USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 990 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 Set 1.1: B 59 CYS SG : rot -23:sc= 0.0967 USER MOD Set 1.2: B 78 CYS SG : rot 167:sc= 0.314 USER MOD Set 2.1: A 57 LYS NZ :NH3+ -112:sc= 2.6 (180deg=0.313!) USER MOD Set 2.2: B 40 THR OG1 : rot 180:sc= 0.81 USER MOD Set 3.1: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 84 LYS NZ :NH3+ 157:sc= 1.06 (180deg=0.688) USER MOD Set 4.1: A 59 CYS SG : rot -4:sc= 1.38 USER MOD Set 4.2: A 78 CYS SG : rot 118:sc= 1.36 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.3!) USER MOD Single : A 22 MET CE :methyl -135:sc= -0.0706 (180deg=-2.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.384 USER MOD Single : A 25 THR OG1 : rot -20:sc= 0.476 USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= -2.68! (180deg=-3.05!) USER MOD Single : A 35 THR OG1 : rot 73:sc= 1.28 USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= 1.13 (180deg=0.863) USER MOD Single : A 40 THR OG1 : rot 84:sc= 0.759 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.303 K(o=-0.3,f=-6.4!) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 56 CYS SG : rot -63:sc= 1.02 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.696 K(o=0.7,f=-5!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.379 F(o=-0.93,f=-0.38) USER MOD Single : A 88 SER OG : rot 73:sc= 1.24 USER MOD Single : A 89 SER OG : rot 1:sc= 1.04 USER MOD Single : B 18 TYR OH : rot 180:sc= 0.073 USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 MET CE :methyl -112:sc= -0.536 (180deg=-3.89!) USER MOD Single : B 23 THR OG1 : rot -51:sc= 0.415 USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : B 32 LYS NZ :NH3+ 176:sc= 2.45 (180deg=2.26) USER MOD Single : B 35 THR OG1 : rot 91:sc= 1.24 USER MOD Single : B 39 LYS NZ :NH3+ 171:sc=-0.00104 (180deg=-0.13) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 54 ASN : amide:sc= -0.515 K(o=-0.52,f=-2.5) USER MOD Single : B 55 GLN : amide:sc= -0.14 K(o=-0.14,f=-6.8!) USER MOD Single : B 56 CYS SG : rot 180:sc= 0 USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 180:sc= -0.668 USER MOD Single : B 67 GLN :FLIP amide:sc= -0.137 F(o=-1.1,f=-0.14) USER MOD Single : B 68 THR OG1 : rot 78:sc= 0.135 USER MOD Single : B 74 HIS : no HE2:sc= 0.64 K(o=0.64,f=-2.1!) USER MOD Single : B 84 LYS NZ :NH3+ 164:sc= -0.0179 (180deg=-0.257) USER MOD Single : B 85 GLN : amide:sc=-0.00463 X(o=-0.0046,f=-0.3) USER MOD Single : B 88 SER OG : rot -40:sc= 0.664 USER MOD Single : B 89 SER OG : rot -95:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 -1.482 -9.404 15.190 1.00 0.00 N ATOM 240 CA LEU A 17 -1.500 -7.942 15.172 1.00 0.00 C ATOM 241 C LEU A 17 -0.495 -7.347 16.162 1.00 0.00 C ATOM 242 O LEU A 17 -0.757 -7.258 17.360 1.00 0.00 O ATOM 243 CB LEU A 17 -2.903 -7.422 15.505 1.00 0.00 C ATOM 244 CG LEU A 17 -4.015 -7.870 14.554 1.00 0.00 C ATOM 245 CD1 LEU A 17 -5.374 -7.442 15.088 1.00 0.00 C ATOM 246 CD2 LEU A 17 -3.788 -7.298 13.162 1.00 0.00 C ATOM 0 HA LEU A 17 -1.217 -7.630 14.167 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.161 -7.744 16.514 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.875 -6.332 15.515 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.995 -8.958 14.488 