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+ -162:sc= 0.0843 (180deg=0.00154) 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= -0.0875 K(o=-0.087,f=-0.73) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.0079 (180deg=-0.123) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.2) USER MOD Single : A 57 HIS : no HD1:sc= -0.0261 X(o=-0.026,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+ 166:sc= 0 (180deg=-0.081) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.276 F(o=-2,f=-0.28) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0.0237 X(o=0.024,f=-0.031) 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= -0.24 K(o=-0.24,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.622 31.978 17.311 1.00 33.11 N ATOM 281 CA LYS A 23 -6.784 31.289 16.765 1.00 51.34 C ATOM 282 C LYS A 23 -6.495 30.764 15.362 1.00 51.41 C ATOM 283 O LYS A 23 -6.354 29.558 15.156 1.00 75.11 O ATOM 284 CB LYS A 23 -7.992 32.228 16.731 1.00 45.00 C ATOM 285 CG LYS A 23 -7.637 33.662 16.380 1.00 61.30 C ATOM 286 CD LYS A 23 -8.100 34.631 17.456 1.00 44.24 C ATOM 287 CE LYS A 23 -7.053 34.794 18.547 1.00 24.44 C ATOM 288 NZ LYS A 23 -7.166 33.736 19.587 1.00 13.40 N ATOM 0 HA LYS A 23 -7.010 30.442 17.412 1.00 51.34 H new ATOM 0 HB2 LYS A 23 -8.713 31.853 16.005 1.00 45.00 H new ATOM 0 HB3 LYS A 23 -8.482 32.212 17.704 1.00 45.00 H new ATOM 0 HG2 LYS A 23 -6.558 33.749 16.250 1.00 61.30 H new ATOM 0 HG3 LYS A 23 -8.095 33.928 15.428 1.00 61.30 H new ATOM 0 HD2 LYS A 23 -8.313 35.601 17.007 1.00 44.24 H new ATOM 0 HD3 LYS A 23 -9.031 34.272 17.894 1.00 44.24 H new ATOM 0 HE2 LYS A 23 -6.058 34.762 18.103 1.00 24.44 H new ATOM 0 HE3 LYS A 23 -7.163 35.774 19.012 1.00 24.44 H new ATOM 0 HZ1 LYS A 23 -6.663 34.038 20.446 1.00 13.40 H new ATOM 0 HZ2 LYS A 23 -8.169 33.575 19.811 1.00 13.40 H new ATOM 0 HZ3 LYS A 23 -6.745 32.854 19.232 1.00 13.40 H new ATOM 298 N SER A 24 -6.407 31.677 14.400 1.00 51.11 N ATOM 299 CA SER A 24 -6.137 31.305 13.016 1.00 40.44 C ATOM 300 C SER A 24 -5.153 30.142 12.948 1.00 73.03 C ATOM 301 O SER A 24 -5.203 29.324 12.029 1.00 50.14 O ATOM 302 CB SER A 24 -5.583 32.503 12.243 1.00 61.41 C ATOM 303 OG SER A 24 -6.410 32.825 11.139 1.00 12.14 O ATOM 0 H SER A 24 -6.519 32.679 14.553 1.00 51.11 H new ATOM 0 HA SER A 24 -7.076 30.990 12.560 1.00 40.44 H new ATOM 0 HB2 SER A 24 -5.506 33.364 12.907 1.00 61.41 H new ATOM 0 HB3 SER A 24 -4.575 32.279 11.893 1.00 61.41 H new ATOM 0 HG SER A 24 -6.035 33.595 10.663 1.00 12.14 H new ATOM 308 N TYR A 25 -4.258 30.074 13.928 1.00 4.22 N ATOM 309 CA TYR A 25 -3.260 29.013 13.979 1.00 74.35 C ATOM 310 C TYR A 25 -3.807 27.785 14.701 1.00 63.53 C ATOM 311 O TYR A 25 -3.714 26.664 14.199 1.00 32.32 O ATOM 312 CB TYR A 25 -1.994 29.509 14.681 1.00 72.13 C ATOM 313 CG TYR A 25 -1.405 30.755 14.061 1.00 3.44 C ATOM 314 CD1 TYR A 25 -2.090 31.964 14.100 1.00 35.42 C ATOM 315 CD2 TYR A 25 -0.167 30.725 13.432 1.00 31.11 C ATOM 316 CE1 TYR A 25 -1.557 33.106 13.535 1.00 63.30 C ATOM 317 CE2 TYR A 25 0.374 31.862 12.865 1.00 24.22 C ATOM 318 CZ TYR A 25 -0.324 33.051 12.918 1.00 54.53 C ATOM 319 OH TYR A 25 0.210 34.185 12.353 1.00 65.54 O ATOM 0 H TYR A 25 -4.204 30.741 14.697 1.00 4.22 H new ATOM 0 HA TYR A 25 -3.014 28.731 12.955 1.00 74.35 H new ATOM 0 HB2 TYR A 25 -2.224 29.708 15.728 1.00 72.13 H new ATOM 0 HB3 TYR A 25 -1.246 28.717 14.664 1.00 72.13 H new ATOM 0 HD1 TYR A 25 -3.056 32.011 14.581 1.00 35.42 H new ATOM 0 HD2 TYR A 25 0.382 29.796 13.386 1.00 31.11 H new ATOM 0 HE1 TYR A 25 -2.102 34.037 13.576 1.00 63.30 H new ATOM 0 HE2 TYR A 25 1.339 31.821 12.382 1.00 24.22 H new ATOM 0 HH TYR A 25 1.083 33.975 11.961 1.00 65.54 H new ATOM 328 N ALA A 26 -4.378 28.005 15.879 1.00 74.21 N ATOM 329 CA ALA A 26 -4.942 26.918 16.670 1.00 51.11 C ATOM 330 C ALA A 26 -6.256 26.428 16.070 1.00 11.13 C ATOM 331 O ALA A 26 -6.451 25.229 15.876 1.00 0.41 O ATOM 332 CB ALA A 26 -5.150 27.364 18.110 1.00 4.43 C ATOM 0 H ALA A 26 -4.463 28.927 16.308 1.00 74.21 H new ATOM 0 HA ALA A 26 -4.235 26.088 16.658 1.00 51.11 H new ATOM 0 HB1 ALA A 26 -5.572 26.542 18.688 1.00 4.43 H new ATOM 0 HB2 ALA A 26 -4.193 27.658 18.542 1.00 4.43 H new ATOM 0 HB3 ALA A 26 -5.834 28.212 18.133 1.00 4.43 H new ATOM 338 N GLU A 27 -7.154 27.365 15.779 1.00 73.41 N ATOM 339 CA GLU A 27 -8.450 27.027 15.203 1.00 21.54 C ATOM 340 C GLU A 27 -8.282 26.196 13.935 1.00 50.01 C ATOM 341 O GLU A 27 -8.815 25.091 13.831 1.00 61.22 O ATOM 342 CB GLU A 27 -9.241 28.300 14.891 1.00 44.05 C ATOM 343 CG GLU A 27 -10.668 28.034 14.439 1.00 30.40 C ATOM 344 CD GLU A 27 -11.696 28.482 15.459 1.00 33.03 C ATOM 345 OE1 GLU A 27 -11.771 27.858 16.538 1.00 31.25 O ATOM 346 OE2 GLU A 27 -12.424 29.457 15.179 1.00 1.32 O ATOM 0 H GLU A 27 -7.008 28.363 15.933 1.00 73.41 H new ATOM 0 HA GLU A 27 -9.001 26.435 15.934 1.00 21.54 H new ATOM 0 HB2 GLU A 27 -9.262 28.932 15.779 1.00 44.05 H new ATOM 0 HB3 GLU A 27 -8.721 28.860 14.114 1.00 44.05 H new ATOM 0 HG2 GLU A 27 -10.849 28.550 13.496 1.00 30.40 H new ATOM 0 HG3 GLU A 27 -10.792 26.968 14.248 1.00 30.40 H new ATOM 351 N GLN A 28 -7.537 26.735 12.976 1.00 45.42 N ATOM 352 CA GLN A 28 -7.300 26.044 11.713 1.00 14.22 C ATOM 353 C GLN A 28 -6.907 24.590 11.955 1.00 41.11 C ATOM 354 O GLN A 28 -7.261 23.703 11.179 1.00 30.32 O ATOM 355 CB GLN A 28 -6.205 26.754 10.917 1.00 63.20 C ATOM 356 CG GLN A 28 -4.817 26.597 11.515 1.00 71.20 C ATOM 357 CD GLN A 28 -3.726 27.136 10.611 1.00 41.40 C ATOM 358 OE1 GLN A 28 -4.002 27.832 9.633 1.00 10.53 O ATOM 359 NE2 GLN A 28 -2.478 26.817 10.933 1.00 1.51 N ATOM 0 H GLN A 28 -7.087 27.647 13.049 1.00 45.42 H new ATOM 0 HA GLN A 28 -8.226 26.061 11.138 1.00 14.22 H new ATOM 0 HB2 GLN A 28 -6.198 26.366 9.899 1.00 63.20 H new ATOM 0 HB3 GLN A 28 -6.445 27.815 10.852 1.00 63.20 H new ATOM 0 HG2 GLN A 28 -4.778 27.115 12.473 1.00 71.20 H new ATOM 0 HG3 GLN A 28 -4.629 25.542 11.715 1.00 71.20 H new ATOM 0 HE21 GLN A 28 -2.295 26.238 11.752 1.00 1.51 H new ATOM 0 HE22 GLN A 28 -1.702 27.151 10.361 1.00 1.51 H new ATOM 366 N GLY A 29 -6.173 24.352 13.038 1.00 4.04 N ATOM 367 CA GLY A 29 -5.744 23.005 13.363 1.00 62.44 C ATOM 368 C GLY A 29 -6.874 22.150 13.899 1.00 13.52 C ATOM 369 O GLY A 29 -7.057 21.009 13.475 1.00 63.22 O ATOM 0 H GLY A 29 -5.868 25.069 13.696 1.00 4.04 H new ATOM 0 HA2 GLY A 29 -5.328 22.535 12.472 1.00 62.44 H new ATOM 0 HA3 GLY A 29 -4.945 23.050 14.103 1.00 62.44 H new ATOM 372 N LYS A 30 -7.636 22.701 14.839 1.00 51.34 N ATOM 373 CA LYS A 30 -8.755 21.982 15.437 1.00 61.03 C ATOM 374 C LYS A 30 -9.845 21.716 14.403 1.00 53.13 C ATOM 375 O LYS A 30 -10.350 20.599 14.295 1.00 62.25 O ATOM 376 CB LYS A 30 -9.331 