USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=13 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) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.0922 (180deg=-0.389) 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= -0.0124 K(o=-0.012,f=-0.54) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.275 K(o=-0.28,f=-3.1!) USER MOD Single : A 57 HIS : no HE2:sc= -0.886 K(o=-0.89,f=-4.2!) 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+ -156:sc= 0 (180deg=-0.00861) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.524 F(o=-4!,f=-0.52) USER MOD Single : A 77 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.4) 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 -23:sc= 0.131 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -3.31 X(o=-3.3,f=-3.6) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -140:sc= -1.26 USER MOD Single : A 101 HIS : no HD1:sc= -0.554 X(o=-0.55,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.425 31.617 17.847 1.00 50.55 N ATOM 281 CA LYS A 23 -6.636 31.033 17.284 1.00 10.30 C ATOM 282 C LYS A 23 -6.434 30.672 15.816 1.00 63.12 C ATOM 283 O LYS A 23 -6.295 29.499 15.469 1.00 62.40 O ATOM 284 CB LYS A 23 -7.809 32.007 17.424 1.00 52.21 C ATOM 285 CG LYS A 23 -7.393 33.467 17.391 1.00 0.03 C ATOM 286 CD LYS A 23 -8.454 34.334 16.732 1.00 12.40 C ATOM 287 CE LYS A 23 -9.751 34.328 17.527 1.00 32.44 C ATOM 288 NZ LYS A 23 -10.849 35.023 16.799 1.00 13.41 N ATOM 0 HA LYS A 23 -6.861 30.121 17.837 1.00 10.30 H new ATOM 0 HB2 LYS A 23 -8.522 31.823 16.620 1.00 52.21 H new ATOM 0 HB3 LYS A 23 -8.327 31.806 18.362 1.00 52.21 H new ATOM 0 HG2 LYS A 23 -7.214 33.818 18.407 1.00 0.03 H new ATOM 0 HG3 LYS A 23 -6.452 33.566 16.849 1.00 0.03 H new ATOM 0 HD2 LYS A 23 -8.086 35.356 16.642 1.00 12.40 H new ATOM 0 HD3 LYS A 23 -8.644 33.973 15.721 1.00 12.40 H new ATOM 0 HE2 LYS A 23 -10.046 33.299 17.734 1.00 32.44 H new ATOM 0 HE3 LYS A 23 -9.589 34.813 18.490 1.00 32.44 H new ATOM 0 HZ1 LYS A 23 -11.716 34.998 17.373 1.00 13.41 H new ATOM 0 HZ2 LYS A 23 -10.578 36.012 16.624 1.00 13.41 H new ATOM 0 HZ3 LYS A 23 -11.021 34.545 15.891 1.00 13.41 H new ATOM 298 N SER A 24 -6.418 31.688 14.958 1.00 73.25 N ATOM 299 CA SER A 24 -6.235 31.476 13.527 1.00 33.21 C ATOM 300 C SER A 24 -5.237 30.352 13.267 1.00 33.31 C ATOM 301 O SER A 24 -5.337 29.636 12.270 1.00 53.33 O ATOM 302 CB SER A 24 -5.755 32.764 12.856 1.00 5.43 C ATOM 303 OG SER A 24 -6.694 33.222 11.899 1.00 62.11 O ATOM 0 H SER A 24 -6.529 32.665 15.229 1.00 73.25 H new ATOM 0 HA SER A 24 -7.197 31.190 13.102 1.00 33.21 H new ATOM 0 HB2 SER A 24 -5.596 33.534 13.611 1.00 5.43 H new ATOM 0 HB3 SER A 24 -4.794 32.589 12.372 1.00 5.43 H new ATOM 0 HG SER A 24 -6.364 34.047 11.486 1.00 62.11 H new ATOM 308 N TYR A 25 -4.275 30.203 14.170 1.00 3.14 N ATOM 309 CA TYR A 25 -3.256 29.169 14.039 1.00 43.34 C ATOM 310 C TYR A 25 -3.764 27.833 14.573 1.00 70.35 C ATOM 311 O TYR A 25 -3.781 26.831 13.858 1.00 34.51 O ATOM 312 CB TYR A 25 -1.985 29.577 14.785 1.00 74.31 C ATOM 313 CG TYR A 25 -1.404 30.892 14.315 1.00 30.34 C ATOM 314 CD1 TYR A 25 -2.096 32.083 14.496 1.00 34.11 C ATOM 315 CD2 TYR A 25 -0.164 30.943 13.689 1.00 4.52 C ATOM 316 CE1 TYR A 25 -1.570 33.287 14.068 1.00 15.15 C ATOM 317 CE2 TYR A 25 0.370 32.142 13.259 1.00 3.01 C ATOM 318 CZ TYR A 25 -0.336 33.311 13.451 1.00 20.53 C ATOM 319 OH TYR A 25 0.192 34.507 13.023 1.00 13.23 O ATOM 0 H TYR A 25 -4.179 30.786 15.002 1.00 3.14 H new ATOM 0 HA TYR A 25 -3.027 29.054 12.980 1.00 43.34 H new ATOM 0 HB2 TYR A 25 -2.205 29.646 15.850 1.00 74.31 H new ATOM 0 HB3 TYR A 25 -1.236 28.794 14.665 1.00 74.31 H new ATOM 0 HD1 TYR A 25 -3.062 32.068 14.980 1.00 34.11 H new ATOM 0 HD2 TYR A 25 0.391 30.029 13.536 1.00 4.52 H new ATOM 0 HE1 TYR A 25 -2.121 34.204 14.216 1.00 15.15 H new ATOM 0 HE2 TYR A 25 1.335 32.164 12.775 1.00 3.01 H new ATOM 0 HH TYR A 25 1.067 34.349 12.611 1.00 13.23 H new ATOM 328 N ALA A 26 -4.179 27.826 15.836 1.00 73.12 N ATOM 329 CA ALA A 26 -4.691 26.616 16.466 1.00 73.03 C ATOM 330 C ALA A 26 -6.055 26.237 15.901 1.00 31.52 C ATOM 331 O ALA A 26 -6.282 25.089 15.520 1.00 63.44 O ATOM 332 CB ALA A 26 -4.775 26.800 17.973 1.00 52.40 C ATOM 0 H ALA A 26 -4.170 28.646 16.443 1.00 73.12 H new ATOM 0 HA ALA A 26 -3.998 25.803 16.248 1.00 73.03 H new ATOM 0 HB1 ALA A 26 -5.159 25.888 18.430 1.00 52.40 H new ATOM 0 HB2 ALA A 26 -3.782 27.014 18.369 1.00 52.40 H new ATOM 0 HB3 ALA A 26 -5.444 27.630 18.202 1.00 52.40 H new ATOM 338 N GLU A 27 -6.961 27.210 15.850 1.00 54.31 N ATOM 339 CA GLU A 27 -8.303 26.977 15.332 1.00 51.34 C ATOM 340 C GLU A 27 -8.252 26.235 14.000 1.00 31.22 C ATOM 341 O GLU A 27 -8.835 25.161 13.853 1.00 31.44 O ATOM 342 CB GLU A 27 -9.045 28.303 15.161 1.00 5.11 C ATOM 343 CG GLU A 27 -10.516 28.138 14.816 1.00 44.25 C ATOM 344 CD GLU A 27 -11.432 28.558 15.949 1.00 62.32 C ATOM 345 OE1 GLU A 27 -11.234 29.665 16.493 1.00 72.43 O ATOM 346 OE2 GLU A 27 -12.347 27.780 16.293 1.00 31.45 O ATOM 0 H GLU A 27 -6.789 28.166 16.161 1.00 54.31 H new ATOM 0 HA GLU A 27 -8.839 26.359 16.052 1.00 51.34 H new ATOM 0 HB2 GLU A 27 -8.959 28.879 16.082 1.00 5.11 H new ATOM 0 HB3 GLU A 27 -8.559 28.883 14.376 1.00 5.11 H new ATOM 0 HG2 GLU A 27 -10.746 28.729 13.930 1.00 44.25 H new ATOM 0 HG3 GLU A 27 -10.711 27.096 14.563 1.00 44.25 H new ATOM 351 N GLN A 28 -7.550 26.816 13.032 1.00 21.01 N ATOM 352 CA GLN A 28 -7.424 26.212 11.712 1.00 14.23 C ATOM 353 C GLN A 28 -7.058 24.735 11.822 1.00 31.03 C ATOM 354 O GLN A 28 -7.541 23.907 11.051 1.00 30.30 O ATOM 355 CB GLN A 28 -6.367 26.951 10.888 1.00 15.21 C ATOM 356 CG GLN A 28 -6.952 27.838 9.803 1.00 24.51 C ATOM 357 CD GLN A 28 -6.080 27.899 8.565 1.00 74.43 C ATOM 358 OE1 GLN A 28 -5.180 28.734 8.465 1.00 53.44 O ATOM 359 NE2 GLN A 28 -6.341 27.012 7.611 1.00 21.21 N ATOM 0 H GLN A 28 -7.060 27.704 13.138 1.00 21.01 H new ATOM 0 HA GLN A 28 -8.388 26.293 11.210 1.00 14.23 H new ATOM 0 HB2 GLN A 28 -5.759 27.561 11.556 1.00 15.21 H new ATOM 0 HB3 GLN A 28 -5.701 26.221 10.429 1.00 15.21 H new ATOM 0 HG2 GLN A 28 -7.940 27.467 9.529 1.00 24.51 H new ATOM 0 HG3 GLN A 28 -7.088 28.845 10.197 1.00 24.51 H new ATOM 0 HE21 GLN A 28 -7.096 26.337 7.735 1.00 21.21 H new ATOM 0 HE22 GLN A 28 -5.786 27.006 6.755 1.00 21.21 H new ATOM 366 N GLY A 29 -6.201 24.412 12.786 1.00 23.34 N ATOM 367 CA GLY A 29 -5.785 23.036 12.979 1.00 44.34 C ATOM 368 C GLY A 29 -6.891 22.172 13.554 1.00 71.33 C ATOM 369 O GLY A 29 -7.141 21.067 13.071 1.00 72.31 O ATOM 0 H GLY A 29 -5.787 25.080 13.437 1.00 23.34 H new ATOM 0 HA2 GLY A 29 -5.462 22.620 12.025 1.00 44.34 H new ATOM 0 HA3 GLY A 29 -4.924 23.010 13.646 1.00 44.34 H new ATOM 372 N LYS A 30 -7.554 22.673 14.590 1.00 0.22 N ATOM 373 CA LYS A 30 -8.638 21.941 15.232 1.00 