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.154 -7.768 14.400 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.540 -7.894 16.066 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.403 -6.356 15.181 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.588 -7.627 12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.783 -6.209 13.212 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.830 -7.648 12.777 1.00 0.00 H new ATOM 258 N TYR A 18 0.661 -6.959 15.643 1.00 0.00 N ATOM 259 CA TYR A 18 1.694 -6.319 16.432 1.00 0.00 C ATOM 260 C TYR A 18 1.641 -4.819 16.224 1.00 0.00 C ATOM 261 O TYR A 18 2.611 -4.096 16.437 1.00 0.00 O ATOM 262 CB TYR A 18 3.056 -6.871 16.037 1.00 0.00 C ATOM 263 CG TYR A 18 3.360 -6.815 14.551 1.00 0.00 C ATOM 264 CD1 TYR A 18 3.007 -7.866 13.712 1.00 0.00 C ATOM 265 CD2 TYR A 18 4.004 -5.719 13.991 1.00 0.00 C ATOM 266 CE1 TYR A 18 3.284 -7.825 12.361 1.00 0.00 C ATOM 267 CE2 TYR A 18 4.284 -5.671 12.640 1.00 0.00 C ATOM 268 CZ TYR A 18 3.924 -6.725 11.830 1.00 0.00 C ATOM 269 OH TYR A 18 4.201 -6.679 10.485 1.00 0.00 O ATOM 0 H TYR A 18 0.906 -7.081 14.660 1.00 0.00 H new ATOM 0 HA TYR A 18 1.529 -6.527 17.489 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.826 -6.316 16.572 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.122 -7.907 16.368 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.507 -8.730 14.125 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.290 -4.891 14.623 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.001 -8.649 11.723 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.783 -4.810 12.220 1.00 0.00 H new ATOM 0 HH TYR A 18 4.653 -5.836 10.273 1.00 0.00 H new ATOM 279 N PHE A 19 0.470 -4.375 15.829 1.00 0.00 N ATOM 280 CA PHE A 19 0.213 -2.974 15.516 1.00 0.00 C ATOM 281 C PHE A 19 -0.010 -2.145 16.784 1.00 0.00 C ATOM 282 O PHE A 19 -0.572 -1.048 16.730 1.00 0.00 O ATOM 283 CB PHE A 19 -1.005 -2.863 14.594 1.00 0.00 C ATOM 284 CG PHE A 19 -0.816 -3.523 13.254 1.00 0.00 C ATOM 285 CD1 PHE A 19 -1.027 -4.883 13.098 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.422 -2.782 12.151 1.00 0.00 C ATOM 287 CE1 PHE A 19 -0.858 -5.489 11.868 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.250 -3.383 10.918 1.00 0.00 C ATOM 289 CZ PHE A 19 -0.463 -4.740 10.778 1.00 0.00 C ATOM 0 H PHE A 19 -0.345 -4.977 15.712 1.00 0.00 H new ATOM 0 HA PHE A 19 1.092 -2.575 15.009 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.866 -3.310 15.090 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.237 -1.809 14.440 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.327 -5.477 13.948 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.247 -1.721 12.256 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.035 -6.549 11.759 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.051 -2.792 10.066 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.321 -5.214 9.818 1.00 0.00 H new ATOM 299 N GLN A 20 0.437 -2.671 17.918 1.00 0.00 N ATOM 300 CA GLN A 20 0.358 -1.953 19.183 1.00 0.00 C ATOM 301 C GLN A 20 1.365 -0.807 19.184 1.00 0.00 C ATOM 302 O GLN A 20 1.044 0.323 19.551 1.00 0.00 O ATOM 303 CB GLN A 20 0.647 -2.900 20.349 1.00 0.00 C ATOM 304 CG GLN A 20 0.486 -2.255 21.716 1.00 0.00 C ATOM 305 CD GLN A 20 1.118 -3.079 22.819 1.00 0.00 C ATOM 306 OE1 