22.778 16.609 1.00 20.24 C ATOM 377 CG LYS A 30 -9.091 22.130 17.962 1.00 1.34 C ATOM 378 CD LYS A 30 -8.407 23.086 18.925 1.00 43.21 C ATOM 379 CE LYS A 30 -6.896 23.055 18.761 1.00 40.25 C ATOM 380 NZ LYS A 30 -6.303 21.809 19.321 1.00 24.32 N ATOM 0 H LYS A 30 -7.498 23.644 15.203 1.00 51.34 H new ATOM 0 HA LYS A 30 -8.386 21.024 15.804 1.00 61.03 H new ATOM 0 HB2 LYS A 30 -8.892 23.776 16.610 1.00 20.24 H new ATOM 0 HB3 LYS A 30 -10.404 22.902 16.460 1.00 20.24 H new ATOM 0 HG2 LYS A 30 -10.042 21.805 18.384 1.00 1.34 H new ATOM 0 HG3 LYS A 30 -8.477 21.238 17.836 1.00 1.34 H new ATOM 0 HD2 LYS A 30 -8.772 24.099 18.755 1.00 43.21 H new ATOM 0 HD3 LYS A 30 -8.668 22.821 19.950 1.00 43.21 H new ATOM 0 HE2 LYS A 30 -6.644 23.134 17.704 1.00 40.25 H new ATOM 0 HE3 LYS A 30 -6.459 23.921 19.258 1.00 40.25 H new ATOM 0 HZ1 LYS A 30 -5.275 21.929 19.424 1.00 24.32 H new ATOM 0 HZ2 LYS A 30 -6.723 21.612 20.252 1.00 24.32 H new ATOM 0 HZ3 LYS A 30 -6.496 21.014 18.679 1.00 24.32 H new ATOM 390 N GLU A 31 -10.201 22.749 13.646 1.00 73.44 N ATOM 391 CA GLU A 31 -11.231 22.625 12.621 1.00 54.31 C ATOM 392 C GLU A 31 -11.038 21.348 11.809 1.00 51.14 C ATOM 393 O GLU A 31 -12.006 20.724 11.373 1.00 23.22 O ATOM 394 CB GLU A 31 -11.208 23.842 11.695 1.00 44.43 C ATOM 395 CG GLU A 31 -11.516 25.151 12.400 1.00 30.32 C ATOM 396 CD GLU A 31 -12.982 25.529 12.314 1.00 32.50 C ATOM 397 OE1 GLU A 31 -13.448 25.849 11.201 1.00 50.11 O ATOM 398 OE2 GLU A 31 -13.663 25.505 13.361 1.00 73.24 O ATOM 0 H GLU A 31 -9.792 23.680 13.723 1.00 73.44 H new ATOM 0 HA GLU A 31 -12.200 22.575 13.118 1.00 54.31 H new ATOM 0 HB2 GLU A 31 -10.226 23.913 11.228 1.00 44.43 H new ATOM 0 HB3 GLU A 31 -11.932 23.692 10.894 1.00 44.43 H new ATOM 0 HG2 GLU A 31 -11.226 25.072 13.448 1.00 30.32 H new ATOM 0 HG3 GLU A 31 -10.913 25.946 11.961 1.00 30.32 H new ATOM 403 N TYR A 32 -9.783 20.966 11.608 1.00 63.44 N ATOM 404 CA TYR A 32 -9.461 19.766 10.844 1.00 51.31 C ATOM 405 C TYR A 32 -9.692 18.510 11.680 1.00 2.42 C ATOM 406 O TYR A 32 -10.176 17.496 11.177 1.00 45.44 O ATOM 407 CB TYR A 32 -8.009 19.812 10.366 1.00 23.50 C ATOM 408 CG TYR A 32 -7.542 18.528 9.720 1.00 74.43 C ATOM 409 CD1 TYR A 32 -7.373 17.371 10.471 1.00 15.53 C ATOM 410 CD2 TYR A 32 -7.268 18.470 8.360 1.00 24.21 C ATOM 411 CE1 TYR A 32 -6.947 16.195 9.885 1.00 75.32 C ATOM 412 CE2 TYR A 32 -6.842 17.299 7.765 1.00 30.03 C ATOM 413 CZ TYR A 32 -6.682 16.164 8.532 1.00 0.42 C ATOM 414 OH TYR A 32 -6.258 14.995 7.945 1.00 65.54 O ATOM 0 H TYR A 32 -8.970 21.470 11.963 1.00 63.44 H new ATOM 0 HA TYR A 32 -10.121 19.732 9.977 1.00 51.31 H new ATOM 0 HB2 TYR A 32 -7.896 20.629 9.653 1.00 23.50 H new ATOM 0 HB3 TYR A 32 -7.363 20.037 11.215 1.00 23.50 H new ATOM 0 HD1 TYR A 32 -7.578 17.392 11.531 1.00 15.53 H new ATOM 0 HD2 TYR A 32 -7.390 19.357 7.756 1.00 24.21 H new ATOM 0 HE1 TYR A 32 -6.822 15.305 10.483 1.00 75.32 H new ATOM 0 HE2 TYR A 32 -6.635 17.272 6.705 1.00 30.03 H new ATOM 0 HH TYR A 32 -6.117 15.143 6.987 1.00 65.54 H new ATOM 423 N ILE A 33 -9.344 18.587 12.960 1.00 34.11 N ATOM 424 CA ILE A 33 -9.515 17.460 13.867 1.00 51.13 C ATOM 425 C ILE A 33 -10.959 17.355 14.348 1.00 53.24 C ATOM 426 O ILE A 33 -11.635 16.354 14.106 1.00 2.33 O ATOM 427 CB ILE A 33 -8.585 17.574 15.090 1.00 50.44 C ATOM 428 CG1 ILE A 33 -7.171 17.119 14.726 1.00 24.40 C ATOM 429 CG2 ILE A 33 -9.130 16.751 16.248 1.00 13.24 C ATOM 430 CD1 ILE A 33 -6.471 18.043 13.753 1.00 44.41 C ATOM 0 H ILE A 33 -8.942 19.419 13.392 1.00 34.11 H new ATOM 0 HA ILE A 33 -9.255 16.562 13.306 1.00 51.13 H new ATOM 0 HB ILE A 33 -8.542 18.618 15.400 1.00 50.44 H new ATOM 0 HG12 ILE A 33 -6.576 17.045 15.636 1.00 24.40 H new ATOM 0 HG13 ILE A 33 -7.219 16.119 14.295 1.00 24.40 H new ATOM 0 HG21 ILE A 33 -8.462 16.841 17.105 1.00 13.24 H new ATOM 0 HG22 ILE A 33 -10.120 17.116 16.520 1.00 13.24 H new ATOM 0 HG23 ILE A 33 -9.198 15.705 15.950 1.00 13.24 H new ATOM 0 HD11 ILE A 33 -5.473 17.659 13.540 1.00 44.41 H new ATOM 0 HD12 ILE A 33 -7.044 18.098 12.827 1.00 44.41 H new ATOM 0 HD13 ILE A 33 -6.391 19.038 14.190 1.00 44.41 H new ATOM 441 N THR A 34 -11.426 18.395 15.031 1.00 44.21 N ATOM 442 CA THR A 34 -12.789 18.422 15.545 1.00 53.30 C ATOM 443 C THR A 34 -13.728 17.613 14.658 1.00 25.12 C ATOM 444 O THR A 34 -14.496 16.782 15.143 1.00 34.22 O ATOM 445 CB THR A 34 -13.320 19.863 15.657 1.00 42.23 C ATOM 446 OG1 THR A 34 -14.735 19.848 15.878 1.00 70.31 O ATOM 447 CG2 THR A 34 -13.007 20.654 14.395 1.00 11.41 C ATOM 0 H THR A 34 -10.880 19.230 15.241 1.00 44.21 H new ATOM 0 HA THR A 34 -12.760 17.976 16.539 1.00 53.30 H new ATOM 0 HB THR A 34 -12.826 20.345 16.501 1.00 42.23 H new ATOM 0 HG1 THR A 34 -15.065 20.768 15.950 1.00 70.31 H new ATOM 0 HG21 THR A 34 -13.392 21.669 14.497 1.00 11.41 H new ATOM 0 HG22 THR A 34 -11.928 20.688 14.245 1.00 11.41 H new ATOM 0 HG23 THR A 34 -13.477 20.172 13.538 1.00 11.41 H new ATOM 604 N PRO A 46 -9.598 0.024 16.893 1.00 15.34 N ATOM 605 CA PRO A 46 -9.120 -0.895 17.931 1.00 61.33 C ATOM 606 C PRO A 46 -7.869 -1.654 17.500 1.00 41.41 C ATOM 607 O PRO A 46 -7.164 -2.226 18.330 1.00 51.53 O ATOM 608 CB PRO A 46 -10.292 -1.860 18.119 1.00 15.23 C ATOM 609 CG PRO A 46 -11.024 -1.825 16.822 1.00 42.13 C ATOM 610 CD PRO A 46 -10.867 -0.426 16.295 1.00 52.02 C ATOM 0 HA PRO A 46 -8.834 -0.368 18.842 1.00 61.33 H new ATOM 0 HB2 PRO A 46 -9.943 -2.867 18.349 1.00 15.23 H new ATOM 0 HB3 PRO A 46 -10.933 -1.548 18.944 1.00 15.23 H new ATOM 0 HG2 PRO A 46 -10.614 -2.554 16.123 1.00 42.13 H new ATOM 0 HG3 PRO A 46 -12.076 -2.074 16.961 1.00 42.13 H new ATOM 0 HD2 PRO A 46 -10.826 -0.409 15.206 1.00 52.02 H new ATOM 0 HD3 PRO A 46 -11.700 0.211 16.593 1.00 52.02 H new ATOM 615 N GLU A 47 -7.601 -1.653 16.197 1.00 13.05 N ATOM 616 CA GLU A 47 -6.435 -2.343 15.658 1.00 75.54 C ATOM 617 C GLU A 47 -5.226 -1.413 15.611 1.00 33.15 C ATOM 618 O GLU A 47 -4.142 -1.807 15.182 1.00 43.54 O ATOM 619 CB GLU A 47 -6.735 -2.878 14.257 1.00 54.25 C ATOM 620 CG GLU A 47 -7.325 -1.838 13.321 1.00 22.44 C ATOM 621 CD GLU A 47 -7.291 -2.273 11.869 1.00 1.32 C ATOM 622 OE1 GLU A 47 -6.179 -2.451 11.328 1.00 33.43 O ATOM 623 OE2 GLU A 47 -8.376 -2.436 11.272 1.00 23.13 O ATOM 0 H GLU A 47 -8.175 -1.183 15.497 1.00 13.05 H new ATOM 0 HA GLU A 47 -6.203 -3.180 16.317 1.00 75.54 H new ATOM 0 HB2 GLU A 47 -5.815 -3.266 13.821 1.00 54.25 H new ATOM 0 HB3 GLU A 47 -7.427 -3.716 14.338 1.00 54.25 H new ATOM 0 HG2 GLU A 47 -8.356 -1.636 13.612 1.00 22.44 H new ATOM 0 HG3 GLU A 47 -6.775 -0.903 13.429 1.00 22.44 H new ATOM 628 N ASP A 48 -5.421 -0.177 16.056 1.00 4.24 N ATOM 629 CA ASP A 48 -4.348 0.811 16.065 1.00 35.34 C ATOM 