3.40 C ATOM 374 C LYS A 30 -9.808 21.747 14.272 1.00 50.42 C ATOM 375 O LYS A 30 -10.335 20.643 14.140 1.00 5.24 O ATOM 376 CB LYS A 30 -9.110 22.683 16.485 1.00 44.53 C ATOM 377 CG LYS A 30 -8.730 21.990 17.782 1.00 72.14 C ATOM 378 CD LYS A 30 -8.251 22.985 18.826 1.00 42.21 C ATOM 379 CE LYS A 30 -6.933 23.626 18.421 1.00 31.05 C ATOM 380 NZ LYS A 30 -5.962 23.660 19.550 1.00 42.01 N ATOM 0 H LYS A 30 -7.359 23.585 15.003 1.00 0.22 H new ATOM 0 HA LYS A 30 -8.260 20.960 15.519 1.00 3.40 H new ATOM 0 HB2 LYS A 30 -8.688 23.688 16.483 1.00 44.53 H new ATOM 0 HB3 LYS A 30 -10.194 22.793 16.445 1.00 44.53 H new ATOM 0 HG2 LYS A 30 -9.589 21.442 18.168 1.00 72.14 H new ATOM 0 HG3 LYS A 30 -7.946 21.258 17.588 1.00 72.14 H new ATOM 0 HD2 LYS A 30 -9.006 23.759 18.966 1.00 42.21 H new ATOM 0 HD3 LYS A 30 -8.132 22.480 19.784 1.00 42.21 H new ATOM 0 HE2 LYS A 30 -6.501 23.072 17.587 1.00 31.05 H new ATOM 0 HE3 LYS A 30 -7.116 24.641 18.069 1.00 31.05 H new ATOM 0 HZ1 LYS A 30 -5.013 23.879 19.185 1.00 42.01 H new ATOM 0 HZ2 LYS A 30 -6.248 24.391 20.232 1.00 42.01 H new ATOM 0 HZ3 LYS A 30 -5.946 22.733 20.022 1.00 42.01 H new ATOM 390 N GLU A 31 -10.205 22.825 13.606 1.00 33.21 N ATOM 391 CA GLU A 31 -11.312 22.771 12.657 1.00 54.22 C ATOM 392 C GLU A 31 -11.209 21.533 11.771 1.00 64.13 C ATOM 393 O GLU A 31 -12.221 20.948 11.383 1.00 10.13 O ATOM 394 CB GLU A 31 -11.330 24.032 11.790 1.00 64.54 C ATOM 395 CG GLU A 31 -11.612 25.304 12.571 1.00 53.21 C ATOM 396 CD GLU A 31 -13.093 25.615 12.668 1.00 1.21 C ATOM 397 OE1 GLU A 31 -13.889 24.667 12.833 1.00 3.12 O ATOM 398 OE2 GLU A 31 -13.455 26.806 12.579 1.00 24.43 O ATOM 0 H GLU A 31 -9.778 23.746 13.705 1.00 33.21 H new ATOM 0 HA GLU A 31 -12.241 22.714 13.224 1.00 54.22 H new ATOM 0 HB2 GLU A 31 -10.368 24.130 11.287 1.00 64.54 H new ATOM 0 HB3 GLU A 31 -12.086 23.918 11.013 1.00 64.54 H new ATOM 0 HG2 GLU A 31 -11.199 25.208 13.575 1.00 53.21 H new ATOM 0 HG3 GLU A 31 -11.100 26.140 12.094 1.00 53.21 H new ATOM 403 N TYR A 32 -9.981 21.139 11.455 1.00 15.31 N ATOM 404 CA TYR A 32 -9.745 19.972 10.614 1.00 61.33 C ATOM 405 C TYR A 32 -9.933 18.682 11.405 1.00 43.32 C ATOM 406 O TYR A 32 -10.484 17.704 10.898 1.00 41.53 O ATOM 407 CB TYR A 32 -8.335 20.020 10.022 1.00 73.21 C ATOM 408 CG TYR A 32 -7.951 18.767 9.269 1.00 50.33 C ATOM 409 CD1 TYR A 32 -7.759 17.564 9.937 1.00 41.44 C ATOM 410 CD2 TYR A 32 -7.780 18.785 7.891 1.00 42.13 C ATOM 411 CE1 TYR A 32 -7.407 16.415 9.254 1.00 12.24 C ATOM 412 CE2 TYR A 32 -7.430 17.641 7.199 1.00 31.24 C ATOM 413 CZ TYR A 32 -7.244 16.459 7.885 1.00 22.11 C ATOM 414 OH TYR A 32 -6.895 15.318 7.200 1.00 32.22 O ATOM 0 H TYR A 32 -9.133 21.611 11.769 1.00 15.31 H new ATOM 0 HA TYR A 32 -10.473 19.988 9.803 1.00 61.33 H new ATOM 0 HB2 TYR A 32 -8.261 20.875 9.350 1.00 73.21 H new ATOM 0 HB3 TYR A 32 -7.618 20.184 10.826 1.00 73.21 H new ATOM 0 HD1 TYR A 32 -7.887 17.526 11.009 1.00 41.44 H new ATOM 0 HD2 TYR A 32 -7.923 19.709 7.351 1.00 42.13 H new ATOM 0 HE1 TYR A 32 -7.260 15.488 9.789 1.00 12.24 H new ATOM 0 HE2 TYR A 32 -7.303 17.672 6.127 1.00 31.24 H new ATOM 0 HH TYR A 32 -6.822 15.520 6.244 1.00 32.22 H new ATOM 423 N ILE A 33 -9.471 18.687 12.651 1.00 63.21 N ATOM 424 CA ILE A 33 -9.589 17.519 13.515 1.00 73.43 C ATOM 425 C ILE A 33 -10.992 17.409 14.101 1.00 70.13 C ATOM 426 O ILE A 33 -11.700 16.427 13.869 1.00 13.24 O ATOM 427 CB ILE A 33 -8.566 17.563 14.665 1.00 72.11 C ATOM 428 CG1 ILE A 33 -7.192 17.103 14.173 1.00 70.41 C ATOM 429 CG2 ILE A 33 -9.037 16.700 15.825 1.00 52.34 C ATOM 430 CD1 ILE A 33 -6.563 18.045 13.171 1.00 70.22 C ATOM 0 H ILE A 33 -9.011 19.488 13.085 1.00 63.21 H new ATOM 0 HA ILE A 33 -9.387 16.646 12.894 1.00 73.43 H new ATOM 0 HB ILE A 33 -8.479 18.591 15.015 1.00 72.11 H new ATOM 0 HG12 ILE A 33 -6.525 16.998 15.029 1.00 70.41 H new ATOM 0 HG13 ILE A 33 -7.289 16.116 13.721 1.00 70.41 H new ATOM 0 HG21 ILE A 33 -8.304 16.741 16.630 1.00 52.34 H new ATOM 0 HG22 ILE A 33 -9.996 17.070 16.188 1.00 52.34 H new ATOM 0 HG23 ILE A 33 -9.150 15.669 15.489 1.00 52.34 H new ATOM 0 HD11 ILE A 33 -5.591 17.656 12.866 1.00 70.22 H new ATOM 0 HD12 ILE A 33 -7.209 18.132 12.298 1.00 70.22 H new ATOM 0 HD13 ILE A 33 -6.434 19.027 13.626 1.00 70.22 H new ATOM 441 N THR A 34 -11.392 18.423 14.861 1.00 12.24 N ATOM 442 CA THR A 34 -12.711 18.441 15.481 1.00 1.35 C ATOM 443 C THR A 34 -13.727 17.686 14.631 1.00 3.52 C ATOM 444 O THR A 34 -14.469 16.844 15.137 1.00 53.13 O ATOM 445 CB THR A 34 -13.210 19.882 15.699 1.00 32.01 C ATOM 446 OG1 THR A 34 -14.603 19.874 16.027 1.00 63.34 O ATOM 447 CG2 THR A 34 -12.980 20.728 14.455 1.00 44.04 C ATOM 0 H THR A 34 -10.821 19.244 15.062 1.00 12.24 H new ATOM 0 HA THR A 34 -12.613 17.949 16.449 1.00 1.35 H new ATOM 0 HB THR A 34 -12.647 20.318 16.524 1.00 32.01 H new ATOM 0 HG1 THR A 34 -14.912 20.794 16.165 1.00 63.34 H new ATOM 0 HG21 THR A 34 -13.340 21.741 14.632 1.00 44.04 H new ATOM 0 HG22 THR A 34 -11.915 20.756 14.226 1.00 44.04 H new ATOM 0 HG23 THR A 34 -13.520 20.293 13.614 1.00 44.04 H new ATOM 604 N PRO A 46 -12.278 -0.098 20.994 1.00 70.35 N ATOM 605 CA PRO A 46 -12.188 -1.463 20.465 1.00 43.02 C ATOM 606 C PRO A 46 -13.308 -2.360 20.982 1.00 4.12 C ATOM 607 O PRO A 46 -13.572 -3.423 20.422 1.00 35.53 O ATOM 608 CB PRO A 46 -10.831 -1.952 20.978 1.00 62.34 C ATOM 609 CG PRO A 46 -10.574 -1.143 22.202 1.00 61.44 C ATOM 610 CD PRO A 46 -11.198 0.202 21.948 1.00 75.22 C ATOM 0 HA PRO A 46 -12.283 -1.487 19.379 1.00 43.02 H new ATOM 0 HB2 PRO A 46 -10.855 -3.018 21.206 1.00 62.34 H new ATOM 0 HB3 PRO A 46 -10.049 -1.802 20.233 1.00 62.34 H new ATOM 0 HG2 PRO A 46 -11.011 -1.616 23.081 1.00 61.44 H new ATOM 0 HG3 PRO A 46 -9.504 -1.048 22.390 1.00 61.44 H new ATOM 0 HD2 PRO A 46 -11.584 0.646 22.866 1.00 75.22 H new ATOM 0 HD3 PRO A 46 -10.478 0.907 21.532 1.00 75.22 H new ATOM 615 N GLU A 47 -13.963 -1.924 22.053 1.00 43.40 N ATOM 616 CA GLU A 47 -15.054 -2.689 22.645 1.00 32.04 C ATOM 617 C GLU A 47 -16.395 -2.280 22.042 1.00 13.42 C ATOM 618 O GLU A 47 -17.440 -2.825 22.397 1.00 73.11 O ATOM 619 CB GLU A 47 -15.083 -2.491 24.162 1.00 31.22 C ATOM 620 CG GLU A 47 -15.046 -1.032 24.585 1.00 11.31 C ATOM 621 CD GLU A 47 -15.826 -0.775 25.860 1.00 24.42 C ATOM 622 OE1 GLU A 47 -15.263 -0.990 26.953 1.00 40.45 O ATOM 623 OE2 GLU A 47 -17.000 -0.359 25.765 1.00 72.40 O ATOM 0 H GLU A 47 -13.757 -1.045 22.528 1.00 43.40 H new ATOM 0 HA GLU A 47 -14.883 -3.743 22.427 1.00 32.04 H new ATOM 0 HB2 GLU A 47 -15.984 -2.954 24.563 1.00 31.22 H new ATOM 0 HB3 GLU A 47 -14.233 -3.011 24.604 1.00 31.22 H new ATOM 0 HG2 GLU A 47 -14.010 -0.725 24.729 1.00 11.31 H new ATOM 0 HG3 GLU A 47 -15.453 -0.415 23.784 1.00 11.31 H new ATOM 628 N ASP A 48 -16.357 -1.315 21.130 1.00 15.13 N ATOM 