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= -0.073 X(o=-0.073,f=-0.5) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= -0.622 (180deg=-0.694) 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= -0.0119 X(o=-0.012,f=-0.012) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 57 HIS : no HD1:sc= -0.274 X(o=-0.27,f=0) 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+ 179:sc= 0 (180deg=-0.00149) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.473 F(o=-3.8!,f=-0.47) USER MOD Single : A 77 GLN :FLIP amide:sc= 0 F(o=-2,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.261 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -150:sc= -0.14 (180deg=-0.753) USER MOD Single : A 90 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.1!) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.723 32.016 17.078 1.00 62.25 N ATOM 281 CA LYS A 23 -6.911 31.397 16.502 1.00 23.23 C ATOM 282 C LYS A 23 -6.623 30.866 15.102 1.00 31.41 C ATOM 283 O LYS A 23 -6.506 29.657 14.898 1.00 43.43 O ATOM 284 CB LYS A 23 -8.062 32.404 16.450 1.00 13.42 C ATOM 285 CG LYS A 23 -7.612 33.829 16.181 1.00 21.55 C ATOM 286 CD LYS A 23 -7.725 34.694 17.425 1.00 15.10 C ATOM 287 CE LYS A 23 -9.031 35.473 17.446 1.00 44.13 C ATOM 288 NZ LYS A 23 -8.799 36.944 17.465 1.00 51.02 N ATOM 0 HA LYS A 23 -7.198 30.559 17.138 1.00 23.23 H new ATOM 0 HB2 LYS A 23 -8.764 32.101 15.673 1.00 13.42 H new ATOM 0 HB3 LYS A 23 -8.602 32.375 17.396 1.00 13.42 H new ATOM 0 HG2 LYS A 23 -6.579 33.826 15.832 1.00 21.55 H new ATOM 0 HG3 LYS A 23 -8.217 34.258 15.382 1.00 21.55 H new ATOM 0 HD2 LYS A 23 -7.661 34.066 18.313 1.00 15.10 H new ATOM 0 HD3 LYS A 23 -6.886 35.388 17.464 1.00 15.10 H new ATOM 0 HE2 LYS A 23 -9.625 35.210 16.570 1.00 44.13 H new ATOM 0 HE3 LYS A 23 -9.611 35.185 18.323 1.00 44.13 H new ATOM 0 HZ1 LYS A 23 -9.713 37.439 17.479 1.00 51.02 H new ATOM 0 HZ2 LYS A 23 -8.254 37.199 18.314 1.00 51.02 H new ATOM 0 HZ3 LYS A 23 -8.267 37.223 16.616 1.00 51.02 H new ATOM 298 N SER A 24 -6.507 31.776 14.140 1.00 41.20 N ATOM 299 CA SER A 24 -6.235 31.399 12.759 1.00 41.15 C ATOM 300 C SER A 24 -5.201 30.279 12.695 1.00 41.02 C ATOM 301 O SER A 24 -5.213 29.458 11.778 1.00 64.54 O ATOM 302 CB SER A 24 -5.742 32.610 11.965 1.00 63.44 C ATOM 303 OG SER A 24 -6.752 33.096 11.096 1.00 14.35 O ATOM 0 H SER A 24 -6.597 32.780 14.293 1.00 41.20 H new ATOM 0 HA SER A 24 -7.164 31.038 12.317 1.00 41.15 H new ATOM 0 HB2 SER A 24 -5.438 33.400 12.652 1.00 63.44 H new ATOM 0 HB3 SER A 24 -4.861 32.335 11.386 1.00 63.44 H new ATOM 0 HG SER A 24 -6.413 33.871 10.601 1.00 14.35 H new ATOM 308 N TYR A 25 -4.305 30.253 13.677 1.00 43.44 N ATOM 309 CA TYR A 25 -3.262 29.237 13.732 1.00 34.12 C ATOM 310 C TYR A 25 -3.774 27.966 14.406 1.00 25.44 C ATOM 311 O TYR A 25 -3.737 26.884 13.823 1.00 15.33 O ATOM 312 CB TYR A 25 -2.041 29.770 14.484 1.00 73.44 C ATOM 313 CG TYR A 25 -1.413 30.983 13.835 1.00 73.44 C ATOM 314 CD1 TYR A 25 -2.119 32.173 13.712 1.00 61.15 C ATOM 315 CD2 TYR A 25 -0.113 30.938 13.347 1.00 41.43 C ATOM 316 CE1 TYR A 25 -1.550 33.283 13.119 1.00 21.25 C ATOM 317 CE2 TYR A 25 0.465 32.045 12.754 1.00 71.50 C ATOM 318 CZ TYR A 25 -0.257 33.214 12.642 1.00 52.44 C ATOM 319 OH TYR A 25 0.314 34.318 12.053 1.00 64.21 O ATOM 0 H TYR A 25 -4.281 30.924 14.445 1.00 43.44 H new ATOM 0 HA TYR A 25 -2.973 28.993 12.710 1.00 34.12 H new ATOM 0 HB2 TYR A 25 -2.334 30.024 15.503 1.00 73.44 H new ATOM 0 HB3 TYR A 25 -1.295 28.979 14.555 1.00 73.44 H new ATOM 0 HD1 TYR A 25 -3.130 32.231 14.087 1.00 61.15 H new ATOM 0 HD2 TYR A 25 0.455 30.024 13.432 1.00 41.43 H new ATOM 0 HE1 TYR A 25 -2.114 34.200 13.029 1.00 21.25 H new ATOM 0 HE2 TYR A 25 1.477 31.994 12.380 1.00 71.50 H new ATOM 0 HH TYR A 25 1.228 34.103 11.773 1.00 64.21 H new ATOM 328 N ALA A 26 -4.250 28.109 15.639 1.00 45.10 N ATOM 329 CA ALA A 26 -4.772 26.976 16.392 1.00 22.01 C ATOM 330 C ALA A 26 -6.105 26.504 15.822 1.00 62.43 C ATOM 331 O ALA A 26 -6.298 25.313 15.578 1.00 43.42 O ATOM 332 CB ALA A 26 -4.925 27.345 17.860 1.00 55.20 C ATOM 0 H ALA A 26 -4.285 28.998 16.137 1.00 45.10 H new ATOM 0 HA ALA A 26 -4.060 26.155 16.306 1.00 22.01 H new ATOM 0 HB1 ALA A 26 -5.316 26.490 18.411 1.00 55.20 H new ATOM 0 HB2 ALA A 26 -3.954 27.626 18.268 1.00 55.20 H new ATOM 0 HB3 ALA A 26 -5.615 28.184 17.954 1.00 55.20 H new ATOM 338 N GLU A 27 -7.020 27.445 15.611 1.00 22.43 N ATOM 339 CA GLU A 27 -8.335 27.123 15.069 1.00 33.33 C ATOM 340 C GLU A 27 -8.212 26.231 13.837 1.00 62.25 C ATOM 341 O GLU A 27 -8.777 25.138 13.792 1.00 64.43 O ATOM 342 CB GLU A 27 -9.091 28.404 14.713 1.00 42.14 C ATOM 343 CG GLU A 27 -10.538 28.164 14.311 1.00 51.12 C ATOM 344 CD GLU A 27 -11.522 28.697 15.334 1.00 42.00 C ATOM 345 OE1 GLU A 27 -11.651 29.934 15.447 1.00 65.21 O ATOM 346 OE2 GLU A 27 -12.164 27.876 16.022 1.00 50.23 O ATOM 0 H GLU A 27 -6.875 28.435 15.807 1.00 22.43 H new ATOM 0 HA GLU A 27 -8.893 26.581 15.833 1.00 33.33 H new ATOM 0 HB2 GLU A 27 -9.067 29.080 15.568 1.00 42.14 H new ATOM 0 HB3 GLU A 27 -8.574 28.906 13.895 1.00 42.14 H new ATOM 0 HG2 GLU A 27 -10.727 28.638 13.348 1.00 51.12 H new ATOM 0 HG3 GLU A 27 -10.702 27.095 14.177 1.00 51.12 H new ATOM 351 N GLN A 28 -7.472 26.706 12.841 1.00 32.33 N ATOM 352 CA GLN A 28 -7.276 25.953 11.608 1.00 50.12 C ATOM 353 C GLN A 28 -6.866 24.515 11.908 1.00 53.25 C ATOM 354 O GLN A 28 -7.256 23.587 11.199 1.00 23.22 O ATOM 355 CB GLN A 28 -6.216 26.626 10.736 1.00 1.05 C ATOM 356 CG GLN A 28 -6.794 27.406 9.567 1.00 65.13 C ATOM 357 CD GLN A 28 -5.883 27.403 8.355 1.00 11.11 C ATOM 358 OE1 GLN A 28 -5.329 26.369 7.984 1.00 62.50 O ATOM 359 NE2 GLN A 28 -5.724 28.564 7.731 1.00 4.31 N ATOM 0 H GLN A 28 -6.998 27.609 12.864 1.00 32.33 H new ATOM 0 HA GLN A 28 -8.223 25.937 11.068 1.00 50.12 H new ATOM 0 HB2 GLN A 28 -5.624 27.301 11.354 1.00 1.05 H new ATOM 0 HB3 GLN A 28 -5.536 25.865 10.353 1.00 1.05 H new ATOM 0 HG2 GLN A 28 -7.759 26.980 9.292 1.00 65.13 H new ATOM 0 HG3 GLN A 28 -6.977 28.435 9.877 1.00 65.13 H new ATOM 0 HE21 GLN A 28 -6.203 29.397 8.073 1.00 4.31 H new ATOM 0 HE22 GLN A 28 -5.123 28.623 6.909 1.00 4.31 H new ATOM 366 N GLY A 29 -6.077 24.337 12.963 1.00 41.42 N ATOM 367 CA GLY A 29 -5.628 23.009 13.337 1.00 0.54 C ATOM 368 C GLY A 29 -6.713 22.201 14.023 1.00 13.04 C ATOM 369 O GLY A 29 -6.780 20.982 13.869 1.00 75.12 O ATOM 0 H GLY A 29 -5.741 25.089 13.565 1.00 41.42 H new ATOM 0 HA2 GLY A 29 -5.292 22.478 12.446 1.00 0.54 H new ATOM 0 HA3 GLY A 29 -4.768 23.093 14.001 1.00 0.54 H new ATOM 372 N LYS A 30 -7.563 22.882 14.784 1.00 22.11 N ATOM 373 CA LYS A 30 -8.650 22.221 15.497 1.00 61.04 C ATOM 374 C LYS A 30 -9.788 21.867 14.545 1.00 55.11 C ATOM 375 O LYS A 30 -10.272 20.735 14.537 1.00 21.02 O ATOM 376 CB