630 C ASP A 48 -3.337 0.505 17.167 1.00 10.42 C ATOM 631 O ASP A 48 -2.299 1.155 17.267 1.00 64.22 O ATOM 632 CB ASP A 48 -4.920 2.217 16.257 1.00 15.53 C ATOM 633 CG ASP A 48 -5.190 2.538 17.714 1.00 50.53 C ATOM 634 OD1 ASP A 48 -5.662 1.639 18.442 1.00 23.43 O ATOM 635 OD2 ASP A 48 -4.929 3.687 18.126 1.00 32.32 O ATOM 0 H ASP A 48 -6.312 0.165 16.415 1.00 4.24 H new ATOM 0 HA ASP A 48 -3.837 0.764 15.103 1.00 35.34 H new ATOM 0 HB2 ASP A 48 -4.222 2.949 15.850 1.00 15.53 H new ATOM 0 HB3 ASP A 48 -5.846 2.310 15.690 1.00 15.53 H new ATOM 639 N ASN A 49 -3.653 -0.489 17.991 1.00 73.32 N ATOM 640 CA ASN A 49 -2.773 -0.879 19.087 1.00 41.43 C ATOM 641 C ASN A 49 -1.383 -1.237 18.569 1.00 4.31 C ATOM 642 O ASN A 49 -0.379 -1.016 19.246 1.00 31.01 O ATOM 643 CB ASN A 49 -3.367 -2.068 19.846 1.00 32.04 C ATOM 644 CG ASN A 49 -2.640 -2.344 21.148 1.00 63.31 C ATOM 645 OD1 ASN A 49 -2.681 -1.538 22.077 1.00 34.12 O ATOM 646 ND2 ASN A 49 -1.970 -3.488 21.221 1.00 62.01 N ATOM 0 H ASN A 49 -4.510 -1.038 17.921 1.00 73.32 H new ATOM 0 HA ASN A 49 -2.681 -0.031 19.765 1.00 41.43 H new ATOM 0 HB2 ASN A 49 -4.419 -1.874 20.055 1.00 32.04 H new ATOM 0 HB3 ASN A 49 -3.326 -2.956 19.215 1.00 32.04 H new ATOM 0 HD21 ASN A 49 -1.462 -3.728 22.072 1.00 62.01 H new ATOM 0 HD22 ASN A 49 -1.963 -4.127 20.426 1.00 62.01 H new ATOM 652 N LYS A 50 -1.332 -1.790 17.362 1.00 4.20 N ATOM 653 CA LYS A 50 -0.067 -2.176 16.749 1.00 12.20 C ATOM 654 C LYS A 50 0.738 -0.947 16.341 1.00 34.01 C ATOM 655 O LYS A 50 1.960 -1.007 16.213 1.00 73.22 O ATOM 656 CB LYS A 50 -0.318 -3.063 15.527 1.00 73.11 C ATOM 657 CG LYS A 50 0.892 -3.881 15.110 1.00 42.12 C ATOM 658 CD LYS A 50 1.359 -4.796 16.230 1.00 22.33 C ATOM 659 CE LYS A 50 2.011 -6.057 15.683 1.00 12.13 C ATOM 660 NZ LYS A 50 1.079 -7.219 15.712 1.00 11.02 N ATOM 0 H LYS A 50 -2.153 -1.981 16.788 1.00 4.20 H new ATOM 0 HA LYS A 50 0.508 -2.737 17.486 1.00 12.20 H new ATOM 0 HB2 LYS A 50 -1.146 -3.738 15.743 1.00 73.11 H new ATOM 0 HB3 LYS A 50 -0.628 -2.436 14.691 1.00 73.11 H new ATOM 0 HG2 LYS A 50 0.644 -4.477 14.231 1.00 42.12 H new ATOM 0 HG3 LYS A 50 1.703 -3.212 14.823 1.00 42.12 H new ATOM 0 HD2 LYS A 50 2.068 -4.264 16.864 1.00 22.33 H new ATOM 0 HD3 LYS A 50 0.510 -5.067 16.858 1.00 22.33 H new ATOM 0 HE2 LYS A 50 2.341 -5.881 14.659 1.00 12.13 H new ATOM 0 HE3 LYS A 50 2.900 -6.290 16.269 1.00 12.13 H new ATOM 0 HZ1 LYS A 50 1.560 -8.059 15.331 1.00 11.02 H new ATOM 0 HZ2 LYS A 50 0.784 -7.403 16.692 1.00 11.02 H new ATOM 0 HZ3 LYS A 50 0.242 -7.007 15.133 1.00 11.02 H new ATOM 670 N GLY A 51 0.045 0.169 16.140 1.00 4.11 N ATOM 671 CA GLY A 51 0.712 1.398 15.750 1.00 51.22 C ATOM 672 C GLY A 51 1.755 1.837 16.760 1.00 3.53 C ATOM 673 O GLY A 51 2.721 2.514 16.410 1.00 71.25 O ATOM 0 H GLY A 51 -0.967 0.244 16.240 1.00 4.11 H new ATOM 0 HA2 GLY A 51 1.187 1.258 14.779 1.00 51.22 H new ATOM 0 HA3 GLY A 51 -0.029 2.188 15.631 1.00 51.22 H new ATOM 676 N VAL A 52 1.557 1.453 18.017 1.00 44.44 N ATOM 677 CA VAL A 52 2.487 1.811 19.081 1.00 22.21 C ATOM 678 C VAL A 52 3.861 1.197 18.839 1.00 31.10 C ATOM 679 O VAL A 52 4.887 1.814 19.123 1.00 33.42 O ATOM 680 CB VAL A 52 1.968 1.356 20.457 1.00 0.44 C ATOM 681 CG1 VAL A 52 0.539 1.832 20.673 1.00 12.15 C ATOM 682 CG2 VAL A 52 2.059 -0.157 20.587 1.00 25.13 C ATOM 0 H VAL A 52 0.761 0.894 18.323 1.00 44.44 H new ATOM 0 HA VAL A 52 2.572 2.898 19.075 1.00 22.21 H new ATOM 0 HB VAL A 52 2.595 1.803 21.228 1.00 0.44 H new ATOM 0 HG11 VAL A 52 0.189 1.501 21.651 1.00 12.15 H new ATOM 0 HG12 VAL A 52 0.507 2.920 20.626 1.00 12.15 H new ATOM 0 HG13 VAL A 52 -0.104 1.416 19.898 1.00 12.15 H new ATOM 0 HG21 VAL A 52 1.688 -0.461 21.566 1.00 25.13 H new ATOM 0 HG22 VAL A 52 1.457 -0.626 19.809 1.00 25.13 H new ATOM 0 HG23 VAL A 52 3.098 -0.470 20.480 1.00 25.13 H new ATOM 692 N PHE A 53 3.873 -0.024 18.314 1.00 23.13 N ATOM 693 CA PHE A 53 5.123 -0.723 18.034 1.00 1.44 C ATOM 694 C PHE A 53 5.674 -0.326 16.668 1.00 14.44 C ATOM 695 O PHE A 53 6.770 -0.737 16.288 1.00 62.01 O ATOM 696 CB PHE A 53 4.907 -2.236 18.090 1.00 55.14 C ATOM 697 CG PHE A 53 4.993 -2.804 19.478 1.00 10.14 C ATOM 698 CD1 PHE A 53 3.867 -2.871 20.285 1.00 64.44 C ATOM 699 CD2 PHE A 53 6.198 -3.269 19.977 1.00 34.51 C ATOM 700 CE1 PHE A 53 3.944 -3.393 21.562 1.00 12.44 C ATOM 701 CE2 PHE A 53 6.281 -3.792 21.254 1.00 14.23 C ATOM 702 CZ PHE A 53 5.152 -3.852 22.048 1.00 53.23 C ATOM 0 H PHE A 53 3.033 -0.550 18.074 1.00 23.13 H new ATOM 0 HA PHE A 53 5.849 -0.438 18.795 1.00 1.44 H new ATOM 0 HB2 PHE A 53 3.929 -2.471 17.670 1.00 55.14 H new ATOM 0 HB3 PHE A 53 5.650 -2.724 17.460 1.00 55.14 H new ATOM 0 HD1 PHE A 53 2.920 -2.511 19.911 1.00 64.44 H new ATOM 0 HD2 PHE A 53 7.084 -3.223 19.361 1.00 34.51 H new ATOM 0 HE1 PHE A 53 3.059 -3.442 22.180 1.00 12.44 H new ATOM 0 HE2 PHE A 53 7.227 -4.153 21.630 1.00 14.23 H new ATOM 0 HZ PHE A 53 5.214 -4.257 23.047 1.00 53.23 H new ATOM 711 N GLN A 54 4.905 0.474 15.936 1.00 0.10 N ATOM 712 CA GLN A 54 5.316 0.925 14.611 1.00 72.10 C ATOM 713 C GLN A 54 6.618 1.716 14.686 1.00 52.22 C ATOM 714 O GLN A 54 7.360 1.803 13.708 1.00 24.12 O ATOM 715 CB GLN A 54 4.220 1.783 13.979 1.00 51.31 C ATOM 716 CG GLN A 54 4.221 1.748 12.459 1.00 61.21 C ATOM 717 CD GLN A 54 3.400 2.867 11.849 1.00 72.21 C ATOM 718 OE1 GLN A 54 2.796 3.669 12.562 1.00 20.30 O ATOM 719 NE2 GLN A 54 3.375 2.928 10.523 1.00 41.43 N ATOM 0 H GLN A 54 3.995 0.823 16.237 1.00 0.10 H new ATOM 0 HA GLN A 54 5.482 0.045 13.990 1.00 72.10 H new ATOM 0 HB2 GLN A 54 3.250 1.443 14.341 1.00 51.31 H new ATOM 0 HB3 GLN A 54 4.341 2.814 14.311 1.00 51.31 H new ATOM 0 HG2 GLN A 54 5.247 1.817 12.098 1.00 61.21 H new ATOM 0 HG3 GLN A 54 3.829 0.789 12.121 1.00 61.21 H new ATOM 0 HE21 GLN A 54 3.891 2.242 9.971 1.00 41.43 H new ATOM 0 HE22 GLN A 54 2.840 3.661 10.056 1.00 41.43 H new ATOM 726 N GLY A 55 6.890 2.291 15.854 1.00 5.33 N ATOM 727 CA GLY A 55 8.103 3.068 16.033 1.00 51.55 C ATOM 728 C GLY A 55 9.259 2.229 16.541 1.00 12.51 C ATOM 729 O GLY A 55 10.371 2.311 16.019 1.00 54.11 O ATOM 0 H GLY A 55 6.293 2.233 16.679 1.00 5.33 H new ATOM 0 HA2 GLY A 55 8.380 3.527 15.084 1.00 51.55 H new ATOM 0 HA3 GLY A 55 7.911 3.879 16.735 1.00 51.55 H new ATOM 732 N VAL A 56 8.997 1.420 17.563 1.00 0.34 N ATOM 733 CA VAL A 56 10.024 0.564 18.142 1.00 55.12 C ATOM 734 C VAL A 56 10.438 -0.533 17.168 1.00 74.32 C ATOM 735 O VAL A 56 11.611 -0.901 17.093 1.00 25.30 O ATOM 736 CB VAL A 56 9.541 -0.085 19.453 1.00 4.24 C ATOM 737 CG1 VAL A 56 9.251 0.980 20.501 1.00 45.55 C ATOM 738 CG2 VAL A 56 8.311 -0.943 19.200 1.00 55.44 C ATOM 0 H VAL A 56 8.082 1.340 18.006 1.00 0.34 H new ATOM 0 HA VAL A 56 