629 CA ASP A 48 -17.568 -0.832 20.476 1.00 11.13 C ATOM 630 C ASP A 48 -17.821 -1.586 19.175 1.00 11.11 C ATOM 631 O ASP A 48 -18.693 -1.214 18.390 1.00 52.40 O ATOM 632 CB ASP A 48 -17.459 0.668 20.198 1.00 2.33 C ATOM 633 CG ASP A 48 -17.959 1.510 21.356 1.00 24.30 C ATOM 634 OD1 ASP A 48 -18.248 0.935 22.426 1.00 73.13 O ATOM 635 OD2 ASP A 48 -18.063 2.744 21.192 1.00 40.01 O ATOM 0 H ASP A 48 -15.501 -0.851 20.827 1.00 15.13 H new ATOM 0 HA ASP A 48 -18.409 -1.009 21.147 1.00 11.13 H new ATOM 0 HB2 ASP A 48 -16.419 0.921 19.991 1.00 2.33 H new ATOM 0 HB3 ASP A 48 -18.031 0.911 19.302 1.00 2.33 H new ATOM 639 N ASN A 49 -17.051 -2.646 18.952 1.00 3.11 N ATOM 640 CA ASN A 49 -17.192 -3.452 17.744 1.00 71.11 C ATOM 641 C ASN A 49 -17.903 -4.767 18.047 1.00 64.31 C ATOM 642 O ASN A 49 -18.083 -5.607 17.164 1.00 14.33 O ATOM 643 CB ASN A 49 -15.818 -3.732 17.131 1.00 71.13 C ATOM 644 CG ASN A 49 -15.485 -2.778 16.000 1.00 54.24 C ATOM 645 OD1 ASN A 49 -15.940 -1.634 15.983 1.00 73.14 O ATOM 646 ND2 ASN A 49 -14.685 -3.246 15.048 1.00 21.15 N ATOM 0 H ASN A 49 -16.324 -2.967 19.591 1.00 3.11 H new ATOM 0 HA ASN A 49 -17.794 -2.890 17.030 1.00 71.11 H new ATOM 0 HB2 ASN A 49 -15.055 -3.654 17.905 1.00 71.13 H new ATOM 0 HB3 ASN A 49 -15.791 -4.756 16.759 1.00 71.13 H new ATOM 0 HD21 ASN A 49 -14.425 -2.650 14.262 1.00 21.15 H new ATOM 0 HD22 ASN A 49 -14.331 -4.201 15.103 1.00 21.15 H new ATOM 652 N LYS A 50 -18.309 -4.938 19.301 1.00 55.04 N ATOM 653 CA LYS A 50 -19.003 -6.150 19.721 1.00 2.25 C ATOM 654 C LYS A 50 -20.467 -5.856 20.035 1.00 61.03 C ATOM 655 O LYS A 50 -21.300 -6.762 20.061 1.00 60.33 O ATOM 656 CB LYS A 50 -18.319 -6.754 20.950 1.00 44.10 C ATOM 657 CG LYS A 50 -19.121 -7.864 21.608 1.00 4.24 C ATOM 658 CD LYS A 50 -19.320 -9.040 20.669 1.00 51.44 C ATOM 659 CE LYS A 50 -19.395 -10.355 21.430 1.00 42.52 C ATOM 660 NZ LYS A 50 -20.730 -10.558 22.058 1.00 31.24 N ATOM 0 H LYS A 50 -18.169 -4.253 20.044 1.00 55.04 H new ATOM 0 HA LYS A 50 -18.961 -6.866 18.900 1.00 2.25 H new ATOM 0 HB2 LYS A 50 -17.345 -7.145 20.658 1.00 44.10 H new ATOM 0 HB3 LYS A 50 -18.139 -5.965 21.680 1.00 44.10 H new ATOM 0 HG2 LYS A 50 -18.608 -8.200 22.509 1.00 4.24 H new ATOM 0 HG3 LYS A 50 -20.092 -7.477 21.919 1.00 4.24 H new ATOM 0 HD2 LYS A 50 -20.236 -8.898 20.095 1.00 51.44 H new ATOM 0 HD3 LYS A 50 -18.498 -9.079 19.954 1.00 51.44 H new ATOM 0 HE2 LYS A 50 -19.184 -11.180 20.750 1.00 42.52 H new ATOM 0 HE3 LYS A 50 -18.625 -10.373 22.201 1.00 42.52 H new ATOM 0 HZ1 LYS A 50 -20.740 -11.465 22.567 1.00 31.24 H new ATOM 0 HZ2 LYS A 50 -20.921 -9.784 22.726 1.00 31.24 H new ATOM 0 HZ3 LYS A 50 -21.463 -10.567 21.320 1.00 31.24 H new ATOM 670 N GLY A 51 -20.774 -4.584 20.271 1.00 53.11 N ATOM 671 CA GLY A 51 -22.138 -4.196 20.577 1.00 22.24 C ATOM 672 C GLY A 51 -23.084 -4.437 19.418 1.00 43.33 C ATOM 673 O GLY A 51 -24.269 -4.709 19.621 1.00 52.10 O ATOM 0 H GLY A 51 -20.103 -3.816 20.256 1.00 53.11 H new ATOM 0 HA2 GLY A 51 -22.485 -4.754 21.447 1.00 22.24 H new ATOM 0 HA3 GLY A 51 -22.160 -3.140 20.846 1.00 22.24 H new ATOM 676 N VAL A 52 -22.563 -4.338 18.200 1.00 41.01 N ATOM 677 CA VAL A 52 -23.370 -4.549 17.003 1.00 24.03 C ATOM 678 C VAL A 52 -23.882 -5.983 16.931 1.00 21.04 C ATOM 679 O VAL A 52 -25.023 -6.227 16.539 1.00 74.11 O ATOM 680 CB VAL A 52 -22.570 -4.234 15.725 1.00 44.23 C ATOM 681 CG1 VAL A 52 -22.044 -2.807 15.761 1.00 61.23 C ATOM 682 CG2 VAL A 52 -21.432 -5.227 15.552 1.00 50.03 C ATOM 0 H VAL A 52 -21.585 -4.113 18.015 1.00 41.01 H new ATOM 0 HA VAL A 52 -24.218 -3.868 17.068 1.00 24.03 H new ATOM 0 HB VAL A 52 -23.237 -4.327 14.868 1.00 44.23 H new ATOM 0 HG11 VAL A 52 -21.482 -2.603 14.850 1.00 61.23 H new ATOM 0 HG12 VAL A 52 -22.881 -2.112 15.834 1.00 61.23 H new ATOM 0 HG13 VAL A 52 -21.392 -2.681 16.625 1.00 61.23 H new ATOM 0 HG21 VAL A 52 -20.877 -4.990 14.644 1.00 50.03 H new ATOM 0 HG22 VAL A 52 -20.764 -5.168 16.411 1.00 50.03 H new ATOM 0 HG23 VAL A 52 -21.838 -6.236 15.476 1.00 50.03 H new ATOM 692 N PHE A 53 -23.030 -6.929 17.312 1.00 31.41 N ATOM 693 CA PHE A 53 -23.396 -8.340 17.289 1.00 14.42 C ATOM 694 C PHE A 53 -24.013 -8.764 18.619 1.00 73.41 C ATOM 695 O PHE A 53 -24.601 -9.839 18.727 1.00 75.22 O ATOM 696 CB PHE A 53 -22.168 -9.202 16.986 1.00 10.30 C ATOM 697 CG PHE A 53 -21.698 -9.098 15.563 1.00 2.34 C ATOM 698 CD1 PHE A 53 -22.458 -9.620 14.529 1.00 62.01 C ATOM 699 CD2 PHE A 53 -20.497 -8.477 15.260 1.00 11.12 C ATOM 700 CE1 PHE A 53 -22.029 -9.526 13.218 1.00 4.10 C ATOM 701 CE2 PHE A 53 -20.063 -8.379 13.951 1.00 21.00 C ATOM 702 CZ PHE A 53 -20.829 -8.905 12.929 1.00 44.24 C ATOM 0 H PHE A 53 -22.082 -6.744 17.640 1.00 31.41 H new ATOM 0 HA PHE A 53 -24.137 -8.485 16.503 1.00 14.42 H new ATOM 0 HB2 PHE A 53 -21.355 -8.909 17.651 1.00 10.30 H new ATOM 0 HB3 PHE A 53 -22.401 -10.243 17.208 1.00 10.30 H new ATOM 0 HD1 PHE A 53 -23.397 -10.106 14.750 1.00 62.01 H new ATOM 0 HD2 PHE A 53 -19.893 -8.065 16.055 1.00 11.12 H new ATOM 0 HE1 PHE A 53 -22.631 -9.937 12.421 1.00 4.10 H new ATOM 0 HE2 PHE A 53 -19.126 -7.891 13.728 1.00 21.00 H new ATOM 0 HZ PHE A 53 -20.491 -8.831 11.906 1.00 44.24 H new ATOM 711 N GLN A 54 -23.873 -7.910 19.627 1.00 24.34 N ATOM 712 CA GLN A 54 -24.416 -8.196 20.950 1.00 1.24 C ATOM 713 C GLN A 54 -25.934 -8.327 20.899 1.00 62.10 C ATOM 714 O GLN A 54 -26.511 -9.219 21.519 1.00 3.21 O ATOM 715 CB GLN A 54 -24.020 -7.094 21.936 1.00 55.04 C ATOM 716 CG GLN A 54 -24.154 -7.505 23.393 1.00 43.32 C ATOM 717 CD GLN A 54 -25.481 -7.089 23.997 1.00 53.21 C ATOM 718 OE1 GLN A 54 -26.368 -6.602 23.298 1.00 65.24 O ATOM 719 NE2 GLN A 54 -25.621 -7.279 25.304 1.00 44.02 N ATOM 0 H GLN A 54 -23.389 -7.015 19.554 1.00 24.34 H new ATOM 0 HA GLN A 54 -23.999 -9.144 21.289 1.00 1.24 H new ATOM 0 HB2 GLN A 54 -22.988 -6.799 21.744 1.00 55.04 H new ATOM 0 HB3 GLN A 54 -24.641 -6.216 21.756 1.00 55.04 H new ATOM 0 HG2 GLN A 54 -24.046 -8.587 23.473 1.00 43.32 H new ATOM 0 HG3 GLN A 54 -23.342 -7.060 23.968 1.00 43.32 H new ATOM 0 HE21 GLN A 54 -24.858 -7.686 25.845 1.00 44.02 H new ATOM 0 HE22 GLN A 54 -26.491 -7.017 25.767 1.00 44.02 H new ATOM 726 N GLY A 55 -26.576 -7.430 20.156 1.00 2.10 N ATOM 727 CA GLY A 55 -28.022 -7.464 20.038 1.00 4.23 C ATOM 728 C GLY A 55 -28.489 -8.290 18.857 1.00 21.13 C ATOM 729 O GLY A 55 -29.676 -8.589 18.729 1.00 24.41 O ATOM 0 H GLY A 55 -26.121 -6.681 19.634 1.00 2.10 H new ATOM 0 HA2 GLY A 55 -28.448 -7.873 20.954 1.00 4.23 H new ATOM 0 HA3 GLY A 55 -28.399 -6.446 19.937 1.00 4.23 H new ATOM 732 N VAL A 56 -27.553 -8.659 17.987 1.00 4.51 N ATOM 733 CA VAL A 56 -27.875 -9.455 16.809 1.00 1.41 C ATOM 734 C VAL A 56 -27.757 -10.946 17.105 1.00 52.31 C ATOM 735 O VAL A 56 -28.660 -11.725 16.799 1.00 25.42 O ATOM 736 CB VAL A 56 -26.955 -9.102 