LYS A 30 -9.171 23.120 16.620 1.00 14.03 C ATOM 377 CG LYS A 30 -8.714 22.691 18.004 1.00 74.54 C ATOM 378 CD LYS A 30 -7.435 23.402 18.414 1.00 43.32 C ATOM 379 CE LYS A 30 -7.730 24.665 19.209 1.00 51.42 C ATOM 380 NZ LYS A 30 -8.517 25.650 18.415 1.00 72.42 N ATOM 0 H LYS A 30 -7.520 23.892 14.923 1.00 22.11 H new ATOM 0 HA LYS A 30 -8.261 21.299 15.929 1.00 61.04 H new ATOM 0 HB2 LYS A 30 -8.841 24.143 16.438 1.00 14.03 H new ATOM 0 HB3 LYS A 30 -10.261 23.127 16.592 1.00 14.03 H new ATOM 0 HG2 LYS A 30 -9.499 22.904 18.730 1.00 74.54 H new ATOM 0 HG3 LYS A 30 -8.552 21.613 18.017 1.00 74.54 H new ATOM 0 HD2 LYS A 30 -6.819 22.730 19.012 1.00 43.32 H new ATOM 0 HD3 LYS A 30 -6.858 23.657 17.525 1.00 43.32 H new ATOM 0 HE2 LYS A 30 -8.281 24.405 20.113 1.00 51.42 H new ATOM 0 HE3 LYS A 30 -6.792 25.121 19.527 1.00 51.42 H new ATOM 0 HZ1 LYS A 30 -8.625 26.529 18.960 1.00 72.42 H new ATOM 0 HZ2 LYS A 30 -8.020 25.854 17.524 1.00 72.42 H new ATOM 0 HZ3 LYS A 30 -9.456 25.256 18.205 1.00 72.42 H new ATOM 390 N GLU A 31 -10.210 22.841 13.745 1.00 3.10 N ATOM 391 CA GLU A 31 -11.291 22.631 12.789 1.00 75.15 C ATOM 392 C GLU A 31 -11.091 21.327 12.020 1.00 20.23 C ATOM 393 O GLU A 31 -12.056 20.674 11.623 1.00 31.32 O ATOM 394 CB GLU A 31 -11.375 23.804 11.812 1.00 30.11 C ATOM 395 CG GLU A 31 -10.103 24.019 11.008 1.00 54.20 C ATOM 396 CD GLU A 31 -10.292 25.002 9.869 1.00 12.43 C ATOM 397 OE1 GLU A 31 -11.068 25.966 10.039 1.00 31.32 O ATOM 398 OE2 GLU A 31 -9.663 24.807 8.809 1.00 24.42 O ATOM 0 H GLU A 31 -9.820 23.783 13.740 1.00 3.10 H new ATOM 0 HA GLU A 31 -12.226 22.566 13.346 1.00 75.15 H new ATOM 0 HB2 GLU A 31 -12.205 23.635 11.125 1.00 30.11 H new ATOM 0 HB3 GLU A 31 -11.601 24.714 12.368 1.00 30.11 H new ATOM 0 HG2 GLU A 31 -9.316 24.382 11.670 1.00 54.20 H new ATOM 0 HG3 GLU A 31 -9.766 23.064 10.606 1.00 54.20 H new ATOM 403 N TYR A 32 -9.833 20.957 11.813 1.00 23.51 N ATOM 404 CA TYR A 32 -9.504 19.734 11.089 1.00 5.54 C ATOM 405 C TYR A 32 -9.652 18.512 11.989 1.00 13.12 C ATOM 406 O TYR A 32 -10.100 17.453 11.548 1.00 60.43 O ATOM 407 CB TYR A 32 -8.078 19.809 10.541 1.00 10.20 C ATOM 408 CG TYR A 32 -7.602 18.518 9.915 1.00 62.22 C ATOM 409 CD1 TYR A 32 -7.335 17.401 10.696 1.00 73.45 C ATOM 410 CD2 TYR A 32 -7.421 18.415 8.540 1.00 50.32 C ATOM 411 CE1 TYR A 32 -6.900 16.219 10.127 1.00 31.24 C ATOM 412 CE2 TYR A 32 -6.987 17.237 7.962 1.00 12.45 C ATOM 413 CZ TYR A 32 -6.728 16.142 8.760 1.00 34.24 C ATOM 414 OH TYR A 32 -6.295 14.967 8.190 1.00 43.12 O ATOM 0 H TYR A 32 -9.023 21.486 12.136 1.00 23.51 H new ATOM 0 HA TYR A 32 -10.201 19.636 10.257 1.00 5.54 H new ATOM 0 HB2 TYR A 32 -8.025 20.605 9.798 1.00 10.20 H new ATOM 0 HB3 TYR A 32 -7.401 20.082 11.350 1.00 10.20 H new ATOM 0 HD1 TYR A 32 -7.470 17.457 11.766 1.00 73.45 H new ATOM 0 HD2 TYR A 32 -7.623 19.271 7.913 1.00 50.32 H new ATOM 0 HE1 TYR A 32 -6.696 15.360 10.749 1.00 31.24 H new ATOM 0 HE2 TYR A 32 -6.851 17.174 6.892 1.00 12.45 H new ATOM 0 HH TYR A 32 -6.227 15.080 7.219 1.00 43.12 H new ATOM 423 N ILE A 33 -9.274 18.667 13.253 1.00 10.33 N ATOM 424 CA ILE A 33 -9.367 17.577 14.217 1.00 23.53 C ATOM 425 C ILE A 33 -10.780 17.456 14.777 1.00 62.31 C ATOM 426 O ILE A 33 -11.422 16.412 14.656 1.00 34.34 O ATOM 427 CB ILE A 33 -8.379 17.771 15.382 1.00 15.45 C ATOM 428 CG1 ILE A 33 -6.982 17.296 14.981 1.00 60.33 C ATOM 429 CG2 ILE A 33 -8.864 17.025 16.617 1.00 61.31 C ATOM 430 CD1 ILE A 33 -6.343 18.141 13.900 1.00 53.01 C ATOM 0 H ILE A 33 -8.900 19.536 13.634 1.00 10.33 H new ATOM 0 HA ILE A 33 -9.112 16.661 13.684 1.00 23.53 H new ATOM 0 HB ILE A 33 -8.326 18.833 15.620 1.00 15.45 H new ATOM 0 HG12 ILE A 33 -6.339 17.300 15.861 1.00 60.33 H new ATOM 0 HG13 ILE A 33 -7.043 16.264 14.636 1.00 60.33 H new ATOM 0 HG21 ILE A 33 -8.155 17.171 17.432 1.00 61.31 H new ATOM 0 HG22 ILE A 33 -9.841 17.407 16.913 1.00 61.31 H new ATOM 0 HG23 ILE A 33 -8.943 15.961 16.392 1.00 61.31 H new ATOM 0 HD11 ILE A 33 -5.354 17.746 13.666 1.00 53.01 H new ATOM 0 HD12 ILE A 33 -6.964 18.117 13.005 1.00 53.01 H new ATOM 0 HD13 ILE A 33 -6.249 19.169 14.250 1.00 53.01 H new ATOM 441 N THR A 34 -11.262 18.534 15.390 1.00 33.02 N ATOM 442 CA THR A 34 -12.599 18.550 15.968 1.00 73.22 C ATOM 443 C THR A 34 -13.572 17.733 15.126 1.00 73.13 C ATOM 444 O THR A 34 -14.314 16.900 15.649 1.00 64.10 O ATOM 445 CB THR A 34 -13.136 19.987 16.104 1.00 23.14 C ATOM 446 OG1 THR A 34 -14.506 19.962 16.519 1.00 73.34 O ATOM 447 CG2 THR A 34 -13.014 20.736 14.786 1.00 65.15 C ATOM 0 H THR A 34 -10.745 19.407 15.498 1.00 33.02 H new ATOM 0 HA THR A 34 -12.519 18.105 16.960 1.00 73.22 H new ATOM 0 HB THR A 34 -12.539 20.504 16.855 1.00 23.14 H new ATOM 0 HG1 THR A 34 -14.839 20.880 16.604 1.00 73.34 H new ATOM 0 HG21 THR A 34 -13.399 21.749 14.906 1.00 65.15 H new ATOM 0 HG22 THR A 34 -11.966 20.779 14.488 1.00 65.15 H new ATOM 0 HG23 THR A 34 -13.589 20.218 14.018 1.00 65.15 H new ATOM 604 N PRO A 46 -12.197 -0.770 18.441 1.00 32.24 N ATOM 605 CA PRO A 46 -12.069 -1.869 17.478 1.00 4.32 C ATOM 606 C PRO A 46 -13.141 -2.935 17.671 1.00 51.42 C ATOM 607 O PRO A 46 -13.386 -3.749 16.780 1.00 40.30 O ATOM 608 CB PRO A 46 -10.682 -2.444 17.777 1.00 55.51 C ATOM 609 CG PRO A 46 -10.424 -2.089 19.201 1.00 61.33 C ATOM 610 CD PRO A 46 -11.103 -0.766 19.428 1.00 3.10 C ATOM 0 HA PRO A 46 -12.190 -1.527 16.450 1.00 4.32 H new ATOM 0 HB2 PRO A 46 -10.660 -3.524 17.628 1.00 55.51 H new ATOM 0 HB3 PRO A 46 -9.926 -2.016 17.119 1.00 55.51 H new ATOM 0 HG2 PRO A 46 -10.821 -2.851 19.871 1.00 61.33 H new ATOM 0 HG3 PRO A 46 -9.354 -2.017 19.398 1.00 61.33 H new ATOM 0 HD2 PRO A 46 -11.481 -0.678 20.447 1.00 3.10 H new ATOM 0 HD3 PRO A 46 -10.420 0.069 19.268 1.00 3.10 H new ATOM 615 N GLU A 47 -13.777 -2.925 18.838 1.00 2.23 N ATOM 616 CA GLU A 47 -14.824 -3.893 19.146 1.00 20.23 C ATOM 617 C GLU A 47 -16.190 -3.378 18.700 1.00 34.44 C ATOM 618 O GLU A 47 -17.206 -4.047 18.884 1.00 12.31 O ATOM 619 CB GLU A 47 -14.845 -4.195 20.646 1.00 2.10 C ATOM 620 CG GLU A 47 -13.465 -4.412 21.243 1.00 61.43 C ATOM 621 CD GLU A 47 -13.515 -5.090 22.598 1.00 50.42 C ATOM 622 OE1 GLU A 47 -14.090 -4.499 23.536 1.00 33.43 O ATOM 623 OE2 GLU A 47 -12.981 -6.212 22.720 1.00 71.33 O ATOM 0 H GLU A 47 -13.586 -2.258 19.586 1.00 2.23 H new ATOM 0 HA GLU A 47 -14.606 -4.811 18.601 1.00 20.23 H new ATOM 0 HB2 GLU A 47 -15.331 -3.370 21.167 1.00 2.10 H new ATOM 0 HB3 GLU A 47 -15.451 -5.084 20.821 1.00 2.10 H new ATOM 0 HG2 GLU A 47 -12.869 -5.017 20.560 1.00 61.43 H new ATOM 0 HG3 GLU A 47 -12.960 -3.451 21.340 1.00 61.43 H new ATOM 628 N ASP A 48 -16.202 -2.187 18.114 1.00 44.42 N ATOM 629 CA ASP A 48 -17.443 -1.581 17.641 1.00 72.42 C ATOM 630 C ASP A 48 -17.766 -2.044 16.224 1.00 42.41 C ATOM 631 O ASP