10.883 1.200 18.355 1.00 55.12 H new ATOM 0 HB VAL A 56 10.334 -0.729 19.833 1.00 4.24 H new ATOM 0 HG11 VAL A 56 8.911 0.503 21.420 1.00 45.55 H new ATOM 0 HG12 VAL A 56 10.158 1.549 20.702 1.00 45.55 H new ATOM 0 HG13 VAL A 56 8.476 1.651 20.132 1.00 45.55 H new ATOM 0 HG21 VAL A 56 7.983 -1.394 20.137 1.00 55.44 H new ATOM 0 HG22 VAL A 56 7.511 -0.322 18.796 1.00 55.44 H new ATOM 0 HG23 VAL A 56 8.556 -1.729 18.485 1.00 55.44 H new ATOM 748 N HIS A 57 9.468 -1.053 16.424 1.00 60.22 N ATOM 749 CA HIS A 57 9.732 -2.109 15.452 1.00 44.01 C ATOM 750 C HIS A 57 10.904 -1.735 14.549 1.00 60.41 C ATOM 751 O HIS A 57 11.888 -2.469 14.457 1.00 61.34 O ATOM 752 CB HIS A 57 8.487 -2.375 14.606 1.00 42.44 C ATOM 753 CG HIS A 57 8.658 -3.494 13.625 1.00 50.40 C ATOM 754 ND1 HIS A 57 8.313 -4.800 13.904 1.00 0.52 N ATOM 755 CD2 HIS A 57 9.139 -3.496 12.359 1.00 34.31 C ATOM 756 CE1 HIS A 57 8.576 -5.556 12.853 1.00 54.31 C ATOM 757 NE2 HIS A 57 9.077 -4.790 11.903 1.00 61.02 N ATOM 0 H HIS A 57 8.492 -0.761 16.475 1.00 60.22 H new ATOM 0 HA HIS A 57 9.991 -3.016 15.999 1.00 44.01 H new ATOM 0 HB2 HIS A 57 7.651 -2.606 15.267 1.00 42.44 H new ATOM 0 HB3 HIS A 57 8.224 -1.466 14.065 1.00 42.44 H new ATOM 0 HD2 HIS A 57 9.503 -2.640 11.810 1.00 34.31 H new ATOM 0 HE1 HIS A 57 8.409 -6.621 12.783 1.00 54.31 H new ATOM 0 HE2 HIS A 57 9.371 -5.107 10.979 1.00 61.02 H new ATOM 764 N ASP A 58 10.791 -0.591 13.884 1.00 13.13 N ATOM 765 CA ASP A 58 11.841 -0.119 12.989 1.00 60.04 C ATOM 766 C ASP A 58 13.100 0.242 13.771 1.00 73.43 C ATOM 767 O ASP A 58 14.183 0.373 13.199 1.00 50.51 O ATOM 768 CB ASP A 58 11.356 1.092 12.192 1.00 12.54 C ATOM 769 CG ASP A 58 11.306 0.823 10.701 1.00 54.34 C ATOM 770 OD1 ASP A 58 11.029 -0.333 10.316 1.00 32.14 O ATOM 771 OD2 ASP A 58 11.546 1.766 9.918 1.00 61.35 O ATOM 0 H ASP A 58 9.982 0.027 13.948 1.00 13.13 H new ATOM 0 HA ASP A 58 12.083 -0.925 12.297 1.00 60.04 H new ATOM 0 HB2 ASP A 58 10.363 1.378 12.540 1.00 12.54 H new ATOM 0 HB3 ASP A 58 12.017 1.937 12.384 1.00 12.54 H new ATOM 775 N SER A 59 12.950 0.403 15.082 1.00 71.32 N ATOM 776 CA SER A 59 14.075 0.755 15.942 1.00 43.34 C ATOM 777 C SER A 59 14.880 -0.486 16.318 1.00 10.44 C ATOM 778 O SER A 59 16.091 -0.414 16.521 1.00 42.44 O ATOM 779 CB SER A 59 13.576 1.457 17.206 1.00 74.11 C ATOM 780 OG SER A 59 14.112 2.764 17.309 1.00 23.51 O ATOM 0 H SER A 59 12.062 0.296 15.572 1.00 71.32 H new ATOM 0 HA SER A 59 14.725 1.434 15.391 1.00 43.34 H new ATOM 0 HB2 SER A 59 12.487 1.507 17.192 1.00 74.11 H new ATOM 0 HB3 SER A 59 13.857 0.875 18.084 1.00 74.11 H new ATOM 0 HG SER A 59 13.776 3.192 18.124 1.00 23.51 H new ATOM 785 N ALA A 60 14.196 -1.622 16.409 1.00 30.35 N ATOM 786 CA ALA A 60 14.845 -2.878 16.759 1.00 31.20 C ATOM 787 C ALA A 60 15.348 -3.602 15.515 1.00 22.32 C ATOM 788 O ALA A 60 15.744 -4.765 15.579 1.00 34.32 O ATOM 789 CB ALA A 60 13.888 -3.768 17.538 1.00 33.32 C ATOM 0 H ALA A 60 13.192 -1.697 16.245 1.00 30.35 H new ATOM 0 HA ALA A 60 15.706 -2.650 17.388 1.00 31.20 H new ATOM 0 HB1 ALA A 60 14.387 -4.703 17.793 1.00 33.32 H new ATOM 0 HB2 ALA A 60 13.581 -3.260 18.452 1.00 33.32 H new ATOM 0 HB3 ALA A 60 13.010 -3.980 16.928 1.00 33.32 H new ATOM 795 N GLU A 61 15.329 -2.905 14.382 1.00 15.05 N ATOM 796 CA GLU A 61 15.782 -3.482 13.123 1.00 44.20 C ATOM 797 C GLU A 61 17.202 -4.025 13.252 1.00 33.33 C ATOM 798 O GLU A 61 17.535 -5.069 12.690 1.00 22.32 O ATOM 799 CB GLU A 61 15.723 -2.438 12.006 1.00 20.43 C ATOM 800 CG GLU A 61 15.939 -3.017 10.619 1.00 43.01 C ATOM 801 CD GLU A 61 15.416 -2.112 9.520 1.00 71.11 C ATOM 802 OE1 GLU A 61 14.616 -1.205 9.831 1.00 34.02 O ATOM 803 OE2 GLU A 61 15.806 -2.310 8.352 1.00 65.02 O ATOM 0 H GLU A 61 15.005 -1.941 14.312 1.00 15.05 H new ATOM 0 HA GLU A 61 15.117 -4.309 12.873 1.00 44.20 H new ATOM 0 HB2 GLU A 61 14.753 -1.941 12.036 1.00 20.43 H new ATOM 0 HB3 GLU A 61 16.478 -1.675 12.193 1.00 20.43 H new ATOM 0 HG2 GLU A 61 17.004 -3.192 10.464 1.00 43.01 H new ATOM 0 HG3 GLU A 61 15.444 -3.986 10.553 1.00 43.01 H new ATOM 808 N LYS A 62 18.037 -3.309 13.998 1.00 23.33 N ATOM 809 CA LYS A 62 19.422 -3.716 14.204 1.00 30.30 C ATOM 810 C LYS A 62 19.497 -4.970 15.069 1.00 13.04 C ATOM 811 O LYS A 62 20.227 -5.910 14.756 1.00 3.22 O ATOM 812 CB LYS A 62 20.216 -2.584 14.858 1.00 64.22 C ATOM 813 CG LYS A 62 20.566 -1.455 13.903 1.00 41.05 C ATOM 814 CD LYS A 62 21.794 -1.791 13.071 1.00 3.15 C ATOM 815 CE LYS A 62 22.481 -0.533 12.560 1.00 22.11 C ATOM 816 NZ LYS A 62 23.879 -0.803 12.125 1.00 11.53 N ATOM 0 H LYS A 62 17.778 -2.443 14.470 1.00 23.33 H new ATOM 0 HA LYS A 62 19.857 -3.941 13.230 1.00 30.30 H new ATOM 0 HB2 LYS A 62 19.638 -2.180 15.689 1.00 64.22 H new ATOM 0 HB3 LYS A 62 21.136 -2.992 15.278 1.00 64.22 H new ATOM 0 HG2 LYS A 62 19.721 -1.259 13.243 1.00 41.05 H new ATOM 0 HG3 LYS A 62 20.747 -0.541 14.469 1.00 41.05 H new ATOM 0 HD2 LYS A 62 22.494 -2.371 13.672 1.00 3.15 H new ATOM 0 HD3 LYS A 62 21.503 -2.417 12.227 1.00 3.15 H new ATOM 0 HE2 LYS A 62 21.913 -0.123 11.725 1.00 22.11 H new ATOM 0 HE3 LYS A 62 22.484 0.223 13.345 1.00 22.11 H new ATOM 0 HZ1 LYS A 62 24.313 0.078 11.784 1.00 11.53 H new ATOM 0 HZ2 LYS A 62 24.428 -1.170 12.928 1.00 11.53 H new ATOM 0 HZ3 LYS A 62 23.874 -1.506 11.359 1.00 11.53 H new ATOM 826 N GLY A 63 18.737 -4.977 16.161 1.00 11.33 N ATOM 827 CA GLY A 63 18.732 -6.121 17.054 1.00 1.22 C ATOM 828 C GLY A 63 17.862 -7.252 16.541 1.00 62.25 C ATOM 829 O GLY A 63 17.763 -8.304 17.172 1.00 54.01 O ATOM 0 H GLY A 63 18.125 -4.211 16.443 1.00 11.33 H new ATOM 0 HA2 GLY A 63 19.752 -6.482 17.184 1.00 1.22 H new ATOM 0 HA3 GLY A 63 18.377 -5.810 18.036 1.00 1.22 H new ATOM 832 N LYS A 64 17.230 -7.037 15.393 1.00 24.12 N ATOM 833 CA LYS A 64 16.364 -8.046 14.795 1.00 41.03 C ATOM 834 C LYS A 64 16.903 -8.491 13.438 1.00 35.15 C ATOM 835 O LYS A 64 16.140 -8.873 12.551 1.00 34.32 O ATOM 836 CB LYS A 64 14.944 -7.500 14.636 1.00 14.34 C ATOM 837 CG LYS A 64 13.903 -8.577 14.381 1.00 51.23 C ATOM 838 CD LYS A 64 13.184 -8.972 15.660 1.00 44.54 C ATOM 839 CE LYS A 64 11.919 -8.152 15.864 1.00 22.23 C ATOM 840 NZ LYS A 64 10.829 -8.574 14.941 1.00 31.12 N ATOM 0 H LYS A 64 17.301 -6.172 14.857 1.00 24.12 H new ATOM 0 HA LYS A 64 16.343 -8.910 15.460 1.00 41.03 H new ATOM 0 HB2 LYS A 64 14.672 -6.950 15.537 1.00 14.34 H new ATOM 0 HB3 LYS A 64 14.928 -6.788 13.811 1.00 14.34 H new ATOM 0 HG2 LYS A 64 13.178 -8.218 13.651 1.00 51.23 H new ATOM 0 HG3 LYS A 64 14.384 -9.454 13.947 1.00 51.23 H new ATOM 0 HD2 LYS A 64 12.930 -10.031 15.624 1.00 44.54 H new ATOM 0 HD3 LYS A 64 13.850 -8.833 16.511 1.00 44.54 H new ATOM 0 HE2 LYS A 64 11.582 -8.255 16.895 