15.626 1.00 64.35 C ATOM 737 CG1 VAL A 56 -26.631 -10.347 14.812 1.00 4.30 C ATOM 738 CG2 VAL A 56 -27.599 -8.037 14.751 1.00 14.35 C ATOM 0 H VAL A 56 -26.566 -8.419 18.077 1.00 4.51 H new ATOM 0 HA VAL A 56 -28.905 -9.222 16.540 1.00 1.41 H new ATOM 0 HB VAL A 56 -26.021 -8.701 16.021 1.00 64.35 H new ATOM 0 HG11 VAL A 56 -25.980 -10.079 13.980 1.00 4.30 H new ATOM 0 HG12 VAL A 56 -26.127 -11.076 15.447 1.00 4.30 H new ATOM 0 HG13 VAL A 56 -27.554 -10.779 14.425 1.00 4.30 H new ATOM 0 HG21 VAL A 56 -26.935 -7.799 13.920 1.00 14.35 H new ATOM 0 HG22 VAL A 56 -28.547 -8.409 14.363 1.00 14.35 H new ATOM 0 HG23 VAL A 56 -27.776 -7.139 15.342 1.00 14.35 H new ATOM 748 N HIS A 57 -26.635 -11.339 17.702 1.00 21.03 N ATOM 749 CA HIS A 57 -26.398 -12.738 18.040 1.00 4.24 C ATOM 750 C HIS A 57 -27.548 -13.297 18.873 1.00 51.34 C ATOM 751 O HIS A 57 -27.840 -14.492 18.822 1.00 14.34 O ATOM 752 CB HIS A 57 -25.082 -12.883 18.805 1.00 74.42 C ATOM 753 CG HIS A 57 -24.727 -14.304 19.121 1.00 22.51 C ATOM 754 ND1 HIS A 57 -23.810 -15.031 18.393 1.00 20.22 N ATOM 755 CD2 HIS A 57 -25.172 -15.130 20.096 1.00 63.31 C ATOM 756 CE1 HIS A 57 -23.707 -16.244 18.905 1.00 51.40 C ATOM 757 NE2 HIS A 57 -24.523 -16.330 19.940 1.00 3.51 N ATOM 0 H HIS A 57 -25.876 -10.708 17.961 1.00 21.03 H new ATOM 0 HA HIS A 57 -26.335 -13.306 17.112 1.00 4.24 H new ATOM 0 HB2 HIS A 57 -24.279 -12.438 18.218 1.00 74.42 H new ATOM 0 HB3 HIS A 57 -25.147 -12.318 19.735 1.00 74.42 H new ATOM 0 HD1 HIS A 57 -23.292 -14.686 17.585 1.00 20.22 H new ATOM 0 HD2 HIS A 57 -25.902 -14.890 20.855 1.00 63.31 H new ATOM 0 HE1 HIS A 57 -23.065 -17.032 18.540 1.00 51.40 H new ATOM 764 N ASP A 58 -28.196 -12.427 19.639 1.00 23.44 N ATOM 765 CA ASP A 58 -29.314 -12.834 20.483 1.00 32.51 C ATOM 766 C ASP A 58 -30.449 -13.408 19.640 1.00 52.41 C ATOM 767 O ASP A 58 -31.278 -14.169 20.137 1.00 44.04 O ATOM 768 CB ASP A 58 -29.821 -11.646 21.302 1.00 1.13 C ATOM 769 CG ASP A 58 -30.882 -12.048 22.307 1.00 4.21 C ATOM 770 OD1 ASP A 58 -32.077 -12.031 21.947 1.00 63.22 O ATOM 771 OD2 ASP A 58 -30.517 -12.379 23.455 1.00 62.14 O ATOM 0 H ASP A 58 -27.967 -11.435 19.693 1.00 23.44 H new ATOM 0 HA ASP A 58 -28.961 -13.610 21.163 1.00 32.51 H new ATOM 0 HB2 ASP A 58 -28.984 -11.186 21.826 1.00 1.13 H new ATOM 0 HB3 ASP A 58 -30.229 -10.892 20.629 1.00 1.13 H new ATOM 775 N SER A 59 -30.478 -13.038 18.365 1.00 74.24 N ATOM 776 CA SER A 59 -31.514 -13.513 17.455 1.00 24.43 C ATOM 777 C SER A 59 -31.125 -14.854 16.842 1.00 62.55 C ATOM 778 O SER A 59 -31.984 -15.626 16.416 1.00 51.35 O ATOM 779 CB SER A 59 -31.760 -12.485 16.348 1.00 30.10 C ATOM 780 OG SER A 59 -32.212 -13.113 15.160 1.00 52.30 O ATOM 0 H SER A 59 -29.796 -12.411 17.938 1.00 74.24 H new ATOM 0 HA SER A 59 -32.432 -13.648 18.027 1.00 24.43 H new ATOM 0 HB2 SER A 59 -32.499 -11.756 16.682 1.00 30.10 H new ATOM 0 HB3 SER A 59 -30.840 -11.936 16.146 1.00 30.10 H new ATOM 0 HG SER A 59 -32.363 -12.435 14.469 1.00 52.30 H new ATOM 785 N ALA A 60 -29.824 -15.124 16.799 1.00 1.21 N ATOM 786 CA ALA A 60 -29.320 -16.372 16.240 1.00 43.33 C ATOM 787 C ALA A 60 -29.215 -17.451 17.312 1.00 44.50 C ATOM 788 O ALA A 60 -28.650 -18.518 17.078 1.00 12.14 O ATOM 789 CB ALA A 60 -27.968 -16.147 15.581 1.00 74.42 C ATOM 0 H ALA A 60 -29.100 -14.494 17.145 1.00 1.21 H new ATOM 0 HA ALA A 60 -30.027 -16.715 15.485 1.00 43.33 H new ATOM 0 HB1 ALA A 60 -27.604 -17.088 15.168 1.00 74.42 H new ATOM 0 HB2 ALA A 60 -28.071 -15.415 14.780 1.00 74.42 H new ATOM 0 HB3 ALA A 60 -27.259 -15.777 16.322 1.00 74.42 H new ATOM 795 N GLU A 61 -29.763 -17.164 18.490 1.00 61.30 N ATOM 796 CA GLU A 61 -29.729 -18.111 19.599 1.00 32.51 C ATOM 797 C GLU A 61 -30.238 -19.481 19.160 1.00 24.32 C ATOM 798 O GLU A 61 -29.796 -20.512 19.666 1.00 22.41 O ATOM 799 CB GLU A 61 -30.568 -17.592 20.767 1.00 43.25 C ATOM 800 CG GLU A 61 -29.960 -16.387 21.466 1.00 70.11 C ATOM 801 CD GLU A 61 -29.171 -16.767 22.705 1.00 61.45 C ATOM 802 OE1 GLU A 61 -29.777 -17.321 23.645 1.00 1.11 O ATOM 803 OE2 GLU A 61 -27.950 -16.511 22.732 1.00 51.33 O ATOM 0 H GLU A 61 -30.235 -16.285 18.700 1.00 61.30 H new ATOM 0 HA GLU A 61 -28.694 -18.215 19.924 1.00 32.51 H new ATOM 0 HB2 GLU A 61 -31.560 -17.327 20.401 1.00 43.25 H new ATOM 0 HB3 GLU A 61 -30.700 -18.394 21.493 1.00 43.25 H new ATOM 0 HG2 GLU A 61 -29.306 -15.860 20.771 1.00 70.11 H new ATOM 0 HG3 GLU A 61 -30.754 -15.694 21.744 1.00 70.11 H new ATOM 808 N LYS A 62 -31.173 -19.483 18.216 1.00 21.33 N ATOM 809 CA LYS A 62 -31.745 -20.724 17.708 1.00 75.04 C ATOM 810 C LYS A 62 -30.863 -21.323 16.616 1.00 1.34 C ATOM 811 O LYS A 62 -30.740 -22.542 16.502 1.00 5.31 O ATOM 812 CB LYS A 62 -33.153 -20.475 17.161 1.00 1.10 C ATOM 813 CG LYS A 62 -33.886 -21.746 16.767 1.00 70.21 C ATOM 814 CD LYS A 62 -34.941 -21.476 15.708 1.00 62.52 C ATOM 815 CE LYS A 62 -35.088 -22.651 14.754 1.00 71.21 C ATOM 816 NZ LYS A 62 -33.989 -22.692 13.750 1.00 12.33 N ATOM 0 H LYS A 62 -31.551 -18.638 17.787 1.00 21.33 H new ATOM 0 HA LYS A 62 -31.803 -21.433 18.534 1.00 75.04 H new ATOM 0 HB2 LYS A 62 -33.738 -19.947 17.914 1.00 1.10 H new ATOM 0 HB3 LYS A 62 -33.086 -19.820 16.292 1.00 1.10 H new ATOM 0 HG2 LYS A 62 -33.171 -22.478 16.391 1.00 70.21 H new ATOM 0 HG3 LYS A 62 -34.357 -22.183 17.647 1.00 70.21 H new ATOM 0 HD2 LYS A 62 -35.898 -21.275 16.190 1.00 62.52 H new ATOM 0 HD3 LYS A 62 -34.673 -20.581 15.146 1.00 62.52 H new ATOM 0 HE2 LYS A 62 -35.096 -23.581 15.322 1.00 71.21 H new ATOM 0 HE3 LYS A 62 -36.047 -22.584 14.240 1.00 71.21 H new ATOM 0 HZ1 LYS A 62 -34.126 -23.507 13.119 1.00 12.33 H new ATOM 0 HZ2 LYS A 62 -33.997 -21.815 13.190 1.00 12.33 H new ATOM 0 HZ3 LYS A 62 -33.075 -22.782 14.239 1.00 12.33 H new ATOM 826 N GLY A 63 -30.249 -20.456 15.816 1.00 42.03 N ATOM 827 CA GLY A 63 -29.385 -20.918 14.746 1.00 34.50 C ATOM 828 C GLY A 63 -27.931 -20.997 15.167 1.00 54.04 C ATOM 829 O GLY A 63 -27.034 -21.043 14.325 1.00 65.31 O ATOM 0 H GLY A 63 -30.335 -19.442 15.890 1.00 42.03 H new ATOM 0 HA2 GLY A 63 -29.718 -21.901 14.414 1.00 34.50 H new ATOM 0 HA3 GLY A 63 -29.477 -20.245 13.893 1.00 34.50 H new ATOM 832 N LYS A 64 -27.695 -21.012 16.474 1.00 45.11 N ATOM 833 CA LYS A 64 -26.341 -21.086 17.008 1.00 54.30 C ATOM 834 C LYS A 64 -25.964 -22.526 17.340 1.00 72.12 C ATOM 835 O LYS A 64 -25.154 -22.777 18.233 1.00 24.44 O ATOM 836 CB LYS A 64 -26.215 -20.213 18.260 1.00 70.45 C ATOM 837 CG LYS A 64 -24.778 -19.916 18.651 1.00 2.15 C ATOM 838 CD LYS A 64 -24.534 -20.187 20.125 1.00 1.34 C ATOM 839 CE LYS A 64 -25.289 -19.203 21.006 1.00 24.10 C ATOM 840 NZ LYS A 64 -26.344 -19.877 21.813 1.00 11.15 N ATOM 0 H LYS A 64 -28.426 -20.974 17.184 1.00 45.11 H new ATOM 0 HA LYS A 64 -25.656 -20.717 16.244 1.00 54.30 H new ATOM 0 HB2 LYS A 64 -26.739 -19.272 18.091 1.00 70.45 H new ATOM 0 HB3 LYS A 64 -26.714 -20.711 19.092 1.00 70.45 H new ATOM 0 HG2 LYS A 64 -24.103 -20.527 18.051 1.00 2.15 H new ATOM 0 HG3 LYS A 64 -24.547 -18.874 18.429 1.00 2.15 H new ATOM 0 HD2 LYS A 64 -24.844 -21.204 20.365 1.00 1.34 H new ATOM 0 HD3 LYS A 64 -23.467 -20.121 20.336 1.00 1.34 H new ATOM 0 HE2 LYS A 64 -24.588 -18.700 21.672 1.00 24.10 H new ATOM 0 HE3 LYS A 64 -25.745 -18.433 20.383 1.00 24.10 H new ATOM 0 HZ1 LYS A 64 -27.077 -19.186 22.072 1.00 11.15 H new ATOM 0 HZ2 LYS A 64 -26.771 -20.643 21.255 1.00 11.15 H new ATOM 0 HZ3 LYS A 64 -25.921 -20.272 22.677 1.00 11.15 H new ATOM 850 N ASP A 65 -26.555 -23.469 16.615 1.00 61.21 N ATOM 851 CA ASP A 65 -26.279 -24.885 16.830 1.00 43.20 C ATOM 852 C ASP A 65 -25.519 -25.476 15.647 1.00 62.04 C ATOM 853 O ASP A 65 -25.399 -26.695 15.521 1.00 14.32 O ATOM 854 CB ASP A 65 -27.584 -25.653 17.051 1.00 34.32 C ATOM 855 CG ASP A 65 -28.320 -25.198 18.295 1.00 42.01 C ATOM 856 OD1 ASP A 65 -27.827 -24.272 18.971 1.00 34.44 O ATOM 857 OD2 ASP A 65 -29.389 -25.771 18.595 1.00 32.55 O ATOM 0 H ASP A 65 -27.229 -23.279 15.873 1.00 61.21 H new ATOM 0 HA ASP A 65 -25.657 -24.978 17.720 1.00 43.20 H new ATOM 0 HB2 ASP A 65 -28.230 -25.523 16.183 1.00 34.32 H new ATOM 0 HB3 ASP A 65 -27.366 -26.718 17.130 1.00 34.32 H new ATOM 861 N ASN A 66 -25.010 -24.606 14.782 1.00 31.11 N ATOM 862 CA ASN A 66 -24.264 -25.043 13.607 1.00 12.52 C ATOM 863 C ASN A 66 -23.307 -26.177 13.962 1.00 42.34 C ATOM 864 O ASN A 66 -23.048 -27.062 13.147 1.00 52.43 O ATOM 865 CB ASN A 66 -23.482 -23.871 13.009 1.00 45.11 C ATOM 866 CG ASN A 66 -22.327 -23.436 13.890 1.00 31.20 C ATOM 867 OD1 ASN A 66 -22.578 -23.340 15.190 1.00 4.42 O flip ATOM 868 ND2 ASN A 66 -21.222 -23.190 13.406 1.00 63.10 N flip ATOM 0 H ASN A 66 -25.100 -23.594 14.872 1.00 31.11 H new ATOM 0 HA ASN A 66 -24.978 -25.410 12.870 1.00 12.52 H new ATOM 0 HB2 ASN A 66 -23.100 -24.155 12.028 1.00 45.11 H new ATOM 0 HB3 ASN A 66 -24.156 -23.028 12.856 1.00 45.11 H new ATOM 0 HD21 ASN A 66 -21.075 -23.277 12.400 1.00 63.10 H new ATOM 0 HD22 ASN A 66 -20.454 -22.899 14.011 1.00 63.10 H new ATOM 874 N ALA A 67 -22.786 -26.145 15.185 1.00 22.22 N ATOM 875 CA ALA A 67 -21.861 -27.171 15.648 1.00 31.01 C ATOM 876 C ALA A 67 -22.390 -28.567 15.340 1.00 42.43 C ATOM 877 O ALA A 67 -21.640 -29.446 14.918 1.00 34.12 O ATOM 878 CB ALA A 67 -21.608 -27.018 17.142 1.00 75.40 C ATOM 0 H ALA A 67 -22.989 -25.419 15.872 1.00 22.22 H new ATOM 0 HA ALA A 67 -20.919 -27.043 15.115 1.00 31.01 H new ATOM 0 HB1 ALA A 67 -20.915 -27.791 17.475 1.00 75.40 H new ATOM 0 HB2 ALA A 67 -21.178 -26.036 17.340 1.00 75.40 H new ATOM 0 HB3 ALA A 67 -22.549 -27.117 17.682 1.00 75.40 H new ATOM 947 N LEU A 74 -18.238 -34.153 6.192 1.00 11.33 N ATOM 948 CA LEU A 74 -19.521 -34.574 5.641 1.00 2.03 C ATOM 949 C LEU A 74 -19.380 -35.887 4.878 1.00 22.34 C ATOM 950 O LEU A 74 -20.373 -36.486 4.467 1.00 61.14 O ATOM 951 CB LEU A 74 -20.082 -33.491 4.718 1.00 11.10 C ATOM 952 CG LEU A 74 -19.461 -33.410 3.324 1.00 41.12 C ATOM 953 CD1 LEU A 74 -17.943 -33.387 3.415 1.00 4.53 C ATOM 954 CD2 LEU A 74 -19.927 -34.576 2.463 1.00 0.13 C ATOM 0 HA LEU A 74 -20.212 -34.729 6.470 1.00 2.03 H new ATOM 0 HB2 LEU A 74 -21.154 -33.656 4.607 1.00 11.10 H new ATOM 0 HB3 LEU A 74 -19.957 -32.525 5.206 1.00 11.10 H new ATOM 0 HG LEU A 74 -19.791 -32.483 2.855 1.00 41.12 H new ATOM 0 HD11 LEU A 74 -17.519 -33.329 2.412 1.00 4.53 H new ATOM 0 HD12 LEU A 74 -17.626 -32.519 3.993 1.00 4.53 H new ATOM 0 HD13 LEU A 74 -17.594 -34.296 3.904 1.00 4.53 H new ATOM 0 HD21 LEU A 74 -19.475 -34.502 1.474 1.00 0.13 H new ATOM 0 HD22 LEU A 74 -19.628 -35.515 2.929 1.00 0.13 H new ATOM 0 HD23 LEU A 74 -21.013 -34.547 2.369 1.00 0.13 H new ATOM 965 N ALA A 75 -18.140 -36.329 4.692 1.00 21.14 N ATOM 966 CA ALA A 75 -17.871 -37.572 3.983 1.00 35.41 C ATOM 967 C ALA A 75 -18.023 -38.776 4.905 1.00 65.33 C ATOM 968 O ALA A 75 -18.406 -39.861 4.467 1.00 13.53 O ATOM 969 CB ALA A 75 -16.474 -37.542 3.377 1.00 43.05 C ATOM 0 H ALA A 75 -17.306 -35.843 5.023 1.00 21.14 H new ATOM 0 HA ALA A 75 -18.602 -37.668 3.181 1.00 35.41 H new ATOM 0 HB1 ALA A 75 -16.286 -38.477 2.850 1.00 43.05 H new ATOM 0 HB2 ALA A 75 -16.399 -36.710 2.677 1.00 43.05 H new ATOM 0 HB3 ALA A 75 -15.736 -37.418 4.170 1.00 43.05 H new ATOM 975 N ASP A 76 -17.723 -38.577 6.184 1.00 53.35 N ATOM 976 CA ASP A 76 -17.826 -39.647 7.169 1.00 64.03 C ATOM 977 C ASP A 76 -19.237 -40.227 7.193 1.00 42.41 C ATOM 978 O ASP A 76 -19.417 -41.441 7.288 1.00 1.22 O ATOM 979 CB ASP A 76 -17.451 -39.129 8.558 1.00 2.22 C ATOM 980 CG ASP A 76 -17.214 -40.250 9.550 1.00 4.44 C ATOM 981 OD1 ASP A 76 -18.191 -40.940 9.911 1.00 24.14 O ATOM 982 OD2 ASP A 76 -16.051 -40.438 9.966 1.00 64.53 O ATOM 0 H ASP A 76 -17.407 -37.684 6.563 1.00 53.35 H new ATOM 0 HA ASP A 76 -17.131 -40.437 6.885 1.00 64.03 H new ATOM 0 HB2 ASP A 76 -16.552 -38.517 8.484 1.00 2.22 H new ATOM 0 HB3 ASP A 76 -18.247 -38.482 8.928 1.00 2.22 H new ATOM 986 N GLN A 77 -20.233 -39.352 7.108 1.00 63.12 N ATOM 987 CA GLN A 77 -21.628 -39.778 7.122 1.00 1.30 C ATOM 988 C GLN A 77 -22.068 -40.247 5.740 1.00 73.53 C ATOM 989 O GLN A 77 -22.870 -41.171 5.613 1.00 52.02 O ATOM 990 CB GLN A 77 -22.528 -38.635 7.598 1.00 72.53 C ATOM 991 CG GLN A 77 -21.945 -37.843 8.756 1.00 1.25 C ATOM 992 CD GLN A 77 -21.311 -38.730 9.810 1.00 34.23 C ATOM 993 OE1 GLN A 77 -21.797 -39.826 10.088 1.00 53.42 O ATOM 994 NE2 GLN A 77 -20.219 -38.259 10.402 1.00 63.13 N ATOM 0 H GLN A 77 -20.101 -38.344 7.029 1.00 63.12 H new ATOM 0 HA GLN A 77 -21.719 -40.615 7.815 1.00 1.30 H new ATOM 0 HB2 GLN A 77 -22.714 -37.959 6.764 1.00 72.53 H new ATOM 0 HB3 GLN A 77 -23.493 -39.044 7.898 1.00 72.53 H new ATOM 0 HG2 GLN A 77 -21.198 -37.147 8.375 1.00 1.25 H new ATOM 0 HG3 GLN A 77 -22.732 -37.245 9.215 1.00 1.25 H new ATOM 0 HE21 GLN A 77 -19.851 -37.345 10.140 1.00 63.13 H new ATOM 0 HE22 GLN A 77 -19.749 -38.812 11.119 1.00 63.13 H new ATOM 1001 N ALA A 78 -21.538 -39.602 4.705 1.00 13.34 N ATOM 1002 CA ALA A 78 -21.875 -39.954 3.332 1.00 11.11 C ATOM 1003 C ALA A 78 -21.851 -41.466 3.131 1.00 23.11 C ATOM 1004 O ALA A 78 -22.604 -42.005 2.319 1.00 21.21 O ATOM 1005 CB ALA A 78 -20.917 -39.277 2.363 1.00 12.43 C ATOM 0 H ALA A 78 -20.874 -38.833 4.792 1.00 13.34 H new ATOM 0 HA ALA A 78 -22.887 -39.602 3.131 1.00 11.11 H new ATOM 0 HB1 ALA A 78 -21.181 -39.549 1.341 1.00 12.43 H new ATOM 0 HB2 ALA A 78 -20.985 -38.195 2.480 1.00 12.43 H new ATOM 0 HB3 ALA A 78 -19.898 -39.601 2.573 1.00 12.43 H new ATOM 1011 N ARG A 79 -20.984 -42.144 3.875 1.00 2.14 N ATOM 1012 CA ARG A 79 -20.862 -43.593 3.776 1.00 51.43 C ATOM 1013 C ARG A 79 -22.002 -44.286 4.516 1.00 10.35 C ATOM 1014 O ARG A 79 -22.631 -45.204 3.989 