A 48 -18.687 -1.531 15.589 1.00 42.31 O ATOM 632 CB ASP A 48 -17.338 -0.056 17.681 1.00 2.24 C ATOM 633 CG ASP A 48 -18.694 0.618 17.619 1.00 2.53 C ATOM 634 OD1 ASP A 48 -19.571 0.265 18.435 1.00 55.32 O ATOM 635 OD2 ASP A 48 -18.879 1.502 16.755 1.00 34.34 O ATOM 0 H ASP A 48 -15.368 -1.621 17.955 1.00 44.42 H new ATOM 0 HA ASP A 48 -18.250 -1.899 18.301 1.00 72.42 H new ATOM 0 HB2 ASP A 48 -16.826 0.246 18.595 1.00 2.24 H new ATOM 0 HB3 ASP A 48 -16.727 0.286 16.845 1.00 2.24 H new ATOM 639 N ASN A 49 -17.003 -3.015 15.734 1.00 21.32 N ATOM 640 CA ASN A 49 -17.208 -3.545 14.391 1.00 34.23 C ATOM 641 C ASN A 49 -18.604 -4.146 14.251 1.00 24.23 C ATOM 642 O ASN A 49 -19.138 -4.252 13.147 1.00 24.41 O ATOM 643 CB ASN A 49 -16.150 -4.603 14.071 1.00 74.03 C ATOM 644 CG ASN A 49 -16.270 -5.130 12.655 1.00 71.22 C ATOM 645 OD1 ASN A 49 -16.010 -4.412 11.689 1.00 52.21 O ATOM 646 ND2 ASN A 49 -16.666 -6.391 12.524 1.00 75.12 N ATOM 0 H ASN A 49 -16.237 -3.451 16.247 1.00 21.32 H new ATOM 0 HA ASN A 49 -17.114 -2.721 13.683 1.00 34.23 H new ATOM 0 HB2 ASN A 49 -15.158 -4.175 14.214 1.00 74.03 H new ATOM 0 HB3 ASN A 49 -16.244 -5.431 14.773 1.00 74.03 H new ATOM 0 HD21 ASN A 49 -16.765 -6.801 11.595 1.00 75.12 H new ATOM 0 HD22 ASN A 49 -16.871 -6.950 13.352 1.00 75.12 H new ATOM 652 N LYS A 50 -19.188 -4.538 15.377 1.00 53.21 N ATOM 653 CA LYS A 50 -20.522 -5.126 15.383 1.00 65.35 C ATOM 654 C LYS A 50 -21.592 -4.049 15.537 1.00 54.14 C ATOM 655 O LYS A 50 -22.696 -4.177 15.008 1.00 24.15 O ATOM 656 CB LYS A 50 -20.647 -6.150 16.514 1.00 21.44 C ATOM 657 CG LYS A 50 -20.499 -7.588 16.051 1.00 61.55 C ATOM 658 CD LYS A 50 -19.373 -8.298 16.785 1.00 61.12 C ATOM 659 CE LYS A 50 -19.427 -9.803 16.568 1.00 4.42 C ATOM 660 NZ LYS A 50 -19.299 -10.552 17.848 1.00 34.21 N ATOM 0 H LYS A 50 -18.758 -4.459 16.299 1.00 53.21 H new ATOM 0 HA LYS A 50 -20.673 -5.629 14.428 1.00 65.35 H new ATOM 0 HB2 LYS A 50 -19.889 -5.940 17.268 1.00 21.44 H new ATOM 0 HB3 LYS A 50 -21.617 -6.030 16.996 1.00 21.44 H new ATOM 0 HG2 LYS A 50 -21.435 -8.122 16.215 1.00 61.55 H new ATOM 0 HG3 LYS A 50 -20.305 -7.608 14.979 1.00 61.55 H new ATOM 0 HD2 LYS A 50 -18.413 -7.914 16.440 1.00 61.12 H new ATOM 0 HD3 LYS A 50 -19.438 -8.081 17.851 1.00 61.12 H new ATOM 0 HE2 LYS A 50 -20.368 -10.067 16.085 1.00 4.42 H new ATOM 0 HE3 LYS A 50 -18.627 -10.101 15.891 1.00 4.42 H new ATOM 0 HZ1 LYS A 50 -19.340 -11.574 17.658 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 -18.390 -10.320 18.297 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 -20.077 -10.287 18.485 1.00 34.21 H new ATOM 670 N GLY A 51 -21.257 -2.989 16.265 1.00 63.50 N ATOM 671 CA GLY A 51 -22.199 -1.905 16.474 1.00 22.22 C ATOM 672 C GLY A 51 -22.802 -1.403 15.177 1.00 3.24 C ATOM 673 O GLY A 51 -23.910 -0.868 15.166 1.00 4.42 O ATOM 0 H GLY A 51 -20.350 -2.861 16.714 1.00 63.50 H new ATOM 0 HA2 GLY A 51 -22.997 -2.243 17.135 1.00 22.22 H new ATOM 0 HA3 GLY A 51 -21.694 -1.081 16.979 1.00 22.22 H new ATOM 676 N VAL A 52 -22.070 -1.573 14.080 1.00 52.42 N ATOM 677 CA VAL A 52 -22.539 -1.132 12.772 1.00 50.34 C ATOM 678 C VAL A 52 -23.715 -1.979 12.297 1.00 61.33 C ATOM 679 O VAL A 52 -24.663 -1.466 11.703 1.00 42.45 O ATOM 680 CB VAL A 52 -21.415 -1.198 11.722 1.00 43.21 C ATOM 681 CG1 VAL A 52 -20.231 -0.347 12.154 1.00 70.43 C ATOM 682 CG2 VAL A 52 -20.990 -2.639 11.486 1.00 62.54 C ATOM 0 H VAL A 52 -21.150 -2.013 14.072 1.00 52.42 H new ATOM 0 HA VAL A 52 -22.862 -0.097 12.883 1.00 50.34 H new ATOM 0 HB VAL A 52 -21.795 -0.798 10.782 1.00 43.21 H new ATOM 0 HG11 VAL A 52 -19.446 -0.406 11.400 1.00 70.43 H new ATOM 0 HG12 VAL A 52 -20.550 0.689 12.266 1.00 70.43 H new ATOM 0 HG13 VAL A 52 -19.847 -0.714 13.106 1.00 70.43 H new ATOM 0 HG21 VAL A 52 -20.195 -2.666 10.741 1.00 62.54 H new ATOM 0 HG22 VAL A 52 -20.627 -3.069 12.420 1.00 62.54 H new ATOM 0 HG23 VAL A 52 -21.843 -3.216 11.128 1.00 62.54 H new ATOM 692 N PHE A 53 -23.646 -3.279 12.562 1.00 63.34 N ATOM 693 CA PHE A 53 -24.704 -4.198 12.160 1.00 60.32 C ATOM 694 C PHE A 53 -25.779 -4.295 13.238 1.00 72.11 C ATOM 695 O PHE A 53 -26.811 -4.938 13.046 1.00 64.42 O ATOM 696 CB PHE A 53 -24.124 -5.586 11.876 1.00 54.30 C ATOM 697 CG PHE A 53 -23.208 -5.621 10.686 1.00 34.23 C ATOM 698 CD1 PHE A 53 -23.722 -5.616 9.400 1.00 35.13 C ATOM 699 CD2 PHE A 53 -21.833 -5.659 10.855 1.00 10.32 C ATOM 700 CE1 PHE A 53 -22.882 -5.648 8.303 1.00 70.54 C ATOM 701 CE2 PHE A 53 -20.988 -5.690 9.762 1.00 71.22 C ATOM 702 CZ PHE A 53 -21.513 -5.686 8.484 1.00 75.34 C ATOM 0 H PHE A 53 -22.869 -3.720 13.053 1.00 63.34 H new ATOM 0 HA PHE A 53 -25.161 -3.810 11.250 1.00 60.32 H new ATOM 0 HB2 PHE A 53 -23.578 -5.930 12.755 1.00 54.30 H new ATOM 0 HB3 PHE A 53 -24.943 -6.287 11.715 1.00 54.30 H new ATOM 0 HD1 PHE A 53 -24.792 -5.587 9.253 1.00 35.13 H new ATOM 0 HD2 PHE A 53 -21.417 -5.664 11.852 1.00 10.32 H new ATOM 0 HE1 PHE A 53 -23.295 -5.643 7.305 1.00 70.54 H new ATOM 0 HE2 PHE A 53 -19.918 -5.717 9.907 1.00 71.22 H new ATOM 0 HZ PHE A 53 -20.855 -5.713 7.628 1.00 75.34 H new ATOM 711 N GLN A 54 -25.528 -3.652 14.374 1.00 15.53 N ATOM 712 CA GLN A 54 -26.474 -3.666 15.484 1.00 52.11 C ATOM 713 C GLN A 54 -27.826 -3.104 15.056 1.00 33.42 C ATOM 714 O GLN A 54 -28.858 -3.427 15.642 1.00 71.23 O ATOM 715 CB GLN A 54 -25.923 -2.859 16.661 1.00 52.23 C ATOM 716 CG GLN A 54 -26.927 -2.659 17.784 1.00 53.40 C ATOM 717 CD GLN A 54 -27.266 -3.950 18.503 1.00 35.50 C ATOM 718 OE1 GLN A 54 -26.412 -4.823 18.671 1.00 44.24 O ATOM 719 NE2 GLN A 54 -28.515 -4.080 18.932 1.00 41.32 N ATOM 0 H GLN A 54 -24.679 -3.115 14.550 1.00 15.53 H new ATOM 0 HA GLN A 54 -26.614 -4.701 15.795 1.00 52.11 H new ATOM 0 HB2 GLN A 54 -25.043 -3.365 17.058 1.00 52.23 H new ATOM 0 HB3 GLN A 54 -25.595 -1.884 16.300 1.00 52.23 H new ATOM 0 HG2 GLN A 54 -26.526 -1.943 18.501 1.00 53.40 H new ATOM 0 HG3 GLN A 54 -27.840 -2.224 17.377 1.00 53.40 H new ATOM 0 HE21 GLN A 54 -29.190 -3.332 18.771 1.00 41.32 H new ATOM 0 HE22 GLN A 54 -28.800 -4.928 19.422 1.00 41.32 H new ATOM 726 N GLY A 55 -27.811 -2.261 14.028 1.00 12.42 N ATOM 727 CA GLY A 55 -29.042 -1.667 13.539 1.00 32.33 C ATOM 728 C GLY A 55 -29.688 -2.491 12.444 1.00 65.32 C ATOM 729 O GLY A 55 -30.881 -2.787 12.501 1.00 55.44 O ATOM 0 H GLY A 55 -26.969 -1.979 13.525 1.00 12.42 H new ATOM 0 HA2 GLY A 55 -29.742 -1.556 14.367 1.00 32.33 H new ATOM 0 HA3 GLY A 55 -28.834 -0.666 13.161 1.00 32.33 H new ATOM 732 N VAL A 56 -28.899 -2.861 11.439 1.00 35.24 N ATOM 733 CA VAL A 56 -29.400 -3.655 10.325 1.00 34.02 C ATOM 734 C VAL A 56 -29.855 -5.033 10.793 1.00 74.01 C ATOM 735 O VAL A 56 -30.834 -5.582 10.286 1.00 63.21 O ATOM 736 CB VAL A 56 -28.330 -3.824 9.230 1.00 53.13 C ATOM 737 CG1 VAL A 56 -27.938 -2.473 8.653 1.00 