1.00 22.23 H new ATOM 0 HE3 LYS A 64 12.141 -7.097 15.705 1.00 22.23 H new ATOM 0 HZ1 LYS A 64 9.926 -8.168 15.261 1.00 31.12 H new ATOM 0 HZ2 LYS A 64 11.038 -8.237 13.980 1.00 31.12 H new ATOM 0 HZ3 LYS A 64 10.760 -9.612 14.937 1.00 31.12 H new ATOM 850 N ASP A 65 18.222 -8.440 13.285 1.00 33.54 N ATOM 851 CA ASP A 65 18.863 -8.840 12.038 1.00 24.44 C ATOM 852 C ASP A 65 19.540 -10.198 12.186 1.00 11.15 C ATOM 853 O ASP A 65 20.336 -10.601 11.339 1.00 74.45 O ATOM 854 CB ASP A 65 19.888 -7.789 11.607 1.00 0.42 C ATOM 855 CG ASP A 65 19.335 -6.832 10.570 1.00 4.41 C ATOM 856 OD1 ASP A 65 18.673 -7.303 9.622 1.00 63.23 O ATOM 857 OD2 ASP A 65 19.564 -5.612 10.705 1.00 33.44 O ATOM 0 H ASP A 65 18.868 -8.126 14.009 1.00 33.54 H new ATOM 0 HA ASP A 65 18.092 -8.921 11.271 1.00 24.44 H new ATOM 0 HB2 ASP A 65 20.214 -7.225 12.480 1.00 0.42 H new ATOM 0 HB3 ASP A 65 20.768 -8.289 11.203 1.00 0.42 H new ATOM 861 N ASN A 66 19.218 -10.899 13.268 1.00 72.40 N ATOM 862 CA ASN A 66 19.797 -12.212 13.529 1.00 43.21 C ATOM 863 C ASN A 66 19.720 -13.095 12.287 1.00 73.14 C ATOM 864 O ASN A 66 20.515 -14.021 12.122 1.00 12.01 O ATOM 865 CB ASN A 66 19.074 -12.889 14.695 1.00 10.13 C ATOM 866 CG ASN A 66 17.663 -12.363 14.885 1.00 61.35 C ATOM 867 OD1 ASN A 66 16.873 -12.394 13.818 1.00 2.33 O flip ATOM 868 ND2 ASN A 66 17.291 -11.936 15.977 1.00 54.31 N flip ATOM 0 H ASN A 66 18.559 -10.580 13.978 1.00 72.40 H new ATOM 0 HA ASN A 66 20.846 -12.074 13.792 1.00 43.21 H new ATOM 0 HB2 ASN A 66 19.038 -13.964 14.521 1.00 10.13 H new ATOM 0 HB3 ASN A 66 19.643 -12.733 15.611 1.00 10.13 H new ATOM 0 HD21 ASN A 66 17.934 -11.932 16.769 1.00 54.31 H new ATOM 0 HD22 ASN A 66 16.340 -11.586 16.091 1.00 54.31 H new ATOM 874 N ALA A 67 18.759 -12.803 11.417 1.00 31.22 N ATOM 875 CA ALA A 67 18.580 -13.569 10.190 1.00 62.24 C ATOM 876 C ALA A 67 19.895 -13.695 9.426 1.00 12.44 C ATOM 877 O ALA A 67 20.117 -14.674 8.715 1.00 3.42 O ATOM 878 CB ALA A 67 17.518 -12.921 9.314 1.00 72.11 C ATOM 0 H ALA A 67 18.092 -12.041 11.539 1.00 31.22 H new ATOM 0 HA ALA A 67 18.249 -14.572 10.461 1.00 62.24 H new ATOM 0 HB1 ALA A 67 17.395 -13.503 8.401 1.00 72.11 H new ATOM 0 HB2 ALA A 67 16.572 -12.888 9.854 1.00 72.11 H new ATOM 0 HB3 ALA A 67 17.826 -11.907 9.059 1.00 72.11 H new ATOM 947 N LEU A 74 29.458 -19.679 12.317 1.00 64.35 N ATOM 948 CA LEU A 74 29.927 -19.480 10.950 1.00 63.02 C ATOM 949 C LEU A 74 30.333 -20.807 10.315 1.00 61.41 C ATOM 950 O LEU A 74 30.589 -20.878 9.113 1.00 13.30 O ATOM 951 CB LEU A 74 31.110 -18.510 10.931 1.00 12.02 C ATOM 952 CG LEU A 74 30.834 -17.105 11.468 1.00 22.22 C ATOM 953 CD1 LEU A 74 29.478 -16.609 10.991 1.00 0.40 C ATOM 954 CD2 LEU A 74 30.905 -17.091 12.987 1.00 34.45 C ATOM 0 HA LEU A 74 29.108 -19.056 10.370 1.00 63.02 H new ATOM 0 HB2 LEU A 74 31.922 -18.947 11.513 1.00 12.02 H new ATOM 0 HB3 LEU A 74 31.465 -18.422 9.904 1.00 12.02 H new ATOM 0 HG LEU A 74 31.600 -16.432 11.083 1.00 22.22 H new ATOM 0 HD11 LEU A 74 29.298 -15.608 11.383 1.00 0.40 H new ATOM 0 HD12 LEU A 74 29.464 -16.580 9.901 1.00 0.40 H new ATOM 0 HD13 LEU A 74 28.698 -17.283 11.346 1.00 0.40 H new ATOM 0 HD21 LEU A 74 30.706 -16.083 13.351 1.00 34.45 H new ATOM 0 HD22 LEU A 74 30.161 -17.777 13.392 1.00 34.45 H new ATOM 0 HD23 LEU A 74 31.899 -17.403 13.308 1.00 34.45 H new ATOM 965 N ALA A 75 30.388 -21.854 11.129 1.00 54.25 N ATOM 966 CA ALA A 75 30.757 -23.179 10.647 1.00 71.41 C ATOM 967 C ALA A 75 29.554 -23.905 10.057 1.00 3.43 C ATOM 968 O ALA A 75 29.681 -24.656 9.091 1.00 43.35 O ATOM 969 CB ALA A 75 31.371 -23.999 11.773 1.00 23.21 C ATOM 0 H ALA A 75 30.182 -21.811 12.127 1.00 54.25 H new ATOM 0 HA ALA A 75 31.497 -23.056 9.856 1.00 71.41 H new ATOM 0 HB1 ALA A 75 31.642 -24.986 11.398 1.00 23.21 H new ATOM 0 HB2 ALA A 75 32.263 -23.495 12.146 1.00 23.21 H new ATOM 0 HB3 ALA A 75 30.649 -24.104 12.583 1.00 23.21 H new ATOM 975 N ASP A 76 28.385 -23.676 10.646 1.00 1.34 N ATOM 976 CA ASP A 76 27.156 -24.308 10.177 1.00 34.33 C ATOM 977 C ASP A 76 26.946 -24.052 8.689 1.00 1.12 C ATOM 978 O ASP A 76 26.580 -24.956 7.939 1.00 53.42 O ATOM 979 CB ASP A 76 25.956 -23.789 10.972 1.00 70.12 C ATOM 980 CG ASP A 76 24.752 -24.705 10.867 1.00 65.35 C ATOM 981 OD1 ASP A 76 24.432 -25.138 9.739 1.00 1.05 O ATOM 982 OD2 ASP A 76 24.132 -24.992 11.911 1.00 33.10 O ATOM 0 H ASP A 76 28.262 -23.058 11.448 1.00 1.34 H new ATOM 0 HA ASP A 76 27.247 -25.383 10.332 1.00 34.33 H new ATOM 0 HB2 ASP A 76 26.237 -23.682 12.020 1.00 70.12 H new ATOM 0 HB3 ASP A 76 25.686 -22.797 10.611 1.00 70.12 H new ATOM 986 N GLN A 77 27.180 -22.812 8.268 1.00 11.11 N ATOM 987 CA GLN A 77 27.014 -22.438 6.869 1.00 24.42 C ATOM 988 C GLN A 77 28.181 -22.944 6.028 1.00 4.12 C ATOM 989 O GLN A 77 27.989 -23.443 4.919 1.00 4.45 O ATOM 990 CB GLN A 77 26.897 -20.918 6.737 1.00 43.30 C ATOM 991 CG GLN A 77 26.130 -20.265 7.876 1.00 71.33 C ATOM 992 CD GLN A 77 25.210 -19.158 7.402 1.00 1.20 C ATOM 993 OE1 GLN A 77 25.658 -18.168 6.823 1.00 41.41 O ATOM 994 NE2 GLN A 77 23.915 -19.320 7.645 1.00 10.23 N ATOM 0 H GLN A 77 27.485 -22.051 8.875 1.00 11.11 H new ATOM 0 HA GLN A 77 26.098 -22.900 6.501 1.00 24.42 H new ATOM 0 HB2 GLN A 77 27.897 -20.488 6.690 1.00 43.30 H new ATOM 0 HB3 GLN A 77 26.403 -20.680 5.795 1.00 43.30 H new ATOM 0 HG2 GLN A 77 25.543 -21.023 8.395 1.00 71.33 H new ATOM 0 HG3 GLN A 77 26.837 -19.859 8.599 1.00 71.33 H new ATOM 0 HE21 GLN A 77 23.587 -20.157 8.128 1.00 10.23 H new ATOM 0 HE22 GLN A 77 23.248 -18.608 7.349 1.00 10.23 H new ATOM 1001 N ALA A 78 29.390 -22.813 6.562 1.00 63.41 N ATOM 1002 CA ALA A 78 30.588 -23.259 5.861 1.00 23.11 C ATOM 1003 C ALA A 78 30.356 -24.603 5.179 1.00 42.33 C ATOM 1004 O ALA A 78 30.899 -24.868 4.106 1.00 75.31 O ATOM 1005 CB ALA A 78 31.761 -23.350 6.825 1.00 13.45 C ATOM 0 H ALA A 78 29.566 -22.401 7.478 1.00 63.41 H new ATOM 0 HA ALA A 78 30.822 -22.525 5.090 1.00 23.11 H new ATOM 0 HB1 ALA A 78 32.648 -23.684 6.288 1.00 13.45 H new ATOM 0 HB2 ALA A 78 31.949 -22.370 7.262 1.00 13.45 H new ATOM 0 HB3 ALA A 78 31.527 -24.062 7.617 1.00 13.45 H new ATOM 1011 N ARG A 79 29.545 -25.448 5.808 1.00 65.21 N ATOM 1012 CA ARG A 79 29.244 -26.766 5.262 1.00 1.24 C ATOM 1013 C ARG A 79 28.338 -26.654 4.039 1.00 23.15 C ATOM 1014 O ARG A 79 28.698 -27.088 2.945 1.00 41.10 O ATOM 1015 CB ARG A 79 28.577 -27.642 6.324 1.00 11.13 C ATOM 1016 CG ARG A 79 29.250 -27.566 7.685 1.00 72.12 C ATOM 1017 CD ARG A 79 30.756 -27.741 7.572 1.00 10.04 C ATOM 1018 NE ARG A 79 31.113 -28.867 6.715 1.00 44.23 N ATOM 1019 CZ ARG A 79 32.339 -29.075 6.247 1.00 63.02 C ATOM 1020 NH1 ARG A 79 33.321 -28.237 6.552 1.00 13.45 N ATOM 1021 NH2 ARG