00 5.30 H new ATOM 1267 N SER A 97 -27.020 -49.623 6.756 1.00 64.02 N ATOM 1268 CA SER A 97 -27.845 -50.744 7.188 1.00 73.22 C ATOM 1269 C SER A 97 -27.879 -51.837 6.125 1.00 62.21 C ATOM 1270 O SER A 97 -28.237 -52.981 6.404 1.00 3.11 O ATOM 1271 CB SER A 97 -29.268 -50.270 7.494 1.00 33.34 C ATOM 1272 OG SER A 97 -29.810 -50.966 8.603 1.00 61.24 O ATOM 0 H SER A 97 -27.546 -48.799 6.467 1.00 64.02 H new ATOM 0 HA SER A 97 -27.404 -51.158 8.095 1.00 73.22 H new ATOM 0 HB2 SER A 97 -29.262 -49.200 7.700 1.00 33.34 H new ATOM 0 HB3 SER A 97 -29.901 -50.423 6.620 1.00 33.34 H new ATOM 0 HG SER A 97 -30.719 -50.644 8.779 1.00 61.24 H new ATOM 1277 N GLY A 98 -27.503 -51.475 4.902 1.00 40.31 N ATOM 1278 CA GLY A 98 -27.498 -52.435 3.812 1.00 33.52 C ATOM 1279 C GLY A 98 -26.189 -53.194 3.715 1.00 73.32 C ATOM 1280 O GLY A 98 -26.128 -54.264 3.110 1.00 74.00 O ATOM 0 H GLY A 98 -27.202 -50.535 4.646 1.00 40.31 H new ATOM 0 HA2 GLY A 98 -28.315 -53.143 3.951 1.00 33.52 H new ATOM 0 HA3 GLY A 98 -27.683 -51.915 2.872 1.00 33.52 H new ATOM 1283 N ARG A 99 -25.139 -52.639 4.312 1.00 2.32 N ATOM 1284 CA ARG A 99 -23.824 -53.269 4.287 1.00 4.34 C ATOM 1285 C ARG A 99 -23.667 -54.245 5.450 1.00 4.54 C ATOM 1286 O ARG A 99 -23.354 -55.418 5.251 1.00 43.15 O ATOM 1287 CB ARG A 99 -22.725 -52.207 4.346 1.00 14.45 C ATOM 1288 CG ARG A 99 -22.226 -51.769 2.979 1.00 51.30 C ATOM 1289 CD ARG A 99 -20.902 -52.431 2.631 1.00 1.40 C ATOM 1290 NE ARG A 99 -20.957 -53.123 1.346 1.00 15.10 N ATOM 1291 CZ ARG A 99 -19.912 -53.727 0.792 1.00 42.24 C ATOM 1292 NH1 ARG A 99 -18.738 -53.725 1.406 1.00 31.43 N ATOM 1293 NH2 ARG A 99 -20.042 -54.337 -0.380 1.00 24.13 N ATOM 0 H ARG A 99 -25.173 -51.754 4.819 1.00 2.32 H new ATOM 0 HA ARG A 99 -23.732 -53.825 3.354 1.00 4.34 H new ATOM 0 HB2 ARG A 99 -23.102 -51.336 4.882 1.00 14.45 H new ATOM 0 HB3 ARG A 99 -21.886 -52.597 4.922 1.00 14.45 H new ATOM 0 HG2 ARG A 99 -22.969 -52.019 2.222 1.00 51.30 H new ATOM 0 HG3 ARG A 99 -22.107 -50.686 2.964 1.00 51.30 H new ATOM 0 HD2 ARG A 99 -20.116 -51.677 2.603 1.00 1.40 H new ATOM 0 HD3 ARG A 99 -20.635 -53.141 3.414 1.00 1.40 H new ATOM 0 HE ARG A 99 -21.846 -53.144 0.847 1.00 15.10 H new ATOM 0 HH11 ARG A 99 -18.635 -53.259 2.307 1.00 31.43 H new ATOM 0 HH12 ARG A 99 -17.938 -54.190 0.978 1.00 31.43 H new ATOM 0 HH21 ARG A 99 -20.945 -54.342 -0.855 1.00 24.13 H new ATOM 0 HH22 ARG A 99 -19.239 -54.801 -0.805 1.00 24.13 H new ATOM 1304 N VAL A 100 -23.887 -53.750 6.664 1.00 41.43 N ATOM 1305 CA VAL A 100 -23.771 -54.578 7.859 1.00 22.13 C ATOM 1306 C VAL A 100 -24.727 -55.764 7.800 1.00 33.51 C ATOM 1307 O VAL A 100 -24.430 -56.841 8.321 1.00 50.31 O ATOM 1308 CB VAL A 100 -24.057 -53.764 9.135 1.00 74.14 C ATOM 1309 CG1 VAL A 100 -23.857 -54.626 10.373 1.00 13.13 C ATOM 1310 CG2 VAL A 100 -23.174 -52.528 9.187 1.00 31.22 C ATOM 0 H VAL A 100 -24.146 -52.780 6.846 1.00 41.43 H new ATOM 0 HA VAL A 100 -22.745 -54.944 7.893 1.00 22.13 H new ATOM 0 HB VAL A 100 -25.097 -53.438 9.113 1.00 74.14 H new ATOM 0 HG11 VAL A 100 -24.063 -54.035 11.265 1.00 13.13 H new ATOM 0 HG12 VAL A 100 -24.536 -55.478 10.337 1.00 13.13 H new ATOM 0 HG13 VAL A 100 -22.828 -54.984 10.405 1.00 13.13 H new ATOM 0 HG21 VAL A 100 -23.390 -51.965 10.095 1.00 31.22 H new ATOM 0 HG22 VAL A 100 -22.126 -52.829 9.187 1.00 31.22 H new ATOM 0 HG23 VAL A 100 -23.372 -51.903 8.317 1.00 31.22 H new ATOM 1320 N HIS A 101 -25.876 -55.561 7.163 1.00 63.24 N ATOM 1321 CA HIS A 101 -26.875 -56.616 7.035 1.00 40.31 C ATOM 1322 C HIS A 101 -26.368 -57.739 6.136 1.00 40.25 C ATOM 1323 O HIS A 101 -26.605 -58.917 6.403 1.00 14.01 O ATOM 1324 CB HIS A 101 -28.179 -56.046 6.474 1.00 65.33 C ATOM 1325 CG HIS A 101 -29.102 -55.514 7.525 1.00 73.20 C ATOM 1326 ND1 HIS A 101 -28.657 -54.878 8.665 1.00 34.13 N ATOM 1327 CD2 HIS A 101 -30.453 -55.524 7.606 1.00 63.15 C ATOM 1328 CE1 HIS A 101 -29.695 -54.522 9.402 1.00 73.25 C ATOM 1329 NE2 HIS A 101 -30.797 -54.903 8.780 1.00 15.23 N ATOM 0 H HIS A 101 -26.138 -54.676 6.728 1.00 63.24 H new ATOM 0 HA HIS A 101 -27.063 -57.027 8.027 1.00 40.31 H new ATOM 0 HB2 HIS A 101 -27.944 -55.247 5.771 1.00 65.33 H new ATOM 0 HB3 HIS A 101 -28.694 -56.825 5.911 1.00 65.33 H new ATOM 0 HD2 HIS A 101 -31.134 -55.943 6.881 1.00 63.15 H new ATOM 0 HE1 HIS A 101 -29.650 -54.008 10.351 1.00 73.25 H new ATOM 0 HE2 HIS A 101 -31.749 -54.759 9.118 1.00 15.23 H new