1.00 51.33 O ATOM 1015 CB ARG A 79 -19.518 -44.053 4.344 1.00 71.43 C ATOM 1016 CG ARG A 79 -19.501 -44.162 5.860 1.00 24.15 C ATOM 1017 CD ARG A 79 -18.097 -44.411 6.385 1.00 1.21 C ATOM 1018 NE ARG A 79 -17.780 -45.835 6.446 1.00 50.52 N ATOM 1019 CZ ARG A 79 -16.623 -46.313 6.894 1.00 30.41 C ATOM 1020 NH1 ARG A 79 -15.679 -45.483 7.317 1.00 64.03 N ATOM 1021 NH2 ARG A 79 -16.410 -47.622 6.918 1.00 2.34 N ATOM 0 H ARG A 79 -20.356 -41.713 4.553 1.00 2.14 H new ATOM 0 HA ARG A 79 -20.916 -43.866 2.722 1.00 51.43 H new ATOM 0 HB2 ARG A 79 -19.265 -45.023 3.916 1.00 71.43 H new ATOM 0 HB3 ARG A 79 -18.743 -43.354 4.030 1.00 71.43 H new ATOM 0 HG2 ARG A 79 -19.896 -43.245 6.296 1.00 24.15 H new ATOM 0 HG3 ARG A 79 -20.157 -44.973 6.175 1.00 24.15 H new ATOM 0 HD2 ARG A 79 -17.375 -43.906 5.743 1.00 1.21 H new ATOM 0 HD3 ARG A 79 -17.999 -43.975 7.379 1.00 1.21 H new ATOM 0 HE ARG A 79 -18.485 -46.500 6.127 1.00 50.52 H new ATOM 0 HH11 ARG A 79 -15.840 -44.476 7.299 1.00 64.03 H new ATOM 0 HH12 ARG A 79 -14.792 -45.852 7.660 1.00 64.03 H new ATOM 0 HH21 ARG A 79 -17.134 -48.263 6.593 1.00 2.34 H new ATOM 0 HH22 ARG A 79 -15.522 -47.988 7.262 1.00 2.34 H new ATOM 1032 N ASP A 80 -22.263 -43.841 5.741 1.00 20.22 N ATOM 1033 CA ASP A 80 -23.328 -44.417 6.553 1.00 4.21 C ATOM 1034 C ASP A 80 -24.666 -43.748 6.251 1.00 33.14 C ATOM 1035 O ASP A 80 -25.644 -44.416 5.918 1.00 40.32 O ATOM 1036 CB ASP A 80 -22.998 -44.275 8.040 1.00 54.22 C ATOM 1037 CG ASP A 80 -22.479 -42.894 8.389 1.00 50.21 C ATOM 1038 OD1 ASP A 80 -23.309 -41.988 8.616 1.00 42.34 O ATOM 1039 OD2 ASP A 80 -21.244 -42.719 8.435 1.00 24.44 O ATOM 0 H ASP A 80 -21.751 -43.083 6.193 1.00 20.22 H new ATOM 0 HA ASP A 80 -23.407 -45.475 6.305 1.00 4.21 H new ATOM 0 HB2 ASP A 80 -23.891 -44.484 8.629 1.00 54.22 H new ATOM 0 HB3 ASP A 80 -22.253 -45.021 8.316 1.00 54.22 H new ATOM 1043 N TYR A 81 -24.699 -42.425 6.370 1.00 43.40 N ATOM 1044 CA TYR A 81 -25.917 -41.666 6.113 1.00 50.15 C ATOM 1045 C TYR A 81 -26.627 -42.180 4.864 1.00 15.11 C ATOM 1046 O TYR A 81 -27.780 -42.605 4.922 1.00 12.04 O ATOM 1047 CB TYR A 81 -25.593 -40.180 5.954 1.00 31.41 C ATOM 1048 CG TYR A 81 -26.781 -39.273 6.181 1.00 75.11 C ATOM 1049 CD1 TYR A 81 -27.631 -39.467 7.262 1.00 5.40 C ATOM 1050 CD2 TYR A 81 -27.053 -38.220 5.315 1.00 73.14 C ATOM 1051 CE1 TYR A 81 -28.718 -38.641 7.474 1.00 31.24 C ATOM 1052 CE2 TYR A 81 -28.137 -37.389 5.519 1.00 33.34 C ATOM 1053 CZ TYR A 81 -28.966 -37.603 6.599 1.00 44.10 C ATOM 1054 OH TYR A 81 -30.048 -36.778 6.807 1.00 0.53 O ATOM 0 H TYR A 81 -23.897 -41.857 6.643 1.00 43.40 H new ATOM 0 HA TYR A 81 -26.582 -41.797 6.966 1.00 50.15 H new ATOM 0 HB2 TYR A 81 -24.803 -39.912 6.655 1.00 31.41 H new ATOM 0 HB3 TYR A 81 -25.201 -40.008 4.952 1.00 31.41 H new ATOM 0 HD1 TYR A 81 -27.439 -40.278 7.949 1.00 5.40 H new ATOM 0 HD2 TYR A 81 -26.405 -38.049 4.468 1.00 73.14 H new ATOM 0 HE1 TYR A 81 -29.370 -38.807 8.319 1.00 31.24 H new ATOM 0 HE2 TYR A 81 -28.334 -36.576 4.836 1.00 33.34 H new ATOM 0 HH TYR A 81 -30.081 -36.097 6.103 1.00 0.53 H new ATOM 1063 N MET A 82 -25.926 -42.139 3.735 1.00 0.32 N ATOM 1064 CA MET A 82 -26.487 -42.602 2.471 1.00 63.02 C ATOM 1065 C MET A 82 -27.079 -44.000 2.619 1.00 12.12 C ATOM 1066 O MET A 82 -28.139 -44.297 2.068 1.00 54.13 O ATOM 1067 CB MET A 82 -25.413 -42.603 1.382 1.00 63.30 C ATOM 1068 CG MET A 82 -24.573 -43.870 1.357 1.00 24.12 C ATOM 1069 SD MET A 82 -23.360 -43.873 0.023 1.00 64.24 S ATOM 1070 CE MET A 82 -23.649 -45.490 -0.693 1.00 70.42 C ATOM 0 H MET A 82 -24.970 -41.790 3.670 1.00 0.32 H new ATOM 0 HA MET A 82 -27.285 -41.917 2.184 1.00 63.02 H new ATOM 0 HB2 MET A 82 -25.892 -42.475 0.411 1.00 63.30 H new ATOM 0 HB3 MET A 82 -24.757 -41.745 1.529 1.00 63.30 H new ATOM 0 HG2 MET A 82 -24.058 -43.979 2.311 1.00 24.12 H new ATOM 0 HG3 MET A 82 -25.229 -44.734 1.249 1.00 24.12 H new ATOM 0 HE1 MET A 82 -22.972 -45.642 -1.534 1.00 70.42 H new ATOM 0 HE2 MET A 82 -23.471 -46.258 0.060 1.00 70.42 H new ATOM 0 HE3 MET A 82 -24.680 -45.555 -1.041 1.00 70.42 H new ATOM 1078 N GLY A 83 -26.387 -44.855 3.365 1.00 41.52 N ATOM 1079 CA GLY A 83 -26.861 -46.212 3.572 1.00 13.35 C ATOM 1080 C GLY A 83 -28.098 -46.268 4.446 1.00 32.35 C ATOM 1081 O GLY A 83 -29.150 -46.734 4.014 1.00 43.25 O ATOM 0 H GLY A 83 -25.507 -44.633 3.830 1.00 41.52 H new ATOM 0 HA2 GLY A 83 -27.081 -46.668 2.607 1.00 13.35 H new ATOM 0 HA3 GLY A 83 -26.069 -46.804 4.031 1.00 13.35 H new ATOM 1084 N ALA A 84 -27.970 -45.792 5.681 1.00 74.13 N ATOM 1085 CA ALA A 84 -29.086 -45.790 6.618 1.00 1.01 C ATOM 1086 C ALA A 84 -30.319 -45.140 6.001 1.00 31.45 C ATOM 1087 O ALA A 84 -31.446 -45.403 6.419 1.00 65.22 O ATOM 1088 CB ALA A 84 -28.695 -45.073 7.902 1.00 72.24 C ATOM 0 H ALA A 84 -27.104 -45.403 6.055 1.00 74.13 H new ATOM 0 HA ALA A 84 -29.333 -46.825 6.854 1.00 1.01 H new ATOM 0 HB1 ALA A 84 -29.538 -45.079 8.593 1.00 72.24 H new ATOM 0 HB2 ALA A 84 -27.847 -45.583 8.360 1.00 72.24 H new ATOM 0 HB3 ALA A 84 -28.420 -44.043 7.674 1.00 72.24 H new ATOM 1094 N ALA A 85 -30.098 -44.288 5.004 1.00 4.33 N ATOM 1095 CA ALA A 85 -31.192 -43.601 4.329 1.00 41.44 C ATOM 1096 C ALA A 85 -31.913 -44.534 3.362 1.00 1.13 C ATOM 1097 O ALA A 85 -33.009 -45.016 3.649 1.00 31.23 O ATOM 1098 CB ALA A 85 -30.671 -42.375 3.594 1.00 1.12 C ATOM 0 H ALA A 85 -29.171 -44.058 4.646 1.00 4.33 H new ATOM 0 HA ALA A 85 -31.909 -43.280 5.085 1.00 41.44 H new ATOM 0 HB1 ALA A 85 -31.499 -41.871 3.094 1.00 1.12 H new ATOM 0 HB2 ALA A 85 -30.208 -41.693 4.307 1.00 1.12 H new ATOM 0 HB3 ALA A 85 -29.932 -42.681 2.853 1.00 1.12 H new ATOM 1104 N LYS A 86 -31.291 -44.785 2.216 1.00 34.34 N ATOM 1105 CA LYS A 86 -31.872 -45.661 1.206 1.00 71.32 C ATOM 1106 C LYS A 86 -32.207 -47.026 1.797 1.00 51.12 C ATOM 1107 O LYS A 86 -33.237 -47.617 1.473 1.00 51.25 O ATOM 1108 CB LYS A 86 -30.908 -45.827 0.028 1.00 24.14 C ATOM 1109 CG LYS A 86 -31.524 -46.531 -1.168 1.00 12.04 C ATOM 1110 CD LYS A 86 -31.180 -48.010 -1.183 1.00 52.41 C ATOM 1111 CE LYS A 86 -31.471 -48.637 -2.537 1.00 72.30 C ATOM 1112 NZ LYS A 86 -31.906 -50.056 -2.410 1.00 23.05 N ATOM 0 H LYS A 86 -30.384 -44.394 1.963 1.00 34.34 H new ATOM 0 HA LYS A 86 -32.794 -45.201 0.851 1.00 71.32 H new ATOM 0 HB2 LYS A 86 -30.554 -44.844 -0.282 1.00 24.14 H new ATOM 0 HB3 LYS A 86 -30.035 -46.389 0.360 1.00 24.14 H new ATOM 0 HG2 LYS A 86 -32.607 -46.409 -1.145 1.00 12.04 H new ATOM 0 HG3 LYS A 86 -31.170 -46.065 -2.088 1.00 12.04 H new ATOM 0 HD2 LYS A 86 -30.126 -48.142 -0.939 1.00 52.41 H new ATOM 0 HD3 LYS A 86 -31.752 -48.525 -0.412 1.00 52.41 H new ATOM 0 HE2 LYS A 86 -32.247 -48.063 -3.043 1.00 72.30 H new ATOM 0 HE3 LYS A 86 -30.578 -48.585 -3.160 1.00 72.30 H new ATOM 0 HZ1 LYS A 86 -32.095 -50.447 -3.355 1.00 23.05 H new