A 79 32.586 -30.123 5.471 1.00 55.30 N ATOM 0 H ARG A 79 29.085 -25.243 6.695 1.00 65.21 H new ATOM 0 HA ARG A 79 30.183 -27.228 4.957 1.00 1.24 H new ATOM 0 HB2 ARG A 79 27.534 -27.343 6.427 1.00 11.13 H new ATOM 0 HB3 ARG A 79 28.580 -28.677 5.984 1.00 11.13 H new ATOM 0 HG2 ARG A 79 29.028 -26.605 8.149 1.00 72.12 H new ATOM 0 HG3 ARG A 79 28.841 -28.337 8.338 1.00 72.12 H new ATOM 0 HD2 ARG A 79 31.198 -26.828 7.174 1.00 10.04 H new ATOM 0 HD3 ARG A 79 31.179 -27.893 8.565 1.00 10.04 H new ATOM 0 HE ARG A 79 30.381 -29.531 6.461 1.00 44.23 H new ATOM 0 HH11 ARG A 79 33.136 -27.430 7.148 1.00 13.45 H new ATOM 0 HH12 ARG A 79 34.261 -28.400 6.191 1.00 13.45 H new ATOM 0 HH21 ARG A 79 31.834 -30.770 5.233 1.00 55.30 H new ATOM 0 HH22 ARG A 79 33.528 -30.281 5.112 1.00 55.30 H new ATOM 1032 N ASP A 80 27.161 -26.068 4.232 1.00 34.53 N ATOM 1033 CA ASP A 80 26.204 -25.898 3.146 1.00 4.24 C ATOM 1034 C ASP A 80 26.574 -24.699 2.279 1.00 4.25 C ATOM 1035 O ASP A 80 26.704 -24.817 1.061 1.00 64.24 O ATOM 1036 CB ASP A 80 24.791 -25.722 3.705 1.00 11.24 C ATOM 1037 CG ASP A 80 23.747 -25.598 2.613 1.00 21.43 C ATOM 1038 OD1 ASP A 80 23.247 -26.643 2.150 1.00 50.33 O ATOM 1039 OD2 ASP A 80 23.431 -24.454 2.222 1.00 40.51 O ATOM 0 H ASP A 80 26.847 -25.703 5.131 1.00 34.53 H new ATOM 0 HA ASP A 80 26.232 -26.794 2.527 1.00 4.24 H new ATOM 0 HB2 ASP A 80 24.547 -26.572 4.342 1.00 11.24 H new ATOM 0 HB3 ASP A 80 24.761 -24.833 4.335 1.00 11.24 H new ATOM 1043 N TYR A 81 26.739 -23.544 2.914 1.00 72.41 N ATOM 1044 CA TYR A 81 27.091 -22.322 2.200 1.00 31.14 C ATOM 1045 C TYR A 81 28.104 -22.608 1.096 1.00 55.13 C ATOM 1046 O TYR A 81 27.802 -22.471 -0.089 1.00 41.34 O ATOM 1047 CB TYR A 81 27.658 -21.285 3.171 1.00 33.22 C ATOM 1048 CG TYR A 81 27.488 -19.858 2.700 1.00 12.50 C ATOM 1049 CD1 TYR A 81 26.266 -19.406 2.215 1.00 44.24 C ATOM 1050 CD2 TYR A 81 28.548 -18.961 2.742 1.00 24.34 C ATOM 1051 CE1 TYR A 81 26.107 -18.105 1.782 1.00 33.23 C ATOM 1052 CE2 TYR A 81 28.397 -17.656 2.313 1.00 11.30 C ATOM 1053 CZ TYR A 81 27.174 -17.233 1.834 1.00 63.15 C ATOM 1054 OH TYR A 81 27.019 -15.934 1.405 1.00 54.42 O ATOM 0 H TYR A 81 26.635 -23.428 3.922 1.00 72.41 H new ATOM 0 HA TYR A 81 26.185 -21.925 1.742 1.00 31.14 H new ATOM 0 HB2 TYR A 81 27.169 -21.400 4.138 1.00 33.22 H new ATOM 0 HB3 TYR A 81 28.719 -21.484 3.324 1.00 33.22 H new ATOM 0 HD1 TYR A 81 25.427 -20.084 2.176 1.00 44.24 H new ATOM 0 HD2 TYR A 81 29.506 -19.289 3.116 1.00 24.34 H new ATOM 0 HE1 TYR A 81 25.152 -17.772 1.404 1.00 33.23 H new ATOM 0 HE2 TYR A 81 29.231 -16.971 2.352 1.00 11.30 H new ATOM 0 HH TYR A 81 27.866 -15.452 1.509 1.00 54.42 H new ATOM 1063 N MET A 82 29.307 -23.008 1.495 1.00 24.42 N ATOM 1064 CA MET A 82 30.365 -23.316 0.540 1.00 23.34 C ATOM 1065 C MET A 82 29.871 -24.291 -0.524 1.00 53.31 C ATOM 1066 O MET A 82 29.879 -23.984 -1.714 1.00 24.13 O ATOM 1067 CB MET A 82 31.580 -23.903 1.262 1.00 4.33 C ATOM 1068 CG MET A 82 32.092 -23.030 2.396 1.00 52.44 C ATOM 1069 SD MET A 82 33.368 -21.874 1.860 1.00 24.14 S ATOM 1070 CE MET A 82 34.840 -22.682 2.482 1.00 51.31 C ATOM 0 H MET A 82 29.573 -23.126 2.472 1.00 24.42 H new ATOM 0 HA MET A 82 30.657 -22.388 0.049 1.00 23.34 H new ATOM 0 HB2 MET A 82 31.318 -24.884 1.659 1.00 4.33 H new ATOM 0 HB3 MET A 82 32.383 -24.055 0.541 1.00 4.33 H new ATOM 0 HG2 MET A 82 31.259 -22.473 2.825 1.00 52.44 H new ATOM 0 HG3 MET A 82 32.491 -23.665 3.187 1.00 52.44 H new ATOM 0 HE1 MET A 82 35.717 -22.086 2.229 1.00 51.31 H new ATOM 0 HE2 MET A 82 34.770 -22.782 3.565 1.00 51.31 H new ATOM 0 HE3 MET A 82 34.931 -23.670 2.031 1.00 51.31 H new ATOM 1078 N GLY A 83 29.439 -25.470 -0.084 1.00 61.13 N ATOM 1079 CA GLY A 83 28.948 -26.472 -1.011 1.00 45.32 C ATOM 1080 C GLY A 83 27.904 -25.920 -1.962 1.00 41.23 C ATOM 1081 O GLY A 83 27.699 -26.458 -3.050 1.00 54.05 O ATOM 0 H GLY A 83 29.421 -25.748 0.897 1.00 61.13 H new ATOM 0 HA2 GLY A 83 29.784 -26.871 -1.586 1.00 45.32 H new ATOM 0 HA3 GLY A 83 28.521 -27.303 -0.450 1.00 45.32 H new ATOM 1084 N ALA A 84 27.241 -24.845 -1.551 1.00 73.40 N ATOM 1085 CA ALA A 84 26.213 -24.220 -2.373 1.00 44.21 C ATOM 1086 C ALA A 84 26.809 -23.139 -3.269 1.00 60.20 C ATOM 1087 O ALA A 84 26.306 -22.878 -4.361 1.00 4.43 O ATOM 1088 CB ALA A 84 25.117 -23.635 -1.496 1.00 54.22 C ATOM 0 H ALA A 84 27.398 -24.388 -0.653 1.00 73.40 H new ATOM 0 HA ALA A 84 25.779 -24.988 -3.013 1.00 44.21 H new ATOM 0 HB1 ALA A 84 24.357 -23.172 -2.125 1.00 54.22 H new ATOM 0 HB2 ALA A 84 24.663 -24.429 -0.903 1.00 54.22 H new ATOM 0 HB3 ALA A 84 25.545 -22.885 -0.831 1.00 54.22 H new ATOM 1094 N ALA A 85 27.884 -22.514 -2.800 1.00 54.21 N ATOM 1095 CA ALA A 85 28.548 -21.462 -3.559 1.00 62.45 C ATOM 1096 C ALA A 85 29.703 -22.025 -4.381 1.00 63.54 C ATOM 1097 O ALA A 85 29.594 -22.186 -5.597 1.00 30.20 O ATOM 1098 CB ALA A 85 29.046 -20.370 -2.624 1.00 61.43 C ATOM 0 H ALA A 85 28.314 -22.718 -1.898 1.00 54.21 H new ATOM 0 HA ALA A 85 27.822 -21.031 -4.248 1.00 62.45 H new ATOM 0 HB1 ALA A 85 29.540 -19.591 -3.205 1.00 61.43 H new ATOM 0 HB2 ALA A 85 28.202 -19.940 -2.084 1.00 61.43 H new ATOM 0 HB3 ALA A 85 29.753 -20.795 -1.912 1.00 61.43 H new ATOM 1104 N LYS A 86 30.810 -22.323 -3.710 1.00 61.15 N ATOM 1105 CA LYS A 86 31.987 -22.868 -4.377 1.00 41.52 C ATOM 1106 C LYS A 86 31.590 -23.933 -5.395 1.00 52.42 C ATOM 1107 O LYS A 86 32.224 -24.073 -6.441 1.00 31.23 O ATOM 1108 CB LYS A 86 32.952 -23.463 -3.349 1.00 42.41 C ATOM 1109 CG LYS A 86 32.568 -24.861 -2.894 1.00 22.22 C ATOM 1110 CD LYS A 86 33.220 -25.928 -3.757 1.00 65.44 C ATOM 1111 CE LYS A 86 34.523 -26.421 -3.146 1.00 41.44 C ATOM 1112 NZ LYS A 86 35.379 -27.114 -4.148 1.00 0.33 N ATOM 0 H LYS A 86 30.917 -22.196 -2.704 1.00 61.15 H new ATOM 0 HA LYS A 86 32.485 -22.054 -4.904 1.00 41.52 H new ATOM 0 HB2 LYS A 86 33.954 -23.491 -3.777 1.00 42.41 H new ATOM 0 HB3 LYS A 86 32.995 -22.806 -2.480 1.00 42.41 H new ATOM 0 HG2 LYS A 86 32.865 -25.001 -1.855 1.00 22.22 H new ATOM 0 HG3 LYS A 86 31.484 -24.972 -2.933 1.00 22.22 H new ATOM 0 HD2 LYS A 86 32.535 -26.767 -3.880 1.00 65.44 H new ATOM 0 HD3 LYS A 86 33.413 -25.525 -4.751 1.00 65.44 H new ATOM 0 HE2 LYS A 86 35.069 -25.577 -2.724 1.00 41.44 H new ATOM 0 HE3 LYS A 86 34.304 -27.102 -2.323 1.00 41.44 H new ATOM 0 HZ1 LYS A 86 36.257 -27.435 -3.692 1.00 0.33 H new ATOM 0 HZ2 LYS A 86 34.869 -27.935 -4.532 1.00 0.33 H new ATOM 0 HZ3 LYS A 86 35.610 -26.457 -4.921 1.00 0.33 H new ATOM 1122 N SER A 87 30.537 -24.681 -5.081 1.00 64.15 N ATOM 1123 CA SER A 87 30.058 -25.736 -5.967 1.00 43.40 C ATOM 1124 C SER A 87 29.177 -25.159 -7.071 1.00 13.44 C ATOM 1125 O SER A 87 29.559 -25.139 -8.241 