34.34 C ATOM 738 CG2 VAL A 56 -27.113 -4.552 9.782 1.00 0.40 C ATOM 0 H VAL A 56 -27.909 -2.623 11.375 1.00 35.24 H new ATOM 0 HA VAL A 56 -30.252 -3.116 9.910 1.00 34.02 H new ATOM 0 HB VAL A 56 -28.751 -4.427 8.425 1.00 53.13 H new ATOM 0 HG11 VAL A 56 -27.181 -2.613 7.881 1.00 34.34 H new ATOM 0 HG12 VAL A 56 -28.816 -1.995 8.218 1.00 34.34 H new ATOM 0 HG13 VAL A 56 -27.536 -1.842 9.445 1.00 34.34 H new ATOM 0 HG21 VAL A 56 -26.367 -4.663 8.995 1.00 0.40 H new ATOM 0 HG22 VAL A 56 -26.689 -3.978 10.606 1.00 0.40 H new ATOM 0 HG23 VAL A 56 -27.410 -5.537 10.141 1.00 0.40 H new ATOM 748 N HIS A 57 -29.139 -5.588 11.765 1.00 32.34 N ATOM 749 CA HIS A 57 -29.469 -6.903 12.304 1.00 71.05 C ATOM 750 C HIS A 57 -30.946 -6.982 12.676 1.00 5.12 C ATOM 751 O HIS A 57 -31.653 -7.900 12.260 1.00 64.34 O ATOM 752 CB HIS A 57 -28.606 -7.208 13.528 1.00 24.14 C ATOM 753 CG HIS A 57 -28.818 -8.582 14.084 1.00 15.11 C ATOM 754 ND1 HIS A 57 -27.931 -9.619 13.888 1.00 64.15 N ATOM 755 CD2 HIS A 57 -29.824 -9.087 14.836 1.00 22.31 C ATOM 756 CE1 HIS A 57 -28.383 -10.703 14.493 1.00 63.45 C ATOM 757 NE2 HIS A 57 -29.530 -10.407 15.076 1.00 34.22 N ATOM 0 H HIS A 57 -28.326 -5.148 12.196 1.00 32.34 H new ATOM 0 HA HIS A 57 -29.266 -7.646 11.532 1.00 71.05 H new ATOM 0 HB2 HIS A 57 -27.556 -7.092 13.260 1.00 24.14 H new ATOM 0 HB3 HIS A 57 -28.820 -6.474 14.305 1.00 24.14 H new ATOM 0 HD2 HIS A 57 -30.696 -8.552 15.183 1.00 22.31 H new ATOM 0 HE1 HIS A 57 -27.897 -11.667 14.508 1.00 63.45 H new ATOM 0 HE2 HIS A 57 -30.104 -11.054 15.617 1.00 34.22 H new ATOM 764 N ASP A 58 -31.406 -6.015 13.462 1.00 21.24 N ATOM 765 CA ASP A 58 -32.799 -5.975 13.890 1.00 2.12 C ATOM 766 C ASP A 58 -33.718 -5.633 12.720 1.00 31.33 C ATOM 767 O ASP A 58 -34.920 -5.889 12.767 1.00 43.43 O ATOM 768 CB ASP A 58 -32.981 -4.952 15.012 1.00 13.42 C ATOM 769 CG ASP A 58 -34.387 -4.956 15.578 1.00 51.42 C ATOM 770 OD1 ASP A 58 -35.270 -4.305 14.980 1.00 74.42 O ATOM 771 OD2 ASP A 58 -34.606 -5.612 16.618 1.00 72.24 O ATOM 0 H ASP A 58 -30.834 -5.248 13.816 1.00 21.24 H new ATOM 0 HA ASP A 58 -33.067 -6.964 14.263 1.00 2.12 H new ATOM 0 HB2 ASP A 58 -32.270 -5.164 15.811 1.00 13.42 H new ATOM 0 HB3 ASP A 58 -32.748 -3.957 14.633 1.00 13.42 H new ATOM 775 N SER A 59 -33.141 -5.053 11.672 1.00 10.00 N ATOM 776 CA SER A 59 -33.909 -4.671 10.492 1.00 34.50 C ATOM 777 C SER A 59 -34.116 -5.868 9.569 1.00 63.54 C ATOM 778 O SER A 59 -35.089 -5.926 8.818 1.00 73.12 O ATOM 779 CB SER A 59 -33.197 -3.548 9.737 1.00 24.21 C ATOM 780 OG SER A 59 -34.011 -3.040 8.693 1.00 4.35 O ATOM 0 H SER A 59 -32.146 -4.838 11.616 1.00 10.00 H new ATOM 0 HA SER A 59 -34.885 -4.315 10.822 1.00 34.50 H new ATOM 0 HB2 SER A 59 -32.943 -2.744 10.428 1.00 24.21 H new ATOM 0 HB3 SER A 59 -32.260 -3.921 9.323 1.00 24.21 H new ATOM 0 HG SER A 59 -33.534 -2.322 8.226 1.00 4.35 H new ATOM 785 N ALA A 60 -33.192 -6.823 9.631 1.00 44.34 N ATOM 786 CA ALA A 60 -33.274 -8.019 8.803 1.00 22.22 C ATOM 787 C ALA A 60 -34.055 -9.123 9.508 1.00 4.14 C ATOM 788 O ALA A 60 -34.081 -10.265 9.051 1.00 20.22 O ATOM 789 CB ALA A 60 -31.878 -8.506 8.440 1.00 33.12 C ATOM 0 H ALA A 60 -32.379 -6.791 10.246 1.00 44.34 H new ATOM 0 HA ALA A 60 -33.807 -7.761 7.888 1.00 22.22 H new ATOM 0 HB1 ALA A 60 -31.954 -9.400 7.821 1.00 33.12 H new ATOM 0 HB2 ALA A 60 -31.353 -7.726 7.888 1.00 33.12 H new ATOM 0 HB3 ALA A 60 -31.326 -8.741 9.350 1.00 33.12 H new ATOM 795 N GLU A 61 -34.689 -8.773 10.623 1.00 74.50 N ATOM 796 CA GLU A 61 -35.469 -9.736 11.391 1.00 31.51 C ATOM 797 C GLU A 61 -36.465 -10.467 10.496 1.00 53.44 C ATOM 798 O GLU A 61 -36.736 -11.653 10.687 1.00 23.32 O ATOM 799 CB GLU A 61 -36.211 -9.032 12.530 1.00 31.42 C ATOM 800 CG GLU A 61 -37.150 -9.945 13.299 1.00 14.33 C ATOM 801 CD GLU A 61 -36.414 -11.019 14.077 1.00 1.32 C ATOM 802 OE1 GLU A 61 -35.212 -10.829 14.358 1.00 44.42 O ATOM 803 OE2 GLU A 61 -37.040 -12.049 14.405 1.00 22.13 O ATOM 0 H GLU A 61 -34.678 -7.831 11.014 1.00 74.50 H new ATOM 0 HA GLU A 61 -34.781 -10.468 11.813 1.00 31.51 H new ATOM 0 HB2 GLU A 61 -35.482 -8.609 13.221 1.00 31.42 H new ATOM 0 HB3 GLU A 61 -36.782 -8.199 12.120 1.00 31.42 H new ATOM 0 HG2 GLU A 61 -37.748 -9.348 13.988 1.00 14.33 H new ATOM 0 HG3 GLU A 61 -37.843 -10.417 12.602 1.00 14.33 H new ATOM 808 N LYS A 62 -37.008 -9.751 9.518 1.00 42.32 N ATOM 809 CA LYS A 62 -37.975 -10.328 8.591 1.00 60.25 C ATOM 810 C LYS A 62 -37.308 -11.354 7.680 1.00 75.35 C ATOM 811 O LYS A 62 -37.821 -12.456 7.490 1.00 55.21 O ATOM 812 CB LYS A 62 -38.625 -9.229 7.748 1.00 30.41 C ATOM 813 CG LYS A 62 -39.637 -9.752 6.743 1.00 2.12 C ATOM 814 CD LYS A 62 -40.944 -10.135 7.416 1.00 2.14 C ATOM 815 CE LYS A 62 -41.362 -11.552 7.054 1.00 1.43 C ATOM 816 NZ LYS A 62 -42.013 -11.613 5.716 1.00 73.43 N ATOM 0 H LYS A 62 -36.795 -8.768 9.346 1.00 42.32 H new ATOM 0 HA LYS A 62 -38.745 -10.831 9.175 1.00 60.25 H new ATOM 0 HB2 LYS A 62 -39.118 -8.518 8.411 1.00 30.41 H new ATOM 0 HB3 LYS A 62 -37.846 -8.682 7.216 1.00 30.41 H new ATOM 0 HG2 LYS A 62 -39.826 -8.991 5.986 1.00 2.12 H new ATOM 0 HG3 LYS A 62 -39.224 -10.619 6.227 1.00 2.12 H new ATOM 0 HD2 LYS A 62 -40.836 -10.051 8.497 1.00 2.14 H new ATOM 0 HD3 LYS A 62 -41.726 -9.436 7.119 1.00 2.14 H new ATOM 0 HE2 LYS A 62 -40.487 -12.202 7.062 1.00 1.43 H new ATOM 0 HE3 LYS A 62 -42.049 -11.932 7.810 1.00 1.43 H new ATOM 0 HZ1 LYS A 62 -42.283 -12.595 5.506 1.00 73.43 H new ATOM 0 HZ2 LYS A 62 -42.862 -11.013 5.715 1.00 73.43 H new ATOM 0 HZ3 LYS A 62 -41.349 -11.274 4.991 1.00 73.43 H new ATOM 826 N GLY A 63 -36.160 -10.985 7.119 1.00 13.33 N ATOM 827 CA GLY A 63 -35.442 -11.886 6.237 1.00 4.41 C ATOM 828 C GLY A 63 -34.566 -12.863 6.994 1.00 74.23 C ATOM 829 O GLY A 63 -33.813 -13.630 6.393 1.00 24.43 O ATOM 0 H GLY A 63 -35.715 -10.078 7.260 1.00 13.33 H new ATOM 0 HA2 GLY A 63 -36.157 -12.440 5.629 1.00 4.41 H new ATOM 0 HA3 GLY A 63 -34.825 -11.304 5.553 1.00 4.41 H new ATOM 832 N LYS A 64 -34.663 -12.839 8.320 1.00 60.42 N ATOM 833 CA LYS A 64 -33.873 -13.729 9.161 1.00 13.30 C ATOM 834 C LYS A 64 -34.775 -14.670 9.954 1.00 11.24 C ATOM 835 O LYS A 64 -34.414 -15.121 11.042 1.00 12.14 O ATOM 836 CB LYS A 64 -32.997 -12.917 10.118 1.00 12.21 C ATOM 837 CG LYS A 64 -31.763 -13.663 10.594 1.00 3.23 C ATOM 838 CD LYS A 64 -30.696 -13.721 9.514 1.00 32.13 C ATOM 839 CE LYS A 64 -29.397 -14.309 10.045 1.00 25.14 C ATOM 840 NZ LYS A 64 -29.535 -15.755 10.371 1.00 30.05 N ATOM 0 H LYS A 64 -35.282 -12.212 8.834 1.00 60.42 H new ATOM 0 HA LYS A 64 -33.233 -14.328 8.513 1.00 13.30 H new ATOM 0 HB2 LYS A 64 -32.686 -11.998 9.621 1.00 12.21 H new ATOM 0 HB3 LYS A 64 -33.592 -12.626 10.984 1.00 12.21 H new ATOM 0 HG2 LYS A 64 -31.359 -13.173 11.480 1.00 3.23 H new ATOM 0 HG3 LYS A 64 -32.040 -14.675 10.888 1.00 3.23 H new ATOM 0 HD2 LYS A 64 -31.054 -14.323 8.679 1.00 32.13 H new ATOM 0 HD3 LYS A 64 -30.512 -12.718 9.129 1.00 32.13 H new ATOM 0 HE2 LYS A 64 -28.609 -14.178 9.303 1.00 25.14 H new ATOM 0 HE3 LYS A 64 -29.089 -13.763 10.937 1.00 25.14 H new ATOM 0 HZ1 LYS A 64 -28.624 -16.122 10.714 1.00 30.05 H new ATOM 0 HZ2 LYS A 64 -30.257 -15.877 11.109 1.00 30.05 H new ATOM 0 HZ3 LYS A 64 -29.820 -16.277 9.518 1.00 30.05 H new ATOM 850 N ASP A 65 -35.948 -14.962 9.404 1.00 31.02 N ATOM 851 CA ASP A 65 -36.900 -15.851 10.060 1.00 60.43 C ATOM 852 C ASP A 65 -37.032 -17.165 9.295 1.00 65.11 C ATOM 853 O ASP A 65 -37.934 -17.959 9.558 1.00 25.32 O ATOM 854 CB ASP A 65 -38.266 -15.174 10.174 1.00 14.34 C ATOM 855 CG ASP A 65 -38.814 -15.211 11.588 1.00 74.13 C ATOM 856 OD1 ASP A 65 -38.616 -16.236 12.273 1.00 33.33 O ATOM 857 OD2 ASP A 65 -39.442 -14.217 12.008 1.00 24.14 O ATOM 0 H ASP A 65 -36.263 -14.596 8.505 1.00 31.02 H new ATOM 0 HA ASP A 65 -36.527 -16.069 11.060 1.00 60.43 H new ATOM 0 HB2 ASP A 65 -38.183 -14.138 9.846 1.00 14.34 H new ATOM 0 HB3 ASP A 65 -38.969 -15.666 9.502 1.00 14.34 H new ATOM 861 N ASN A 66 -36.127 -17.385 8.347 1.00 20.34 N ATOM 862 CA ASN A 66 -36.143 -18.601 7.542 1.00 52.02 C ATOM 863 C ASN A 66 -36.500 -19.814 8.397 1.00 31.41 C ATOM 864 O ASN A 66 -37.210 -20.714 7.951 1.00 50.32 O ATOM 865 CB ASN A 66 -34.784 -18.815 6.875 1.00 33.41 C ATOM 866 CG ASN A 66 -33.703 -19.188 7.872 1.00 74.44 C ATOM 867 OD1 ASN A 66 -33.617 -18.434 8.961 1.00 5.23 O flip ATOM 868 ND2 ASN A 66 -32.956 -20.146 7.665 1.00 11.03 N flip ATOM 0 H ASN A 66 -35.373 -16.737 8.117 1.00 20.34 H new ATOM 0 HA ASN A 66 -36.904 -18.486 6.770 1.00 52.02 H new ATOM 0 HB2 ASN A 66 -34.870 -19.602 6.125 1.00 33.41 H new ATOM 0 HB3 ASN A 66 -34.492 -17.905 6.350 1.00 33.41 H new ATOM 0 HD21 ASN A 66 -33.059 -20.698 6.813 1.00 11.03 H new ATOM 0 HD22 ASN A 66 -32.235 -20.387 8.345 1.00 11.03 H new ATOM 874 N ALA A 67 -36.001 -19.829 9.629 1.00 52.12 N ATOM 875 CA ALA A 67 -36.268 -20.929 10.548 1.00 74.04 C ATOM 876 C ALA A 67 -37.764 -21.210 10.648 1.00 70.44 C ATOM 877 O ALA A 67 -38.216 -22.319 10.369 1.00 34.41 O ATOM 878 CB ALA A 67 -35.694 -20.620 11.923 1.00 43.11 C ATOM 0 H ALA A 67 -35.410 -19.092 10.014 1.00 52.12 H new ATOM 0 HA ALA A 67 -35.782 -21.823 10.156 1.00 74.04 H new ATOM 0 HB1 ALA A 67 -35.901 -21.450 12.599 1.00 43.11 H new ATOM 0 HB2 ALA A 67 -34.616 -20.477 11.844 1.00 43.11 H new ATOM 0 HB3 ALA A 67 -36.153 -19.712 12.313 1.00 43.11 H new ATOM 947 N LEU A 74 -47.506 -21.811 3.177 1.00 62.34 N ATOM 948 CA LEU A 74 -46.193 -21.630 2.567 1.00 0.45 C ATOM 949 C LEU A 74 -46.260 -20.637 1.412 1.00 4.45 C ATOM 950 O LEU A 74 -45.234 -20.233 0.866 1.00 61.23 O ATOM 951 CB LEU A 74 -45.650 -22.971 2.071 1.00 62.22 C ATOM 952 CG LEU A 74 -46.235 -23.486 0.756 1.00 63.44 C ATOM 953 CD1 LEU A 74 -47.754 -23.434 0.790 1.00 35.11 C ATOM 954 CD2 LEU A 74 -45.698 -22.679 -0.418 1.00 62.23 C ATOM 0 HA LEU A 74 -45.520 -21.230 3.326 1.00 0.45 H new ATOM 0 HB2 LEU A 74 -44.570 -22.883 1.955 1.00 62.22 H new ATOM 0 HB3 LEU A 74 -45.827 -23.720 2.843 1.00 62.22 H new ATOM 0 HG LEU A 74 -45.931 -24.525 0.627 1.00 63.44 H new ATOM 0 HD11 LEU A 74 -48.152 -23.805 -0.155 1.00 35.11 H new ATOM 0 HD12 LEU A 74 -48.121 -24.055 1.607 1.00 35.11 H new ATOM 0 HD13 LEU A 74 -48.080 -22.405 0.942 1.00 35.11 H new ATOM 0 HD21 LEU A 74 -46.125 -23.059 -1.346 1.00 62.23 H new ATOM 0 HD22 LEU A 74 -45.972 -21.631 -0.295 1.00 62.23 H new ATOM 0 HD23 LEU A 74 -44.612 -22.768 -0.455 1.00 62.23 H new ATOM 965 N ALA A 75 -47.476 -20.244 1.046 1.00 74.02 N ATOM 966 CA ALA A 75 -47.678 -19.296 -0.042 1.00 3.13 C ATOM 967 C ALA A 75 -47.499 -17.860 0.442 1.00 53.10 C ATOM 968 O ALA A 75 -47.042 -16.995 -0.306 1.00 72.21 O ATOM 969 CB ALA A 75 -49.059 -19.480 -0.653 1.00 64.22 C ATOM 0 H ALA A 75 -48.336 -20.568 1.488 1.00 74.02 H new ATOM 0 HA ALA A 75 -46.926 -19.492 -0.806 1.00 3.13 H new ATOM 0 HB1 ALA A 75 -49.196 -18.765 -1.464 1.00 64.22 H new ATOM 0 HB2 ALA A 75 -49.152 -20.494 -1.043 1.00 64.22 H new ATOM 0 HB3 ALA A 75 -49.820 -19.313 0.110 1.00 64.22 H new ATOM 975 N ASP A 76 -47.862 -17.614 1.696 1.00 72.00 N ATOM 976 CA ASP A 76 -47.742 -16.283 2.280 1.00 61.11 C ATOM 977 C ASP A 76 -46.308 -15.772 2.173 1.00 13.44 C ATOM 978 O ASP A 76 -46.079 -14.600 1.872 1.00 53.10 O ATOM 979 CB ASP A 76 -48.181 -16.304 3.745 1.00 43.12 C ATOM 980 CG ASP A 76 -48.406 -14.911 4.300 1.00 53.24 C ATOM 981 OD1 ASP A 76 -47.578 -14.020 4.021 1.00 61.10 O ATOM 982 OD2 ASP A 76 -49.411 -14.713 5.017 1.00 63.34 O ATOM 0 H ASP A 76 -48.242 -18.319 2.328 1.00 72.00 H new ATOM 0 HA ASP A 76 -48.393 -15.608 1.724 1.00 61.11 H new ATOM 0 HB2 ASP A 76 -49.100 -16.882 3.838 1.00 43.12 H new ATOM 0 HB3 ASP A 76 -47.423 -16.812 4.341 1.00 43.12 H new ATOM 986 N GLN A 77 -45.349 -16.657 2.424 1.00 10.51 N ATOM 987 CA GLN A 77 -43.939 -16.293 2.358 1.00 65.43 C ATOM 988 C GLN A 77 -43.440 -16.306 0.917 1.00 3.23 C ATOM 989 O GLN A 77 -42.687 -15.425 0.502 1.00 11.13 O ATOM 990 CB GLN A 77 -43.103 -17.253 3.207 1.00 22.34 C ATOM 991 CG GLN A 77 -43.756 -17.622 4.529 1.00 12.42 C ATOM 992 CD GLN A 77 -43.951 -16.424 5.438 1.00 40.12 C ATOM 993 OE1 GLN A 77 -45.045 -15.699 5.236 1.00 5.35 O flip ATOM 994 NE2 GLN A 77 -43.127 -16.154 6.312 1.00 32.52 N flip ATOM 0 H GLN A 77 -45.523 -17.630 2.675 1.00 10.51 H new ATOM 0 HA GLN A 77 -43.832 -15.282 2.752 1.00 65.43 H new ATOM 0 HB2 GLN A 77 -42.918 -18.163 2.636 1.00 22.34 H new ATOM 0 HB3 GLN A 77 -42.132 -16.798 3.405 1.00 22.34 H new ATOM 0 HG2 GLN A 77 -44.722 -18.087 4.335 1.00 12.42 H new ATOM 0 HG3 GLN A 77 -43.141 -18.364 5.039 1.00 12.42 H new ATOM 0 HE21 GLN A 77 -42.300 -16.739 6.432 1.00 32.52 H new ATOM 0 HE22 GLN A 77 -43.271 -15.345 6.916 1.00 32.52 H new ATOM 1001 N ALA A 78 -43.865 -17.310 0.156 1.00 13.33 N ATOM 1002 CA ALA A 78 -43.464 -17.435 -1.238 1.00 75.32 C ATOM 1003 C ALA A 78 -43.477 -16.080 -1.938 1.00 74.14 C ATOM 1004 O ALA A 78 -42.661 -15.820 -2.821 1.00 25.44 O ATOM 1005 CB ALA A 78 -44.375 -18.416 -1.963 1.00 25.54 C ATOM 0 H ALA A 78 -44.488 -18.049 0.483 1.00 13.33 H new ATOM 0 HA ALA A 78 -42.443 -17.817 -1.264 1.00 75.32 H new ATOM 0 HB1 ALA A 78 -44.064 -18.500 -3.004 1.00 25.54 H new ATOM 0 HB2 ALA A 78 -44.311 -19.394 -1.485 1.00 25.54 H new ATOM 0 HB3 ALA A 78 -45.404 -18.058 -1.919 1.00 25.54 H new ATOM 1011 N ARG A 79 -44.411 -15.223 -1.538 1.00 62.22 N ATOM 1012 CA ARG A 79 -44.531 -13.896 -2.129 1.00 51.31 C ATOM 1013 C ARG A 79 -43.422 -12.976 -1.630 1.00 1.13 C ATOM 1014 O ARG A 79 -42.604 -12.492 -2.413 1.00 24.25 O ATOM 1015 CB ARG A 79 -45.897 -13.291 -1.799 1.00 4.04 C ATOM 1016 CG ARG A 79 -47.069 -14.146 -2.254 1.00 14.04 C ATOM 1017 