ATOM 0 HZ2 LYS A 86 -31.155 -50.609 -1.950 1.00 23.05 H new ATOM 0 HZ3 LYS A 86 -32.772 -50.104 -1.836 1.00 23.05 H new ATOM 1122 N SER A 87 -31.331 -47.521 2.666 1.00 72.54 N ATOM 1123 CA SER A 87 -31.534 -48.818 3.301 1.00 43.01 C ATOM 1124 C SER A 87 -32.783 -48.805 4.176 1.00 45.14 C ATOM 1125 O SER A 87 -33.761 -49.498 3.894 1.00 2.42 O ATOM 1126 CB SER A 87 -30.312 -49.194 4.141 1.00 2.34 C ATOM 1127 OG SER A 87 -30.274 -50.589 4.389 1.00 15.01 O ATOM 0 H SER A 87 -30.474 -47.044 2.946 1.00 72.54 H new ATOM 0 HA SER A 87 -31.670 -49.562 2.516 1.00 43.01 H new ATOM 0 HB2 SER A 87 -29.403 -48.888 3.623 1.00 2.34 H new ATOM 0 HB3 SER A 87 -30.337 -48.654 5.087 1.00 2.34 H new ATOM 0 HG SER A 87 -31.177 -50.961 4.304 1.00 15.01 H new ATOM 1132 N LYS A 88 -32.743 -48.012 5.241 1.00 4.12 N ATOM 1133 CA LYS A 88 -33.871 -47.906 6.159 1.00 23.13 C ATOM 1134 C LYS A 88 -35.103 -47.354 5.448 1.00 32.15 C ATOM 1135 O LYS A 88 -36.203 -47.890 5.582 1.00 61.31 O ATOM 1136 CB LYS A 88 -33.508 -47.007 7.344 1.00 22.22 C ATOM 1137 CG LYS A 88 -34.169 -47.422 8.647 1.00 73.42 C ATOM 1138 CD LYS A 88 -34.627 -46.216 9.450 1.00 34.44 C ATOM 1139 CE LYS A 88 -35.861 -46.534 10.280 1.00 21.42 C ATOM 1140 NZ LYS A 88 -35.529 -47.359 11.473 1.00 40.21 N ATOM 0 H LYS A 88 -31.941 -47.433 5.490 1.00 4.12 H new ATOM 0 HA LYS A 88 -34.103 -48.906 6.526 1.00 23.13 H new ATOM 0 HB2 LYS A 88 -32.426 -47.014 7.477 1.00 22.22 H new ATOM 0 HB3 LYS A 88 -33.794 -45.981 7.112 1.00 22.22 H new ATOM 0 HG2 LYS A 88 -35.024 -48.064 8.434 1.00 73.42 H new ATOM 0 HG3 LYS A 88 -33.469 -48.010 9.240 1.00 73.42 H new ATOM 0 HD2 LYS A 88 -33.821 -45.887 10.106 1.00 34.44 H new ATOM 0 HD3 LYS A 88 -34.845 -45.389 8.774 1.00 34.44 H new ATOM 0 HE2 LYS A 88 -36.332 -45.605 10.601 1.00 21.42 H new ATOM 0 HE3 LYS A 88 -36.587 -47.063 9.663 1.00 21.42 H new ATOM 0 HZ1 LYS A 88 -36.396 -47.554 12.012 1.00 40.21 H new ATOM 0 HZ2 LYS A 88 -35.102 -48.257 11.167 1.00 40.21 H new ATOM 0 HZ3 LYS A 88 -34.856 -46.844 12.075 1.00 40.21 H new ATOM 1150 N LEU A 89 -34.910 -46.280 4.689 1.00 14.52 N ATOM 1151 CA LEU A 89 -36.005 -45.656 3.954 1.00 2.43 C ATOM 1152 C LEU A 89 -36.679 -46.660 3.025 1.00 22.03 C ATOM 1153 O LEU A 89 -37.903 -46.769 2.997 1.00 25.40 O ATOM 1154 CB LEU A 89 -35.488 -44.463 3.147 1.00 44.35 C ATOM 1155 CG LEU A 89 -36.552 -43.609 2.457 1.00 61.30 C ATOM 1156 CD1 LEU A 89 -37.749 -43.403 3.373 1.00 71.14 C ATOM 1157 CD2 LEU A 89 -35.968 -42.270 2.031 1.00 54.30 C ATOM 0 H LEU A 89 -34.006 -45.824 4.567 1.00 14.52 H new ATOM 0 HA LEU A 89 -36.743 -45.306 4.676 1.00 2.43 H new ATOM 0 HB2 LEU A 89 -34.911 -43.821 3.813 1.00 44.35 H new ATOM 0 HB3 LEU A 89 -34.800 -44.834 2.388 1.00 44.35 H new ATOM 0 HG LEU A 89 -36.890 -44.136 1.565 1.00 61.30 H new ATOM 0 HD11 LEU A 89 -38.496 -42.793 2.865 1.00 71.14 H new ATOM 0 HD12 LEU A 89 -38.183 -44.370 3.628 1.00 71.14 H new ATOM 0 HD13 LEU A 89 -37.427 -42.898 4.284 1.00 71.14 H new ATOM 0 HD21 LEU A 89 -36.740 -41.676 1.542 1.00 54.30 H new ATOM 0 HD22 LEU A 89 -35.601 -41.737 2.908 1.00 54.30 H new ATOM 0 HD23 LEU A 89 -35.144 -42.437 1.337 1.00 54.30 H new ATOM 1168 N ASN A 90 -35.869 -47.393 2.267 1.00 43.22 N ATOM 1169 CA ASN A 90 -36.388 -48.390 1.338 1.00 11.41 C ATOM 1170 C ASN A 90 -36.857 -49.637 2.083 1.00 33.54 C ATOM 1171 O ASN A 90 -37.906 -50.200 1.771 1.00 74.01 O ATOM 1172 CB ASN A 90 -35.316 -48.769 0.313 1.00 22.21 C ATOM 1173 CG ASN A 90 -35.905 -49.406 -0.931 1.00 3.21 C ATOM 1174 OD1 ASN A 90 -36.216 -50.597 -0.943 1.00 24.03 O ATOM 1175 ND2 ASN A 90 -36.060 -48.613 -1.985 1.00 5.23 N ATOM 0 H ASN A 90 -34.852 -47.315 2.278 1.00 43.22 H new ATOM 0 HA ASN A 90 -37.242 -47.956 0.818 1.00 11.41 H new ATOM 0 HB2 ASN A 90 -34.756 -47.878 0.031 1.00 22.21 H new ATOM 0 HB3 ASN A 90 -34.607 -49.459 0.771 1.00 22.21 H new ATOM 0 HD21 ASN A 90 -36.451 -48.985 -2.850 1.00 5.23 H new ATOM 0 HD22 ASN A 90 -35.788 -47.632 -1.929 1.00 5.23 H new ATOM 1181 N ASP A 91 -36.074 -50.059 3.069 1.00 1.42 N ATOM 1182 CA ASP A 91 -36.410 -51.238 3.861 1.00 34.31 C ATOM 1183 C ASP A 91 -37.569 -50.944 4.808 1.00 71.42 C ATOM 1184 O ASP A 91 -38.274 -51.854 5.242 1.00 65.41 O ATOM 1185 CB ASP A 91 -35.192 -51.708 4.656 1.00 0.02 C ATOM 1186 CG ASP A 91 -34.076 -52.213 3.763 1.00 62.03 C ATOM 1187 OD1 ASP A 91 -34.354 -52.525 2.586 1.00 10.04 O ATOM 1188 OD2 ASP A 91 -32.924 -52.297 4.240 1.00 64.44 O ATOM 0 H ASP A 91 -35.203 -49.603 3.340 1.00 1.42 H new ATOM 0 HA ASP A 91 -36.715 -52.030 3.177 1.00 34.31 H new ATOM 0 HB2 ASP A 91 -34.820 -50.885 5.266 1.00 0.02 H new ATOM 0 HB3 ASP A 91 -35.493 -52.501 5.340 1.00 0.02 H new ATOM 1192 N ALA A 92 -37.760 -49.667 5.124 1.00 74.14 N ATOM 1193 CA ALA A 92 -38.834 -49.253 6.018 1.00 12.31 C ATOM 1194 C ALA A 92 -40.074 -48.838 5.232 1.00 34.04 C ATOM 1195 O ALA A 92 -41.197 -48.939 5.727 1.00 14.14 O ATOM 1196 CB ALA A 92 -38.367 -48.114 6.912 1.00 71.12 C ATOM 0 H ALA A 92 -37.184 -48.901 4.774 1.00 74.14 H new ATOM 0 HA ALA A 92 -39.101 -50.105 6.644 1.00 12.31 H new ATOM 0 HB1 ALA A 92 -39.179 -47.815 7.574 1.00 71.12 H new ATOM 0 HB2 ALA A 92 -37.516 -48.444 7.508 1.00 71.12 H new ATOM 0 HB3 ALA A 92 -38.071 -47.265 6.295 1.00 71.12 H new ATOM 1202 N VAL A 93 -39.861 -48.370 4.006 1.00 62.43 N ATOM 1203 CA VAL A 93 -40.962 -47.940 3.152 1.00 64.03 C ATOM 1204 C VAL A 93 -41.208 -48.940 2.027 1.00 24.13 C ATOM 1205 O VAL A 93 -42.259 -49.578 1.971 1.00 1.14 O ATOM 1206 CB VAL A 93 -40.689 -46.553 2.541 1.00 61.12 C ATOM 1207 CG1 VAL A 93 -41.853 -46.117 1.665 1.00 24.43 C ATOM 1208 CG2 VAL A 93 -40.423 -45.531 3.636 1.00 14.32 C ATOM 0 H VAL A 93 -38.938 -48.279 3.583 1.00 62.43 H new ATOM 0 HA VAL A 93 -41.849 -47.883 3.783 1.00 64.03 H new ATOM 0 HB VAL A 93 -39.799 -46.620 1.915 1.00 61.12 H new ATOM 0 HG11 VAL A 93 -41.642 -45.135 1.242 1.00 24.43 H new ATOM 0 HG12 VAL A 93 -41.991 -46.837 0.859 1.00 24.43 H new ATOM 0 HG13 VAL A 93 -42.761 -46.066 2.266 1.00 24.43 H new ATOM 0 HG21 VAL A 93 -40.232 -44.557 3.186 1.00 14.32 H new ATOM 0 HG22 VAL A 93 -41.292 -45.464 4.290 1.00 14.32 H new ATOM 0 HG23 VAL A 93 -39.554 -45.839 4.217 1.00 14.32 H new ATOM 1218 N GLU A 94 -40.232 -49.070 1.135 1.00 33.33 N ATOM 1219 CA GLU A 94 -40.344 -49.992 0.012 1.00 74.52 C ATOM 1220 C GLU A 94 -40.685 -51.399 0.493 1.00 43.32 C ATOM 1221 O GLU A 94 -41.480 -52.105 -0.129 1.00 31.05 O ATOM 1222 CB GLU A 94 -39.038 -50.018 -0.787 1.00 62.54 C ATOM 1223 CG GLU A 94 -39.245 -49.969 -2.292 1.00 21.33 C ATOM 1224 CD GLU A 94 -38.856 -48.632 -2.892 1.00 10.34 C ATOM 1225 OE1 GLU A 94 -39.033 -47.601 -2.209 1.00 64.11 O ATOM 1226 OE2 GLU A 94 -38.372 -48.616 -4.043 1.00 41.44 O ATOM 0 H GLU A 94 -39.356 -48.549 1.168 1.00 33.33 H new ATOM 0 HA GLU A 94 -41.151 -49.642 -0.632 1.00 74.52 H