1.00 14.41 O ATOM 1126 CB SER A 87 29.278 -26.784 -5.172 1.00 2.51 C ATOM 1127 OG SER A 87 29.519 -28.088 -5.672 1.00 0.11 O ATOM 0 H SER A 87 30.000 -24.576 -4.220 1.00 64.15 H new ATOM 0 HA SER A 87 30.924 -26.211 -6.428 1.00 43.40 H new ATOM 0 HB2 SER A 87 29.565 -26.735 -4.121 1.00 2.51 H new ATOM 0 HB3 SER A 87 28.212 -26.563 -5.222 1.00 2.51 H new ATOM 0 HG SER A 87 29.010 -28.739 -5.146 1.00 0.11 H new ATOM 1132 N LYS A 88 27.993 -24.689 -6.689 1.00 40.42 N ATOM 1133 CA LYS A 88 27.055 -24.110 -7.645 1.00 74.44 C ATOM 1134 C LYS A 88 27.648 -22.869 -8.305 1.00 15.12 C ATOM 1135 O LYS A 88 27.770 -22.802 -9.528 1.00 2.10 O ATOM 1136 CB LYS A 88 25.741 -23.752 -6.946 1.00 22.44 C ATOM 1137 CG LYS A 88 24.508 -24.046 -7.783 1.00 71.24 C ATOM 1138 CD LYS A 88 23.468 -22.946 -7.650 1.00 71.33 C ATOM 1139 CE LYS A 88 22.465 -23.259 -6.550 1.00 1.25 C ATOM 1140 NZ LYS A 88 21.303 -22.327 -6.579 1.00 75.31 N ATOM 0 H LYS A 88 27.661 -24.698 -5.725 1.00 40.42 H new ATOM 0 HA LYS A 88 26.858 -24.851 -8.419 1.00 74.44 H new ATOM 0 HB2 LYS A 88 25.675 -24.306 -6.009 1.00 22.44 H new ATOM 0 HB3 LYS A 88 25.752 -22.693 -6.690 1.00 22.44 H new ATOM 0 HG2 LYS A 88 24.794 -24.152 -8.829 1.00 71.24 H new ATOM 0 HG3 LYS A 88 24.075 -24.997 -7.473 1.00 71.24 H new ATOM 0 HD2 LYS A 88 23.963 -21.999 -7.434 1.00 71.33 H new ATOM 0 HD3 LYS A 88 22.944 -22.822 -8.598 1.00 71.33 H new ATOM 0 HE2 LYS A 88 22.112 -24.284 -6.661 1.00 1.25 H new ATOM 0 HE3 LYS A 88 22.958 -23.195 -5.580 1.00 1.25 H new ATOM 0 HZ1 LYS A 88 20.642 -22.572 -5.815 1.00 75.31 H new ATOM 0 HZ2 LYS A 88 21.637 -21.351 -6.447 1.00 75.31 H new ATOM 0 HZ3 LYS A 88 20.817 -22.406 -7.495 1.00 75.31 H new ATOM 1150 N LEU A 89 28.016 -21.889 -7.487 1.00 33.05 N ATOM 1151 CA LEU A 89 28.597 -20.649 -7.992 1.00 74.13 C ATOM 1152 C LEU A 89 29.696 -20.939 -9.009 1.00 72.12 C ATOM 1153 O LEU A 89 29.662 -20.439 -10.133 1.00 72.23 O ATOM 1154 CB LEU A 89 29.162 -19.820 -6.836 1.00 41.24 C ATOM 1155 CG LEU A 89 29.520 -18.370 -7.163 1.00 71.04 C ATOM 1156 CD1 LEU A 89 29.138 -17.454 -6.011 1.00 11.10 C ATOM 1157 CD2 LEU A 89 31.004 -18.245 -7.478 1.00 12.01 C ATOM 0 H LEU A 89 27.923 -21.928 -6.472 1.00 33.05 H new ATOM 0 HA LEU A 89 27.809 -20.081 -8.487 1.00 74.13 H new ATOM 0 HB2 LEU A 89 28.433 -19.819 -6.025 1.00 41.24 H new ATOM 0 HB3 LEU A 89 30.056 -20.318 -6.461 1.00 41.24 H new ATOM 0 HG LEU A 89 28.956 -18.066 -8.044 1.00 71.04 H new ATOM 0 HD11 LEU A 89 29.400 -16.426 -6.261 1.00 11.10 H new ATOM 0 HD12 LEU A 89 28.065 -17.522 -5.833 1.00 11.10 H new ATOM 0 HD13 LEU A 89 29.675 -17.757 -5.112 1.00 11.10 H new ATOM 0 HD21 LEU A 89 31.241 -17.206 -7.708 1.00 12.01 H new ATOM 0 HD22 LEU A 89 31.587 -18.568 -6.616 1.00 12.01 H new ATOM 0 HD23 LEU A 89 31.248 -18.872 -8.336 1.00 12.01 H new ATOM 1168 N ASN A 90 30.670 -21.750 -8.607 1.00 4.32 N ATOM 1169 CA ASN A 90 31.778 -22.108 -9.485 1.00 33.20 C ATOM 1170 C ASN A 90 31.302 -23.002 -10.626 1.00 34.02 C ATOM 1171 O ASN A 90 31.588 -22.741 -11.793 1.00 64.30 O ATOM 1172 CB ASN A 90 32.877 -22.816 -8.691 1.00 15.32 C ATOM 1173 CG ASN A 90 34.255 -22.584 -9.277 1.00 72.25 C ATOM 1174 OD1 ASN A 90 34.757 -23.397 -10.053 1.00 60.05 O ATOM 1175 ND2 ASN A 90 34.876 -21.470 -8.906 1.00 1.14 N ATOM 0 H ASN A 90 30.714 -22.171 -7.679 1.00 4.32 H new ATOM 0 HA ASN A 90 32.182 -21.190 -9.912 1.00 33.20 H new ATOM 0 HB2 ASN A 90 32.860 -22.464 -7.659 1.00 15.32 H new ATOM 0 HB3 ASN A 90 32.671 -23.886 -8.666 1.00 15.32 H new ATOM 0 HD21 ASN A 90 35.807 -21.261 -9.267 1.00 1.14 H new ATOM 0 HD22 ASN A 90 34.422 -20.824 -8.260 1.00 1.14 H new ATOM 1181 N ASP A 91 30.575 -24.058 -10.278 1.00 11.45 N ATOM 1182 CA ASP A 91 30.057 -24.991 -11.271 1.00 4.41 C ATOM 1183 C ASP A 91 28.996 -24.324 -12.142 1.00 2.22 C ATOM 1184 O ASP A 91 28.617 -24.850 -13.188 1.00 44.35 O ATOM 1185 CB ASP A 91 29.469 -26.226 -10.587 1.00 60.53 C ATOM 1186 CG ASP A 91 29.205 -27.357 -11.561 1.00 74.31 C ATOM 1187 OD1 ASP A 91 30.152 -27.771 -12.261 1.00 34.31 O ATOM 1188 OD2 ASP A 91 28.050 -27.828 -11.623 1.00 42.23 O ATOM 0 H ASP A 91 30.331 -24.289 -9.315 1.00 11.45 H new ATOM 0 HA ASP A 91 30.885 -25.299 -11.909 1.00 4.41 H new ATOM 0 HB2 ASP A 91 30.155 -26.570 -9.813 1.00 60.53 H new ATOM 0 HB3 ASP A 91 28.538 -25.954 -10.090 1.00 60.53 H new ATOM 1192 N ALA A 92 28.520 -23.163 -11.703 1.00 55.13 N ATOM 1193 CA ALA A 92 27.505 -22.425 -12.441 1.00 0.44 C ATOM 1194 C ALA A 92 28.103 -21.198 -13.120 1.00 72.21 C ATOM 1195 O ALA A 92 27.580 -20.714 -14.125 1.00 73.55 O ATOM 1196 CB ALA A 92 26.369 -22.017 -11.514 1.00 23.12 C ATOM 0 H ALA A 92 28.822 -22.714 -10.839 1.00 55.13 H new ATOM 0 HA ALA A 92 27.108 -23.080 -13.217 1.00 0.44 H new ATOM 0 HB1 ALA A 92 25.618 -21.466 -12.080 1.00 23.12 H new ATOM 0 HB2 ALA A 92 25.915 -22.908 -11.080 1.00 23.12 H new ATOM 0 HB3 ALA A 92 26.759 -21.384 -10.717 1.00 23.12 H new ATOM 1202 N VAL A 93 29.202 -20.697 -12.565 1.00 35.12 N ATOM 1203 CA VAL A 93 29.872 -19.526 -13.117 1.00 33.40 C ATOM 1204 C VAL A 93 31.165 -19.914 -13.826 1.00 55.33 C ATOM 1205 O VAL A 93 31.522 -19.333 -14.849 1.00 33.31 O ATOM 1206 CB VAL A 93 30.192 -18.492 -12.020 1.00 53.55 C ATOM 1207 CG1 VAL A 93 31.552 -18.776 -11.400 1.00 3.24 C ATOM 1208 CG2 VAL A 93 30.137 -17.081 -12.585 1.00 64.14 C ATOM 0 H VAL A 93 29.647 -21.084 -11.733 1.00 35.12 H new ATOM 0 HA VAL A 93 29.186 -19.081 -13.837 1.00 33.40 H new ATOM 0 HB VAL A 93 29.438 -18.573 -11.237 1.00 53.55 H new ATOM 0 HG11 VAL A 93 31.761 -18.036 -10.628 1.00 3.24 H new ATOM 0 HG12 VAL A 93 31.549 -19.772 -10.957 1.00 3.24 H new ATOM 0 HG13 VAL A 93 32.321 -18.724 -12.171 1.00 3.24 H new ATOM 0 HG21 VAL A 93 30.366 -16.364 -11.796 1.00 64.14 H new ATOM 0 HG22 VAL A 93 30.867 -16.982 -13.388 1.00 64.14 H new ATOM 0 HG23 VAL A 93 29.139 -16.884 -12.976 1.00 64.14 H new ATOM 1218 N GLU A 94 31.861 -20.904 -13.274 1.00 53.01 N ATOM 1219 CA GLU A 94 33.115 -21.370 -13.853 1.00 53.24 C ATOM 1220 C GLU A 94 32.869 -22.515 -14.832 1.00 43.41 C ATOM 1221 O GLU A 94 33.567 -22.647 -15.838 1.00 35.22 O ATOM 1222 CB GLU A 94 34.073 -21.825 -12.751 1.00 61.21 C ATOM 1223 CG GLU A 94 35.533 -21.523 -13.051 1.00 2.13 C ATOM 1224 CD GLU A 94 36.227 -20.813 -11.905 1.00 62.53 C ATOM 1225 OE1 GLU A 94 35.954 -19.612 -11.699 1.00 41.20 O ATOM 1226 OE2 GLU A 94 37.046 -21.457 -11.217 1.00 52.51 O ATOM 0 H GLU A 94 31.577 -21.398 -12.428 1.00 53.01 H new ATOM 0 HA GLU A 94 33.566 -20.540 -14.396 1.00 53.24 H new ATOM 0 HB2 GLU A 94 33.795 -21.339 -11.816 1.00 61.21 H new ATOM 0 HB3 GLU A 94 33.956 -22.898 -12.600 1.00 61.21 H new ATOM 0 HG2 GLU A 94 36.056 -22.454 -13.267 1.00 2.13 H new ATOM 0 HG3 GLU A 