CD ARG A 79 -48.397 -13.542 -1.827 1.00 40.45 C ATOM 1018 NE ARG A 79 -49.487 -13.932 -2.719 1.00 3.01 N ATOM 1019 CZ ARG A 79 -49.666 -13.414 -3.929 1.00 63.43 C ATOM 1020 NH1 ARG A 79 -48.832 -12.491 -4.389 1.00 64.04 N ATOM 1021 NH2 ARG A 79 -50.681 -13.819 -4.683 1.00 34.33 N ATOM 0 H ARG A 79 -45.095 -15.424 -0.808 1.00 62.22 H new ATOM 0 HA ARG A 79 -44.436 -13.997 -3.210 1.00 51.31 H new ATOM 0 HB2 ARG A 79 -45.966 -13.138 -0.722 1.00 4.04 H new ATOM 0 HB3 ARG A 79 -45.972 -12.309 -2.266 1.00 4.04 H new ATOM 0 HG2 ARG A 79 -47.047 -14.248 -3.339 1.00 14.04 H new ATOM 0 HG3 ARG A 79 -46.973 -15.149 -1.837 1.00 14.04 H new ATOM 0 HD2 ARG A 79 -48.629 -13.859 -0.810 1.00 40.45 H new ATOM 0 HD3 ARG A 79 -48.313 -12.455 -1.811 1.00 40.45 H new ATOM 0 HE ARG A 79 -50.146 -14.640 -2.395 1.00 3.01 H new ATOM 0 HH11 ARG A 79 -48.051 -12.177 -3.813 1.00 64.04 H new ATOM 0 HH12 ARG A 79 -48.972 -12.095 -5.319 1.00 64.04 H new ATOM 0 HH21 ARG A 79 -51.325 -14.529 -4.333 1.00 34.33 H new ATOM 0 HH22 ARG A 79 -50.817 -13.420 -5.612 1.00 34.33 H new ATOM 1032 N ASP A 80 -43.399 -12.738 -0.323 1.00 53.53 N ATOM 1033 CA ASP A 80 -42.389 -11.877 0.281 1.00 44.41 C ATOM 1034 C ASP A 80 -41.040 -12.584 0.346 1.00 15.13 C ATOM 1035 O ASP A 80 -40.029 -12.058 -0.117 1.00 20.22 O ATOM 1036 CB ASP A 80 -42.825 -11.452 1.684 1.00 11.11 C ATOM 1037 CG ASP A 80 -42.304 -10.079 2.061 1.00 30.42 C ATOM 1038 OD1 ASP A 80 -41.076 -9.941 2.244 1.00 53.11 O ATOM 1039 OD2 ASP A 80 -43.123 -9.143 2.174 1.00 31.34 O ATOM 0 H ASP A 80 -44.069 -13.130 0.339 1.00 53.53 H new ATOM 0 HA ASP A 80 -42.283 -10.990 -0.343 1.00 44.41 H new ATOM 0 HB2 ASP A 80 -43.914 -11.452 1.739 1.00 11.11 H new ATOM 0 HB3 ASP A 80 -42.470 -12.184 2.409 1.00 11.11 H new ATOM 1043 N TYR A 81 -41.032 -13.780 0.925 1.00 44.31 N ATOM 1044 CA TYR A 81 -39.806 -14.558 1.054 1.00 53.13 C ATOM 1045 C TYR A 81 -38.984 -14.496 -0.230 1.00 33.10 C ATOM 1046 O TYR A 81 -37.881 -13.950 -0.248 1.00 13.43 O ATOM 1047 CB TYR A 81 -40.134 -16.014 1.392 1.00 4.53 C ATOM 1048 CG TYR A 81 -39.022 -16.731 2.122 1.00 72.11 C ATOM 1049 CD1 TYR A 81 -38.373 -16.137 3.197 1.00 11.25 C ATOM 1050 CD2 TYR A 81 -38.619 -18.005 1.737 1.00 40.52 C ATOM 1051 CE1 TYR A 81 -37.355 -16.789 3.866 1.00 11.54 C ATOM 1052 CE2 TYR A 81 -37.604 -18.665 2.402 1.00 4.21 C ATOM 1053 CZ TYR A 81 -36.974 -18.053 3.465 1.00 12.11 C ATOM 1054 OH TYR A 81 -35.962 -18.706 4.130 1.00 52.54 O ATOM 0 H TYR A 81 -41.861 -14.231 1.312 1.00 44.31 H new ATOM 0 HA TYR A 81 -39.216 -14.128 1.863 1.00 53.13 H new ATOM 0 HB2 TYR A 81 -41.036 -16.042 2.004 1.00 4.53 H new ATOM 0 HB3 TYR A 81 -40.357 -16.551 0.470 1.00 4.53 H new ATOM 0 HD1 TYR A 81 -38.669 -15.148 3.515 1.00 11.25 H new ATOM 0 HD2 TYR A 81 -39.108 -18.487 0.903 1.00 40.52 H new ATOM 0 HE1 TYR A 81 -36.860 -16.312 4.699 1.00 11.54 H new ATOM 0 HE2 TYR A 81 -37.305 -19.655 2.091 1.00 4.21 H new ATOM 0 HH TYR A 81 -35.818 -19.586 3.723 1.00 52.54 H new ATOM 1063 N MET A 82 -39.530 -15.060 -1.302 1.00 22.24 N ATOM 1064 CA MET A 82 -38.848 -15.068 -2.591 1.00 44.41 C ATOM 1065 C MET A 82 -38.277 -13.690 -2.913 1.00 33.35 C ATOM 1066 O MET A 82 -37.200 -13.575 -3.497 1.00 14.25 O ATOM 1067 CB MET A 82 -39.810 -15.504 -3.698 1.00 73.32 C ATOM 1068 CG MET A 82 -40.656 -14.369 -4.250 1.00 43.53 C ATOM 1069 SD MET A 82 -41.726 -14.895 -5.603 1.00 4.22 S ATOM 1070 CE MET A 82 -40.849 -14.215 -7.010 1.00 1.43 C ATOM 0 H MET A 82 -40.442 -15.517 -1.304 1.00 22.24 H new ATOM 0 HA MET A 82 -38.024 -15.779 -2.533 1.00 44.41 H new ATOM 0 HB2 MET A 82 -39.237 -15.948 -4.512 1.00 73.32 H new ATOM 0 HB3 MET A 82 -40.468 -16.282 -3.310 1.00 73.32 H new ATOM 0 HG2 MET A 82 -41.267 -13.954 -3.449 1.00 43.53 H new ATOM 0 HG3 MET A 82 -40.002 -13.570 -4.599 1.00 43.53 H new ATOM 0 HE1 MET A 82 -41.388 -14.457 -7.926 1.00 1.43 H new ATOM 0 HE2 MET A 82 -40.778 -13.132 -6.906 1.00 1.43 H new ATOM 0 HE3 MET A 82 -39.847 -14.642 -7.055 1.00 1.43 H new ATOM 1078 N GLY A 83 -39.005 -12.647 -2.527 1.00 14.41 N ATOM 1079 CA GLY A 83 -38.555 -11.292 -2.783 1.00 1.03 C ATOM 1080 C GLY A 83 -37.384 -10.895 -1.905 1.00 13.34 C ATOM 1081 O GLY A 83 -36.316 -10.545 -2.405 1.00 25.13 O ATOM 0 H GLY A 83 -39.899 -12.717 -2.041 1.00 14.41 H new ATOM 0 HA2 GLY A 83 -38.268 -11.199 -3.830 1.00 1.03 H new ATOM 0 HA3 GLY A 83 -39.381 -10.600 -2.617 1.00 1.03 H new ATOM 1084 N ALA A 84 -37.586 -10.948 -0.593 1.00 1.44 N ATOM 1085 CA ALA A 84 -36.539 -10.591 0.357 1.00 61.11 C ATOM 1086 C ALA A 84 -35.275 -11.409 0.113 1.00 11.20 C ATOM 1087 O ALA A 84 -34.188 -11.035 0.552 1.00 63.32 O ATOM 1088 CB ALA A 84 -37.030 -10.787 1.783 1.00 44.11 C ATOM 0 H ALA A 84 -38.465 -11.235 -0.163 1.00 1.44 H new ATOM 0 HA ALA A 84 -36.294 -9.539 0.211 1.00 61.11 H new ATOM 0 HB1 ALA A 84 -36.238 -10.517 2.481 1.00 44.11 H new ATOM 0 HB2 ALA A 84 -37.900 -10.154 1.959 1.00 44.11 H new ATOM 0 HB3 ALA A 84 -37.305 -11.831 1.933 1.00 44.11 H new ATOM 1094 N ALA A 85 -35.426 -12.528 -0.588 1.00 43.12 N ATOM 1095 CA ALA A 85 -34.297 -13.398 -0.891 1.00 53.23 C ATOM 1096 C ALA A 85 -33.657 -13.024 -2.223 1.00 45.10 C ATOM 1097 O ALA A 85 -32.580 -12.428 -2.261 1.00 61.22 O ATOM 1098 CB ALA A 85 -34.742 -14.853 -0.907 1.00 31.20 C ATOM 0 H ALA A 85 -36.320 -12.853 -0.957 1.00 43.12 H new ATOM 0 HA ALA A 85 -33.549 -13.266 -0.109 1.00 53.23 H new ATOM 0 HB1 ALA A 85 -33.889 -15.492 -1.135 1.00 31.20 H new ATOM 0 HB2 ALA A 85 -35.146 -15.121 0.069 1.00 31.20 H new ATOM 0 HB3 ALA A 85 -35.511 -14.990 -1.667 1.00 31.20 H new ATOM 1104 N LYS A 86 -34.326 -13.378 -3.316 1.00 11.14 N ATOM 1105 CA LYS A 86 -33.824 -13.078 -4.652 1.00 30.20 C ATOM 1106 C LYS A 86 -33.328 -11.638 -4.737 1.00 70.21 C ATOM 1107 O LYS A 86 -32.360 -11.346 -5.439 1.00 5.40 O ATOM 1108 CB LYS A 86 -34.918 -13.315 -5.695 1.00 65.23 C ATOM 1109 CG LYS A 86 -35.971 -12.220 -5.731 1.00 34.42 C ATOM 1110 CD LYS A 86 -35.612 -11.135 -6.732 1.00 1.40 C ATOM 1111 CE LYS A 86 -36.078 -9.766 -6.260 1.00 43.12 C ATOM 1112 NZ LYS A 86 -36.990 -9.120 -7.245 1.00 21.42 N ATOM 0 H LYS A 86 -35.218 -13.873 -3.302 1.00 11.14 H new ATOM 0 HA LYS A 86 -32.986 -13.744 -4.856 1.00 30.20 H new ATOM 0 HB2 LYS A 86 -34.458 -13.398 -6.680 1.00 65.23 H new ATOM 0 HB3 LYS A 86 -35.404 -14.269 -5.489 1.00 65.23 H new ATOM 0 HG2 LYS A 86 -36.937 -12.652 -5.992 1.00 34.42 H new ATOM 0 HG3 LYS A 86 -36.075 -11.781 -4.739 1.00 34.42 H new ATOM 0 HD2 LYS A 86 -34.533 -11.121 -6.884 1.00 1.40 H new ATOM 0 HD3 LYS A 86 -36.066 -11.363 -7.696 1.00 1.40 H new ATOM 0 HE2 LYS A 86 -36.590 -9.867 -5.303 1.00 43.12 H new ATOM 0 HE3 LYS A 86 -35.212 -9.126 -6.092 1.00 43.12 H new ATOM 0 HZ1 LYS A 86 -37.285 -8.189 -6.886 1.00 21.42 H new ATOM 0 HZ2 LYS A 86 -36.494 -9.000 -8.151 1.00 21.42 H new ATOM 