new ATOM 0 HB2 GLU A 94 -38.421 -49.172 -0.486 1.00 62.54 H new ATOM 0 HB3 GLU A 94 -38.485 -50.922 -0.534 1.00 62.54 H new ATOM 0 HG2 GLU A 94 -38.658 -50.758 -2.761 1.00 21.33 H new ATOM 0 HG3 GLU A 94 -40.292 -50.173 -2.518 1.00 21.33 H new ATOM 1231 N TYR A 95 -40.080 -51.800 1.605 1.00 12.32 N ATOM 1232 CA TYR A 95 -40.316 -53.122 2.170 1.00 44.43 C ATOM 1233 C TYR A 95 -41.624 -53.153 2.957 1.00 52.52 C ATOM 1234 O TYR A 95 -42.449 -54.049 2.778 1.00 33.44 O ATOM 1235 CB TYR A 95 -39.154 -53.529 3.077 1.00 34.03 C ATOM 1236 CG TYR A 95 -39.475 -54.689 3.993 1.00 33.43 C ATOM 1237 CD1 TYR A 95 -39.449 -55.996 3.525 1.00 43.10 C ATOM 1238 CD2 TYR A 95 -39.804 -54.476 5.326 1.00 44.23 C ATOM 1239 CE1 TYR A 95 -39.743 -57.059 4.357 1.00 24.12 C ATOM 1240 CE2 TYR A 95 -40.099 -55.532 6.167 1.00 75.33 C ATOM 1241 CZ TYR A 95 -40.067 -56.822 5.678 1.00 23.54 C ATOM 1242 OH TYR A 95 -40.359 -57.877 6.510 1.00 70.24 O ATOM 0 H TYR A 95 -39.422 -51.227 2.133 1.00 12.32 H new ATOM 0 HA TYR A 95 -40.390 -53.832 1.346 1.00 44.43 H new ATOM 0 HB2 TYR A 95 -38.297 -53.793 2.458 1.00 34.03 H new ATOM 0 HB3 TYR A 95 -38.859 -52.671 3.681 1.00 34.03 H new ATOM 0 HD1 TYR A 95 -39.195 -56.185 2.493 1.00 43.10 H new ATOM 0 HD2 TYR A 95 -39.830 -53.467 5.712 1.00 44.23 H new ATOM 0 HE1 TYR A 95 -39.720 -58.069 3.976 1.00 24.12 H new ATOM 0 HE2 TYR A 95 -40.353 -55.349 7.201 1.00 75.33 H new ATOM 0 HH TYR A 95 -40.565 -57.539 7.407 1.00 70.24 H new ATOM 1251 N VAL A 96 -41.804 -52.167 3.831 1.00 75.22 N ATOM 1252 CA VAL A 96 -43.010 -52.078 4.643 1.00 4.25 C ATOM 1253 C VAL A 96 -44.156 -51.446 3.861 1.00 3.21 C ATOM 1254 O VAL A 96 -45.151 -52.104 3.557 1.00 64.32 O ATOM 1255 CB VAL A 96 -42.765 -51.258 5.924 1.00 54.12 C ATOM 1256 CG1 VAL A 96 -43.892 -51.475 6.922 1.00 3.42 C ATOM 1257 CG2 VAL A 96 -41.421 -51.620 6.538 1.00 33.13 C ATOM 0 H VAL A 96 -41.129 -51.419 3.994 1.00 75.22 H new ATOM 0 HA VAL A 96 -43.281 -53.097 4.918 1.00 4.25 H new ATOM 0 HB VAL A 96 -42.746 -50.201 5.660 1.00 54.12 H new ATOM 0 HG11 VAL A 96 -43.701 -50.888 7.820 1.00 3.42 H new ATOM 0 HG12 VAL A 96 -44.837 -51.162 6.478 1.00 3.42 H new ATOM 0 HG13 VAL A 96 -43.947 -52.531 7.184 1.00 3.42 H new ATOM 0 HG21 VAL A 96 -41.264 -51.032 7.442 1.00 33.13 H new ATOM 0 HG22 VAL A 96 -41.409 -52.681 6.789 1.00 33.13 H new ATOM 0 HG23 VAL A 96 -40.626 -51.407 5.824 1.00 33.13 H new ATOM 1267 N SER A 97 -44.009 -50.166 3.536 1.00 3.43 N ATOM 1268 CA SER A 97 -45.033 -49.443 2.792 1.00 13.12 C ATOM 1269 C SER A 97 -45.345 -50.147 1.474 1.00 0.33 C ATOM 1270 O SER A 97 -46.415 -49.963 0.898 1.00 65.44 O ATOM 1271 CB SER A 97 -44.578 -48.007 2.520 1.00 63.33 C ATOM 1272 OG SER A 97 -44.057 -47.407 3.693 1.00 32.23 O ATOM 0 H SER A 97 -43.190 -49.608 3.777 1.00 3.43 H new ATOM 0 HA SER A 97 -45.939 -49.421 3.397 1.00 13.12 H new ATOM 0 HB2 SER A 97 -43.818 -48.005 1.738 1.00 63.33 H new ATOM 0 HB3 SER A 97 -45.418 -47.420 2.150 1.00 63.33 H new ATOM 0 HG SER A 97 -44.352 -46.474 3.742 1.00 32.23 H new ATOM 1277 N GLY A 98 -44.400 -50.956 1.005 1.00 50.11 N ATOM 1278 CA GLY A 98 -44.592 -51.676 -0.241 1.00 41.13 C ATOM 1279 C GLY A 98 -45.236 -53.033 -0.032 1.00 31.24 C ATOM 1280 O GLY A 98 -45.794 -53.612 -0.964 1.00 63.41 O ATOM 0 H GLY A 98 -43.506 -51.126 1.465 1.00 50.11 H new ATOM 0 HA2 GLY A 98 -45.214 -51.081 -0.909 1.00 41.13 H new ATOM 0 HA3 GLY A 98 -43.629 -51.806 -0.734 1.00 41.13 H new ATOM 1283 N ARG A 99 -45.156 -53.542 1.193 1.00 14.43 N ATOM 1284 CA ARG A 99 -45.731 -54.841 1.520 1.00 62.44 C ATOM 1285 C ARG A 99 -47.202 -54.702 1.903 1.00 50.53 C ATOM 1286 O ARG A 99 -48.063 -55.402 1.369 1.00 31.50 O ATOM 1287 CB ARG A 99 -44.955 -55.495 2.664 1.00 11.04 C ATOM 1288 CG ARG A 99 -45.738 -56.574 3.393 1.00 33.01 C ATOM 1289 CD ARG A 99 -44.852 -57.756 3.754 1.00 10.21 C ATOM 1290 NE ARG A 99 -44.375 -57.681 5.132 1.00 13.50 N ATOM 1291 CZ ARG A 99 -43.701 -58.658 5.731 1.00 12.21 C ATOM 1292 NH1 ARG A 99 -43.425 -59.776 5.075 1.00 40.53 N ATOM 1293 NH2 ARG A 99 -43.300 -58.515 6.988 1.00 30.01 N ATOM 0 H ARG A 99 -44.698 -53.074 1.976 1.00 14.43 H new ATOM 0 HA ARG A 99 -45.660 -55.474 0.636 1.00 62.44 H new ATOM 0 HB2 ARG A 99 -44.037 -55.929 2.267 1.00 11.04 H new ATOM 0 HB3 ARG A 99 -44.661 -54.726 3.378 1.00 11.04 H new ATOM 0 HG2 ARG A 99 -46.178 -56.157 4.299 1.00 33.01 H new ATOM 0 HG3 ARG A 99 -46.562 -56.914 2.766 1.00 33.01 H new ATOM 0 HD2 ARG A 99 -45.408 -58.683 3.613 1.00 10.21 H new ATOM 0 HD3 ARG A 99 -43.999 -57.790 3.076 1.00 10.21 H new ATOM 0 HE ARG A 99 -44.569 -56.833 5.664 1.00 13.50 H new ATOM 0 HH11 ARG A 99 -43.730 -59.888 4.108 1.00 40.53 H new ATOM 0 HH12 ARG A 99 -42.908 -60.524 5.537 1.00 40.53 H new ATOM 0 HH21 ARG A 99 -43.509 -57.655 7.495 1.00 30.01 H new ATOM 0 HH22 ARG A 99 -42.783 -59.265 7.447 1.00 30.01 H new ATOM 1304 N VAL A 100 -47.483 -53.794 2.833 1.00 61.35 N ATOM 1305 CA VAL A 100 -48.848 -53.563 3.288 1.00 61.30 C ATOM 1306 C VAL A 100 -49.719 -53.022 2.159 1.00 22.14 C ATOM 1307 O VAL A 100 -50.938 -53.201 2.161 1.00 74.11 O ATOM 1308 CB VAL A 100 -48.887 -52.576 4.469 1.00 51.23 C ATOM 1309 CG1 VAL A 100 -50.306 -52.427 4.995 1.00 65.21 C ATOM 1310 CG2 VAL A 100 -47.945 -53.031 5.575 1.00 62.43 C ATOM 0 H VAL A 100 -46.783 -53.207 3.286 1.00 61.35 H new ATOM 0 HA VAL A 100 -49.239 -54.526 3.616 1.00 61.30 H new ATOM 0 HB VAL A 100 -48.552 -51.601 4.115 1.00 51.23 H new ATOM 0 HG11 VAL A 100 -50.313 -51.726 5.829 1.00 65.21 H new ATOM 0 HG12 VAL A 100 -50.951 -52.052 4.200 1.00 65.21 H new ATOM 0 HG13 VAL A 100 -50.672 -53.396 5.333 1.00 65.21 H new ATOM 0 HG21 VAL A 100 -47.985 -52.322 6.402 1.00 62.43 H new ATOM 0 HG22 VAL A 100 -48.247 -54.017 5.928 1.00 62.43 H new ATOM 0 HG23 VAL A 100 -46.927 -53.080 5.188 1.00 62.43 H new ATOM 1320 N HIS A 101 -49.087 -52.359 1.196 1.00 53.33 N ATOM 1321 CA HIS A 101 -49.804 -51.792 0.060 1.00 73.24 C ATOM 1322 C HIS A 101 -50.297 -52.892 -0.875 1.00 74.41 C ATOM 1323 O HIS A 101 -51.320 -52.743 -1.541 1.00 24.43 O ATOM 1324 CB HIS A 101 -48.903 -50.822 -0.706 1.00 42.21 C ATOM 1325 CG HIS A 101 -49.024 -49.402 -0.243 1.00 14.23 C ATOM 1326 ND1 HIS A 101 -48.566 -48.330 -0.979 1.00 14.44 N ATOM 1327 CD2 HIS A 101 -49.556 -48.881 0.888 1.00 72.23 C ATOM 1328 CE1 HIS A 101 -48.808 -47.211 -0.320 1.00 64.24 C ATOM 1329 NE2 HIS A 101 -49.409 -47.518 0.816 1.00 22.54 N ATOM 0 H HIS A 101 -48.079 -52.201 1.180 1.00 53.33 H new ATOM 0 HA HIS A 101 -50.669 -51.249 0.442 1.00 73.24 H new ATOM 0 HB2 HIS A 101 -47.866 -51.143 -0.602 1.00 42.21 H new ATOM 0 HB3 HIS A 101 -49.148 -50.872 -1.767 1.00 42.21 H new ATOM 0 HD2 HIS A 101 -50.011 -49.435 1.696 1.00 72.23 H new ATOM 0 HE1 HIS A 101 -48.557 -46.215 -0.653 1.00 64.24 H new ATOM 0 HE2 HIS A 101 -49.714 -46.851 1.524 1.00 22.54 H new