94 35.596 -20.906 -13.948 1.00 2.13 H new ATOM 1231 N TYR A 95 31.871 -23.339 -14.531 1.00 60.20 N ATOM 1232 CA TYR A 95 31.534 -24.474 -15.382 1.00 63.40 C ATOM 1233 C TYR A 95 30.473 -24.089 -16.408 1.00 40.10 C ATOM 1234 O TYR A 95 30.532 -24.506 -17.566 1.00 20.23 O ATOM 1235 CB TYR A 95 31.037 -25.645 -14.533 1.00 61.30 C ATOM 1236 CG TYR A 95 30.351 -26.727 -15.335 1.00 62.35 C ATOM 1237 CD1 TYR A 95 28.990 -26.662 -15.603 1.00 4.52 C ATOM 1238 CD2 TYR A 95 31.064 -27.814 -15.826 1.00 74.11 C ATOM 1239 CE1 TYR A 95 28.358 -27.649 -16.336 1.00 41.12 C ATOM 1240 CE2 TYR A 95 30.441 -28.805 -16.560 1.00 21.43 C ATOM 1241 CZ TYR A 95 29.088 -28.717 -16.813 1.00 72.01 C ATOM 1242 OH TYR A 95 28.463 -29.703 -17.544 1.00 35.43 O ATOM 0 H TYR A 95 31.282 -23.242 -13.704 1.00 60.20 H new ATOM 0 HA TYR A 95 32.436 -24.777 -15.914 1.00 63.40 H new ATOM 0 HB2 TYR A 95 31.882 -26.080 -14.000 1.00 61.30 H new ATOM 0 HB3 TYR A 95 30.345 -25.269 -13.780 1.00 61.30 H new ATOM 0 HD1 TYR A 95 28.415 -25.826 -15.232 1.00 4.52 H new ATOM 0 HD2 TYR A 95 32.124 -27.885 -15.630 1.00 74.11 H new ATOM 0 HE1 TYR A 95 27.298 -27.584 -16.534 1.00 41.12 H new ATOM 0 HE2 TYR A 95 31.010 -29.644 -16.933 1.00 21.43 H new ATOM 0 HH TYR A 95 29.119 -30.382 -17.806 1.00 35.43 H new ATOM 1251 N VAL A 96 29.503 -23.291 -15.975 1.00 45.02 N ATOM 1252 CA VAL A 96 28.429 -22.847 -16.856 1.00 14.23 C ATOM 1253 C VAL A 96 28.789 -21.535 -17.544 1.00 13.20 C ATOM 1254 O VAL A 96 28.839 -21.460 -18.772 1.00 13.43 O ATOM 1255 CB VAL A 96 27.109 -22.663 -16.082 1.00 61.50 C ATOM 1256 CG1 VAL A 96 26.329 -21.479 -16.632 1.00 31.35 C ATOM 1257 CG2 VAL A 96 26.276 -23.934 -16.141 1.00 54.22 C ATOM 0 H VAL A 96 29.438 -22.939 -15.020 1.00 45.02 H new ATOM 0 HA VAL A 96 28.296 -23.624 -17.609 1.00 14.23 H new ATOM 0 HB VAL A 96 27.345 -22.459 -15.038 1.00 61.50 H new ATOM 0 HG11 VAL A 96 25.400 -21.364 -16.074 1.00 31.35 H new ATOM 0 HG12 VAL A 96 26.926 -20.572 -16.533 1.00 31.35 H new ATOM 0 HG13 VAL A 96 26.101 -21.651 -17.684 1.00 31.35 H new ATOM 0 HG21 VAL A 96 25.348 -23.786 -15.589 1.00 54.22 H new ATOM 0 HG22 VAL A 96 26.047 -24.171 -17.180 1.00 54.22 H new ATOM 0 HG23 VAL A 96 26.836 -24.757 -15.696 1.00 54.22 H new ATOM 1267 N SER A 97 29.040 -20.503 -16.745 1.00 4.50 N ATOM 1268 CA SER A 97 29.392 -19.192 -17.277 1.00 41.31 C ATOM 1269 C SER A 97 30.828 -19.183 -17.791 1.00 24.22 C ATOM 1270 O SER A 97 31.220 -18.303 -18.556 1.00 71.42 O ATOM 1271 CB SER A 97 29.215 -18.118 -16.203 1.00 24.43 C ATOM 1272 OG SER A 97 28.741 -16.907 -16.766 1.00 35.21 O ATOM 0 H SER A 97 29.006 -20.550 -15.727 1.00 4.50 H new ATOM 0 HA SER A 97 28.725 -18.974 -18.111 1.00 41.31 H new ATOM 0 HB2 SER A 97 28.515 -18.469 -15.445 1.00 24.43 H new ATOM 0 HB3 SER A 97 30.166 -17.941 -15.701 1.00 24.43 H new ATOM 0 HG SER A 97 28.635 -16.237 -16.059 1.00 35.21 H new ATOM 1277 N GLY A 98 31.609 -20.170 -17.364 1.00 75.34 N ATOM 1278 CA GLY A 98 32.995 -20.258 -17.789 1.00 5.21 C ATOM 1279 C GLY A 98 33.155 -21.032 -19.083 1.00 21.11 C ATOM 1280 O GLY A 98 34.170 -20.904 -19.768 1.00 64.13 O ATOM 0 H GLY A 98 31.307 -20.911 -16.731 1.00 75.34 H new ATOM 0 HA2 GLY A 98 33.397 -19.253 -17.918 1.00 5.21 H new ATOM 0 HA3 GLY A 98 33.582 -20.738 -17.006 1.00 5.21 H new ATOM 1283 N ARG A 99 32.152 -21.837 -19.418 1.00 20.23 N ATOM 1284 CA ARG A 99 32.188 -22.636 -20.637 1.00 74.52 C ATOM 1285 C ARG A 99 31.639 -21.846 -21.821 1.00 45.22 C ATOM 1286 O ARG A 99 32.314 -21.680 -22.838 1.00 54.24 O ATOM 1287 CB ARG A 99 31.384 -23.924 -20.452 1.00 13.33 C ATOM 1288 CG ARG A 99 32.228 -25.112 -20.020 1.00 11.34 C ATOM 1289 CD ARG A 99 32.336 -26.149 -21.126 1.00 51.23 C ATOM 1290 NE ARG A 99 31.025 -26.606 -21.579 1.00 3.24 N ATOM 1291 CZ ARG A 99 30.814 -27.187 -22.756 1.00 33.13 C ATOM 1292 NH1 ARG A 99 31.824 -27.382 -23.592 1.00 73.43 N ATOM 1293 NH2 ARG A 99 29.592 -27.574 -23.096 1.00 1.14 N ATOM 0 H ARG A 99 31.305 -21.953 -18.862 1.00 20.23 H new ATOM 0 HA ARG A 99 33.227 -22.892 -20.844 1.00 74.52 H new ATOM 0 HB2 ARG A 99 30.605 -23.753 -19.709 1.00 13.33 H new ATOM 0 HB3 ARG A 99 30.882 -24.167 -21.389 1.00 13.33 H new ATOM 0 HG2 ARG A 99 33.225 -24.770 -19.742 1.00 11.34 H new ATOM 0 HG3 ARG A 99 31.789 -25.569 -19.133 1.00 11.34 H new ATOM 0 HD2 ARG A 99 32.883 -25.725 -21.968 1.00 51.23 H new ATOM 0 HD3 ARG A 99 32.913 -27.002 -20.768 1.00 51.23 H new ATOM 0 HE ARG A 99 30.227 -26.472 -20.958 1.00 3.24 H new ATOM 0 HH11 ARG A 99 32.765 -27.086 -23.333 1.00 73.43 H new ATOM 0 HH12 ARG A 99 31.660 -27.828 -24.495 1.00 73.43 H new ATOM 0 HH21 ARG A 99 28.813 -27.426 -22.454 1.00 1.14 H new ATOM 0 HH22 ARG A 99 29.431 -28.020 -23.999 1.00 1.14 H new ATOM 1304 N VAL A 100 30.409 -21.360 -21.683 1.00 52.11 N ATOM 1305 CA VAL A 100 29.769 -20.588 -22.740 1.00 1.33 C ATOM 1306 C VAL A 100 30.580 -19.343 -23.079 1.00 22.55 C ATOM 1307 O VAL A 100 30.533 -18.843 -24.204 1.00 44.31 O ATOM 1308 CB VAL A 100 28.343 -20.165 -22.342 1.00 53.54 C ATOM 1309 CG1 VAL A 100 27.654 -19.452 -23.497 1.00 73.53 C ATOM 1310 CG2 VAL A 100 27.535 -21.374 -21.894 1.00 62.44 C ATOM 0 H VAL A 100 29.836 -21.488 -20.849 1.00 52.11 H new ATOM 0 HA VAL A 100 29.717 -21.234 -23.616 1.00 1.33 H new ATOM 0 HB VAL A 100 28.410 -19.470 -21.505 1.00 53.54 H new ATOM 0 HG11 VAL A 100 26.648 -19.161 -23.196 1.00 73.53 H new ATOM 0 HG12 VAL A 100 28.223 -18.563 -23.767 1.00 73.53 H new ATOM 0 HG13 VAL A 100 27.597 -20.121 -24.356 1.00 73.53 H new ATOM 0 HG21 VAL A 100 26.530 -21.057 -21.616 1.00 62.44 H new ATOM 0 HG22 VAL A 100 27.476 -22.095 -22.710 1.00 62.44 H new ATOM 0 HG23 VAL A 100 28.020 -21.837 -21.035 1.00 62.44 H new ATOM 1320 N HIS A 101 31.326 -18.844 -22.098 1.00 24.44 N ATOM 1321 CA HIS A 101 32.149 -17.656 -22.292 1.00 23.34 C ATOM 1322 C HIS A 101 33.153 -17.868 -23.422 1.00 11.14 C ATOM 1323 O HIS A 101 33.500 -16.933 -24.142 1.00 2.03 O ATOM 1324 CB HIS A 101 32.886 -17.303 -20.999 1.00 61.23 C ATOM 1325 CG HIS A 101 32.306 -16.125 -20.281 1.00 51.31 C ATOM 1326 ND1 HIS A 101 30.950 -15.928 -20.130 1.00 53.34 N ATOM 1327 CD2 HIS A 101 32.907 -15.078 -19.668 1.00 11.32 C ATOM 1328 CE1 HIS A 101 30.741 -14.812 -19.456 1.00 20.20 C ATOM 1329 NE2 HIS A 101 31.912 -14.276 -19.164 1.00 52.33 N ATOM 0 H HIS A 101 31.377 -19.244 -21.161 1.00 24.44 H new ATOM 0 HA HIS A 101 31.492 -16.830 -22.564 1.00 23.34 H new ATOM 0 HB2 HIS A 101 32.870 -18.167 -20.334 1.00 61.23 H new ATOM 0 HB3 HIS A 101 33.931 -17.098 -21.231 1.00 61.23 H new ATOM 0 HD2 HIS A 101 33.970 -14.906 -19.590 1.00 11.32 H new ATOM 0 HE1 HIS A 101 29.776 -14.406 -19.189 1.00 20.20 H new ATOM 0 HE2 HIS A 101 32.055 -13.408 -18.648 1.00 52.33 H new