0 HZ3 LYS A 86 -37.829 -9.719 -7.386 1.00 21.42 H new ATOM 1122 N SER A 87 -33.996 -10.744 -4.016 1.00 41.21 N ATOM 1123 CA SER A 87 -33.624 -9.334 -4.012 1.00 61.21 C ATOM 1124 C SER A 87 -32.412 -9.094 -3.118 1.00 33.20 C ATOM 1125 O SER A 87 -31.330 -8.749 -3.596 1.00 41.34 O ATOM 1126 CB SER A 87 -34.799 -8.476 -3.538 1.00 61.43 C ATOM 1127 OG SER A 87 -34.814 -7.222 -4.199 1.00 52.52 O ATOM 0 H SER A 87 -34.797 -10.971 -3.427 1.00 41.21 H new ATOM 0 HA SER A 87 -33.363 -9.050 -5.032 1.00 61.21 H new ATOM 0 HB2 SER A 87 -35.736 -9.001 -3.726 1.00 61.43 H new ATOM 0 HB3 SER A 87 -34.730 -8.322 -2.461 1.00 61.43 H new ATOM 0 HG SER A 87 -35.575 -6.693 -3.880 1.00 52.52 H new ATOM 1132 N LYS A 88 -32.599 -9.279 -1.816 1.00 74.31 N ATOM 1133 CA LYS A 88 -31.522 -9.085 -0.852 1.00 24.41 C ATOM 1134 C LYS A 88 -30.385 -10.072 -1.100 1.00 42.33 C ATOM 1135 O LYS A 88 -29.250 -9.674 -1.363 1.00 71.40 O ATOM 1136 CB LYS A 88 -32.051 -9.248 0.574 1.00 13.44 C ATOM 1137 CG LYS A 88 -31.382 -8.328 1.581 1.00 22.02 C ATOM 1138 CD LYS A 88 -30.218 -9.014 2.276 1.00 60.24 C ATOM 1139 CE LYS A 88 -30.573 -9.406 3.702 1.00 41.25 C ATOM 1140 NZ LYS A 88 -30.936 -8.222 4.529 1.00 4.31 N ATOM 0 H LYS A 88 -33.487 -9.563 -1.403 1.00 74.31 H new ATOM 0 HA LYS A 88 -31.135 -8.074 -0.976 1.00 24.41 H new ATOM 0 HB2 LYS A 88 -33.124 -9.058 0.578 1.00 13.44 H new ATOM 0 HB3 LYS A 88 -31.909 -10.282 0.889 1.00 13.44 H new ATOM 0 HG2 LYS A 88 -31.027 -7.430 1.075 1.00 22.02 H new ATOM 0 HG3 LYS A 88 -32.113 -8.007 2.324 1.00 22.02 H new ATOM 0 HD2 LYS A 88 -29.930 -9.903 1.714 1.00 60.24 H new ATOM 0 HD3 LYS A 88 -29.355 -8.349 2.285 1.00 60.24 H new ATOM 0 HE2 LYS A 88 -31.406 -10.109 3.689 1.00 41.25 H new ATOM 0 HE3 LYS A 88 -29.728 -9.922 4.158 1.00 41.25 H new ATOM 0 HZ1 LYS A 88 -30.682 -8.401 5.521 1.00 4.31 H new ATOM 0 HZ2 LYS A 88 -30.421 -7.387 4.184 1.00 4.31 H new ATOM 0 HZ3 LYS A 88 -31.959 -8.051 4.459 1.00 4.31 H new ATOM 1150 N LEU A 89 -30.698 -11.361 -1.015 1.00 45.15 N ATOM 1151 CA LEU A 89 -29.703 -12.405 -1.232 1.00 42.14 C ATOM 1152 C LEU A 89 -28.844 -12.094 -2.454 1.00 42.11 C ATOM 1153 O LEU A 89 -27.618 -12.050 -2.368 1.00 4.44 O ATOM 1154 CB LEU A 89 -30.389 -13.761 -1.410 1.00 70.01 C ATOM 1155 CG LEU A 89 -29.479 -14.987 -1.339 1.00 70.32 C ATOM 1156 CD1 LEU A 89 -30.185 -16.136 -0.634 1.00 65.40 C ATOM 1157 CD2 LEU A 89 -29.037 -15.406 -2.734 1.00 42.30 C ATOM 0 H LEU A 89 -31.632 -11.707 -0.797 1.00 45.15 H new ATOM 0 HA LEU A 89 -29.056 -12.443 -0.356 1.00 42.14 H new ATOM 0 HB2 LEU A 89 -31.159 -13.860 -0.645 1.00 70.01 H new ATOM 0 HB3 LEU A 89 -30.896 -13.765 -2.375 1.00 70.01 H new ATOM 0 HG LEU A 89 -28.592 -14.724 -0.763 1.00 70.32 H new ATOM 0 HD11 LEU A 89 -29.522 -17.000 -0.593 1.00 65.40 H new ATOM 0 HD12 LEU A 89 -30.450 -15.833 0.379 1.00 65.40 H new ATOM 0 HD13 LEU A 89 -31.090 -16.399 -1.183 1.00 65.40 H new ATOM 0 HD21 LEU A 89 -28.390 -16.280 -2.663 1.00 42.30 H new ATOM 0 HD22 LEU A 89 -29.913 -15.650 -3.335 1.00 42.30 H new ATOM 0 HD23 LEU A 89 -28.491 -14.588 -3.204 1.00 42.30 H new ATOM 1168 N ASN A 90 -29.498 -11.876 -3.591 1.00 33.11 N ATOM 1169 CA ASN A 90 -28.794 -11.566 -4.830 1.00 32.41 C ATOM 1170 C ASN A 90 -28.152 -10.184 -4.761 1.00 4.41 C ATOM 1171 O ASN A 90 -26.946 -10.037 -4.955 1.00 43.31 O ATOM 1172 CB ASN A 90 -29.754 -11.636 -6.018 1.00 53.45 C ATOM 1173 CG ASN A 90 -29.054 -12.027 -7.306 1.00 50.23 C ATOM 1174 OD1 ASN A 90 -28.837 -13.209 -7.573 1.00 51.33 O ATOM 1175 ND2 ASN A 90 -28.698 -11.033 -8.110 1.00 75.40 N ATOM 0 H ASN A 90 -30.514 -11.908 -3.680 1.00 33.11 H new ATOM 0 HA ASN A 90 -28.005 -12.306 -4.965 1.00 32.41 H new ATOM 0 HB2 ASN A 90 -30.542 -12.358 -5.803 1.00 53.45 H new ATOM 0 HB3 ASN A 90 -30.236 -10.667 -6.149 1.00 53.45 H new ATOM 0 HD21 ASN A 90 -28.224 -11.234 -8.990 1.00 75.40 H new ATOM 0 HD22 ASN A 90 -28.899 -10.068 -7.847 1.00 75.40 H new ATOM 1181 N ASP A 91 -28.969 -9.173 -4.483 1.00 11.13 N ATOM 1182 CA ASP A 91 -28.482 -7.802 -4.385 1.00 65.22 C ATOM 1183 C ASP A 91 -27.469 -7.663 -3.253 1.00 14.40 C ATOM 1184 O ASP A 91 -26.762 -6.660 -3.158 1.00 72.13 O ATOM 1185 CB ASP A 91 -29.649 -6.838 -4.164 1.00 11.22 C ATOM 1186 CG ASP A 91 -29.260 -5.393 -4.406 1.00 40.03 C ATOM 1187 OD1 ASP A 91 -28.758 -5.090 -5.508 1.00 61.13 O ATOM 1188 OD2 ASP A 91 -29.460 -4.565 -3.493 1.00 45.10 O ATOM 0 H ASP A 91 -29.971 -9.277 -4.322 1.00 11.13 H new ATOM 0 HA ASP A 91 -27.987 -7.551 -5.323 1.00 65.22 H new ATOM 0 HB2 ASP A 91 -30.469 -7.107 -4.829 1.00 11.22 H new ATOM 0 HB3 ASP A 91 -30.018 -6.946 -3.144 1.00 11.22 H new ATOM 1192 N ALA A 92 -27.406 -8.676 -2.395 1.00 71.25 N ATOM 1193 CA ALA A 92 -26.479 -8.668 -1.270 1.00 60.22 C ATOM 1194 C ALA A 92 -25.313 -9.620 -1.512 1.00 61.24 C ATOM 1195 O ALA A 92 -24.227 -9.439 -0.963 1.00 32.40 O ATOM 1196 CB ALA A 92 -27.206 -9.037 0.015 1.00 3.33 C ATOM 0 H ALA A 92 -27.986 -9.513 -2.458 1.00 71.25 H new ATOM 0 HA ALA A 92 -26.076 -7.660 -1.171 1.00 60.22 H new ATOM 0 HB1 ALA A 92 -26.502 -9.027 0.847 1.00 3.33 H new ATOM 0 HB2 ALA A 92 -28.001 -8.315 0.204 1.00 3.33 H new ATOM 0 HB3 ALA A 92 -27.637 -10.033 -0.084 1.00 3.33 H new ATOM 1202 N VAL A 93 -25.547 -10.637 -2.337 1.00 10.14 N ATOM 1203 CA VAL A 93 -24.515 -11.618 -2.651 1.00 51.33 C ATOM 1204 C VAL A 93 -23.986 -11.425 -4.067 1.00 62.35 C ATOM 1205 O VAL A 93 -22.789 -11.557 -4.317 1.00 21.10 O ATOM 1206 CB VAL A 93 -25.045 -13.057 -2.505 1.00 51.43 C ATOM 1207 CG1 VAL A 93 -25.689 -13.523 -3.802 1.00 60.03 C ATOM 1208 CG2 VAL A 93 -23.926 -13.998 -2.088 1.00 11.10 C ATOM 0 H VAL A 93 -26.441 -10.802 -2.799 1.00 10.14 H new ATOM 0 HA VAL A 93 -23.704 -11.463 -1.939 1.00 51.33 H new ATOM 0 HB VAL A 93 -25.806 -13.067 -1.725 1.00 51.43 H new ATOM 0 HG11 VAL A 93 -26.057 -14.542 -3.680 1.00 60.03 H new ATOM 0 HG12 VAL A 93 -26.520 -12.864 -4.053 1.00 60.03 H new ATOM 0 HG13 VAL A 93 -24.951 -13.498 -4.604 1.00 60.03 H new ATOM 0 HG21 VAL A 93 -24.319 -15.010 -1.990 1.00 11.10 H new ATOM 0 HG22 VAL A 93 -23.140 -13.986 -2.843 1.00 11.10 H new ATOM 0 HG23 VAL A 93 -23.515 -13.674 -1.132 1.00 11.10 H new ATOM 1218 N GLU A 94 -24.889 -11.111 -4.993 1.00 32.23 N ATOM 1219 CA GLU A 94 -24.512 -10.900 -6.386 1.00 11.04 C ATOM 1220 C GLU A 94 -24.125 -9.444 -6.630 1.00 14.45 C ATOM 1221 O GLU A 94 -23.249 -9.151 -7.444 1.00 10.12 O ATOM 1222 CB GLU A 94 -25.662 -11.296 -7.313 1.00 64.11 C ATOM 1223 CG GLU A 94 -25.734 -12.787 -7.591 1.00 13.21 C ATOM 1224 CD GLU A 94 -25.851 -13.101 -9.070 1.00 4.14 C ATOM 1225 OE1 GLU A 94 -26.457 -12.290 -9.802 1.00 20.12 O ATOM 1226 OE2 GLU A 94 -25.338 -14.156 -9.496 1.00 53.23 O ATOM 0 H GLU A 94 -25.885 -10.998 -4.803 1.00 32.23 H new ATOM 0 HA GLU A 94 -23.648 -11.528 -6.602 1.00 11.04 H new ATOM 0 HB2 GLU A 94 -26.603 -10.972 -6.869 1.00 64.11 H new ATOM 0 HB3 GLU A 94 -25.555 -10.764 -8.258 1.00 64.11 H new ATOM 0 HG2 GLU A 94 -24.843 -13.271 -7.190 1.00 13.21 H new ATOM 0 HG3 GLU A 94 -26.590 -13.210 -7.065 1.00 13.21 H new ATOM 1231 N TYR A 95 -24.784 -8.536 -5.919 1.00 11.13 N ATOM 1232 CA TYR A 95 -24.513 -7.110 -6.059 1.00 24.41 C ATOM 1233 C TYR A 95 -23.453 -6.656 -5.059 1.00 61.42 C ATOM 1234 O TYR A 95 -22.572 -5.861 -5.388 1.00 3.51 O ATOM 1235 CB TYR A 95 -25.796 -6.302 -5.860 1.00 73.32 C ATOM 1236 CG TYR A 95 -25.558 -4.819 -5.687 1.00 51.13 C ATOM 1237 CD1 TYR A 95 -25.329 -4.274 -4.431 1.00 15.03 C ATOM 1238 CD2 TYR A 95 -25.561 -3.964 -6.782 1.00 2.02 C ATOM 1239 CE1 TYR A 95 -25.111 -2.919 -4.268 1.00 52.34 C ATOM 1240 CE2 TYR A 95 -25.343 -2.608 -6.629 1.00 52.21 C ATOM 1241 CZ TYR A 95 -25.120 -2.091 -5.371 1.00 32.44 C ATOM 1242 OH TYR A 95 -24.902 -0.741 -5.213 1.00 31.22 O ATOM 0 H TYR A 95 -25.510 -8.762 -5.239 1.00 11.13 H new ATOM 0 HA TYR A 95 -24.135 -6.936 -7.067 1.00 24.41 H new ATOM 0 HB2 TYR A 95 -26.450 -6.459 -6.717 1.00 73.32 H new ATOM 0 HB3 TYR A 95 -26.322 -6.681 -4.984 1.00 73.32 H new ATOM 0 HD1 TYR A 95 -25.321 -4.920 -3.566 1.00 15.03 H new ATOM 0 HD2 TYR A 95 -25.737 -4.366 -7.769 1.00 2.02 H new ATOM 0 HE1 TYR A 95 -24.935 -2.511 -3.284 1.00 52.34 H new ATOM 0 HE2 TYR A 95 -25.347 -1.957 -7.491 1.00 52.21 H new ATOM 0 HH TYR A 95 -24.940 -0.299 -6.087 1.00 31.22 H new ATOM 1251 N VAL A 96 -23.545 -7.169 -3.837 1.00 72.22 N ATOM 1252 CA VAL A 96 -22.594 -6.818 -2.788 1.00 75.31 C ATOM 1253 C VAL A 96 -21.397 -7.763 -2.793 1.00 64.31 C ATOM 1254 O VAL A 96 -20.256 -7.334 -2.963 1.00 11.13 O ATOM 1255 CB VAL A 96 -23.255 -6.854 -1.397 1.00 62.42 C ATOM 1256 CG1 VAL A 96 -22.279 -7.383 -0.356 1.00 51.35 C ATOM 1257 CG2 VAL A 96 -23.760 -5.472 -1.013 1.00 3.13 C ATOM 0 H VAL A 96 -24.268 -7.829 -3.548 1.00 72.22 H new ATOM 0 HA VAL A 96 -22.254 -5.803 -2.995 1.00 75.31 H new ATOM 0 HB VAL A 96 -24.109 -7.530 -1.436 1.00 62.42 H new ATOM 0 HG11 VAL A 96 -22.763 -7.401 0.620 1.00 51.35 H new ATOM 0 HG12 VAL A 96 -21.970 -8.393 -0.627 1.00 51.35 H new ATOM 0 HG13 VAL A 96 -21.404 -6.734 -0.315 1.00 51.35 H new ATOM 0 HG21 VAL A 96 -24.224 -5.515 -0.028 1.00 3.13 H new ATOM 0 HG22 VAL A 96 -22.924 -4.773 -0.990 1.00 3.13 H new ATOM 0 HG23 VAL A 96 -24.494 -5.136 -1.746 1.00 3.13 H new ATOM 1267 N SER A 97 -21.666 -9.052 -2.609 1.00 21.25 N ATOM 1268 CA SER A 97 -20.610 -10.058 -2.590 1.00 13.13 C ATOM 1269 C SER A 97 -20.086 -10.322 -3.998 1.00 13.10 C ATOM 1270 O SER A 97 -19.011 -10.893 -4.174 1.00 63.01 O ATOM 1271 CB SER A 97 -21.128 -11.359 -1.973 1.00 2.34 C ATOM 1272 OG SER A 97 -20.128 -11.984 -1.187 1.00 21.54 O ATOM 0 H SER A 97 -22.606 -9.424 -2.471 1.00 21.25 H new ATOM 0 HA SER A 97 -19.789 -9.677 -1.982 1.00 13.13 H new ATOM 0 HB2 SER A 97 -22.002 -11.150 -1.356 1.00 2.34 H new ATOM 0 HB3 SER A 97 -21.450 -12.037 -2.763 1.00 2.34 H new ATOM 0 HG SER A 97 -20.484 -12.812 -0.803 1.00 21.54 H new ATOM 1277 N GLY A 98 -20.855 -9.903 -4.997 1.00 41.50 N ATOM 1278 CA GLY A 98 -20.453 -10.103 -6.377 1.00 3.23 C ATOM 1279 C GLY A 98 -19.631 -8.949 -6.915 1.00 2.15 C ATOM 1280 O GLY A 98 -18.916 -9.095 -7.906 1.00 72.02 O ATOM 0 H GLY A 98 -21.750 -9.428 -4.876 1.00 41.50 H new ATOM 0 HA2 GLY A 98 -19.875 -11.024 -6.454 1.00 3.23 H new ATOM 0 HA3 GLY A 98 -21.341 -10.232 -6.996 1.00 3.23 H new ATOM 1283 N ARG A 99 -19.733 -7.796 -6.261 1.00 2.42 N ATOM 1284 CA ARG A 99 -18.994 -6.611 -6.681 1.00 53.51 C ATOM 1285 C ARG A 99 -17.596 -6.597 -6.071 1.00 34.40 C ATOM 1286 O ARG A 99 -16.597 -6.505 -6.784 1.00 21.53 O ATOM 1287 CB ARG A 99 -19.751 -5.343 -6.278 1.00 31.21 C ATOM 1288 CG ARG A 99 -20.705 -4.838 -7.348 1.00 14.24 C ATOM 1289 CD ARG A 99 -20.062 -3.756 -8.201 1.00 22.22 C ATOM 1290 NE ARG A 99 -19.635 -2.609 -7.403 1.00 55.23 N ATOM 1291 CZ ARG A 99 -18.840 -1.649 -7.862 1.00 73.43 C ATOM 1292 NH1 ARG A 99 -18.388 -1.698 -9.107 1.00 64.52 N ATOM 1293 NH2 ARG A 99 -18.496 -0.639 -7.075 1.00 20.24 N ATOM 0 H ARG A 99 -20.320 -7.657 -5.438 1.00 2.42 H new ATOM 0 HA ARG A 99 -18.897 -6.639 -7.766 1.00 53.51 H new ATOM 0 HB2 ARG A 99 -20.313 -5.540 -5.365 1.00 31.21 H new ATOM 0 HB3 ARG A 99 -19.031 -4.558 -6.045 1.00 31.21 H new ATOM 0 HG2 ARG A 99 -21.014 -5.668 -7.983 1.00 14.24 H new ATOM 0 HG3 ARG A 99 -21.606 -4.445 -6.877 1.00 14.24 H new ATOM 0 HD2 ARG A 99 -19.202 -4.172 -8.726 1.00 22.22 H new ATOM 0 HD3 ARG A 99 -20.770 -3.425 -8.961 1.00 22.22 H new ATOM 0 HE ARG A 99 -19.966 -2.542 -6.440 1.00 55.23 H new ATOM 0 HH11 ARG A 99 -18.651 -2.474 -9.715 1.00 64.52 H new ATOM 0 HH12 ARG A 99 -17.778 -0.960 -9.457 1.00 64.52 H new ATOM 0 HH21 ARG A 99 -18.842 -0.599 -6.116 1.00 20.24 H new ATOM 0 HH22 ARG A 99 -17.885 0.098 -7.428 1.00 20.24 H new ATOM 1304 N VAL A 100 -17.533 -6.689 -4.746 1.00 73.24 N ATOM 1305 CA VAL A 100 -16.257 -6.688 -4.039 1.00 41.51 C ATOM 1306 C VAL A 100 -15.389 -7.864 -4.471 1.00 63.11 C ATOM 1307 O VAL A 100 -14.165 -7.829 -4.337 1.00 25.15 O ATOM 1308 CB VAL A 100 -16.461 -6.747 -2.514 1.00 70.21 C ATOM 1309 CG1 VAL A 100 -15.127 -6.624 -1.792 1.00 63.21 C ATOM 1310 CG2 VAL A 100 -17.423 -5.660 -2.062 1.00 4.34 C ATOM 0 H VAL A 100 -18.350 -6.765 -4.141 1.00 73.24 H new ATOM 0 HA VAL A 100 -15.754 -5.756 -4.295 1.00 41.51 H new ATOM 0 HB VAL A 100 -16.897 -7.713 -2.261 1.00 70.21 H new ATOM 0 HG11 VAL A 100 -15.291 -6.668 -0.715 1.00 63.21 H new ATOM 0 HG12 VAL A 100 -14.473 -7.443 -2.093 1.00 63.21 H new ATOM 0 HG13 VAL A 100 -14.660 -5.673 -2.050 1.00 63.21 H new ATOM 0 HG21 VAL A 100 -17.555 -5.717 -0.982 1.00 4.34 H new ATOM 0 HG22 VAL A 100 -17.019 -4.683 -2.327 1.00 4.34 H new ATOM 0 HG23 VAL A 100 -18.386 -5.799 -2.553 1.00 4.34 H new ATOM 1320 N HIS A 101 -16.030 -8.906 -4.992 1.00 63.40 N ATOM 1321 CA HIS A 101 -15.315 -10.094 -5.446 1.00 31.53 C ATOM 1322 C HIS A 101 -14.189 -9.718 -6.404 1.00 1.13 C ATOM 1323 O HIS A 101 -13.136 -10.354 -6.421 1.00 13.30 O ATOM 1324 CB HIS A 101 -16.278 -11.065 -6.130 1.00 10.45 C ATOM 1325 CG HIS A 101 -15.803 -12.484 -6.122 1.00 53.13 C ATOM 1326 ND1 HIS A 101 -16.165 -13.394 -5.151 1.00 51.01 N ATOM 1327 CD2 HIS A 101 -14.991 -13.151 -6.975 1.00 62.41 C ATOM 1328 CE1 HIS A 101 -15.594 -14.558 -5.407 1.00 54.42 C ATOM 1329 NE2 HIS A 101 -14.877 -14.437 -6.510 1.00 15.40 N ATOM 0 H HIS A 101 -17.042 -8.952 -5.110 1.00 63.40 H new ATOM 0 HA HIS A 101 -14.879 -10.580 -4.573 1.00 31.53 H new ATOM 0 HB2 HIS A 101 -17.247 -11.012 -5.634 1.00 10.45 H new ATOM 0 HB3 HIS A 101 -16.430 -10.747 -7.162 1.00 10.45 H new ATOM 0 HD2 HIS A 101 -14.520 -12.746 -7.858 1.00 62.41 H new ATOM 0 HE1 HIS A 101 -15.696 -15.456 -4.815 1.00 54.42 H new ATOM 0 HE2 HIS A 101 -14.328 -15.179 -6.945 1.00 15.40 H new