GLN A 20 2.101 -3.781 22.593 1.00 0.00 O ATOM 307 NE2 GLN A 20 0.563 -3.001 24.017 1.00 0.00 N ATOM 0 H GLN A 20 0.860 -3.597 17.987 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.648 -1.551 19.301 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.021 -3.759 20.282 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.665 -3.279 20.254 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.937 -1.263 21.703 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.574 -2.120 21.929 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.253 -2.406 24.163 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.951 -3.536 24.794 1.00 0.00 H new ATOM 316 N GLY A 21 2.583 -1.119 18.771 1.00 0.00 N ATOM 317 CA GLY A 21 3.615 -0.115 18.642 1.00 0.00 C ATOM 318 C GLY A 21 4.546 -0.444 17.496 1.00 0.00 C ATOM 319 O GLY A 21 4.823 -1.618 17.238 1.00 0.00 O ATOM 0 H GLY A 21 2.877 -2.063 18.520 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.160 0.862 18.477 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.183 -0.050 19.570 1.00 0.00 H new ATOM 323 N MET A 22 5.027 0.574 16.799 1.00 0.00 N ATOM 324 CA MET A 22 5.883 0.360 15.641 1.00 0.00 C ATOM 325 C MET A 22 7.259 0.965 15.866 1.00 0.00 C ATOM 326 O MET A 22 7.528 1.538 16.922 1.00 0.00 O ATOM 327 CB MET A 22 5.246 0.940 14.377 1.00 0.00 C ATOM 328 CG MET A 22 4.048 0.146 13.885 1.00 0.00 C ATOM 329 SD MET A 22 4.467 -1.569 13.519 1.00 0.00 S ATOM 330 CE MET A 22 2.896 -2.182 12.926 1.00 0.00 C ATOM 0 H MET A 22 4.840 1.554 17.014 1.00 0.00 H new ATOM 0 HA MET A 22 5.998 -0.715 15.505 1.00 0.00 H new ATOM 0 HB2 MET A 22 4.936 1.966 14.574 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.996 0.979 13.587 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.262 0.172 14.640 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.645 0.618 12.989 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.689 -3.152 13.379 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.107 -1.480 13.195 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.933 -2.289 11.842 1.00 0.00 H new ATOM 340 N THR A 23 8.124 0.840 14.867 1.00 0.00 N ATOM 341 CA THR A 23 9.499 1.291 14.991 1.00 0.00 C ATOM 342 C THR A 23 10.122 1.546 13.609 1.00 0.00 C ATOM 343 O THR A 23 9.413 1.578 12.598 1.00 0.00 O ATOM 344 CB THR A 23 10.340 0.252 15.781 1.00 0.00 C ATOM 345 OG1 THR A 23 11.640 0.777 16.084 1.00 0.00 O ATOM 346 CG2 THR A 23 10.485 -1.052 15.003 1.00 0.00 C ATOM 0 H THR A 23 7.894 0.429 13.962 1.00 0.00 H new ATOM 0 HA THR A 23 9.499 2.232 15.541 1.00 0.00 H new ATOM 0 HB THR A 23 9.811 0.044 16.711 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.154 0.109 16.583 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.079 -1.758 15.584 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.498 -1.476 14.816 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.982 -0.855 14.053 1.00 0.00 H new ATOM 354 N ASP A 24 11.443 1.715 13.596 1.00 0.00 N ATOM 355 CA ASP A 24 12.223 2.032 12.392 1.00 0.00 C ATOM 356 C ASP A 24 11.825 1.194 11.177 1.00 0.00 C ATOM 357 O ASP A 24 11.340 1.721 10.175 1.00 0.00 O ATOM 358 CB ASP A 24 13.714 1.819 12.690 1.00 0.00 C ATOM 359 CG ASP A 24 14.559 1.712 11.435 1.00 0.00 C ATOM 360 OD1 ASP A 24 14.967 2.762 10.900 1.00 0.00 O ATOM 361 OD2 ASP A 24 14.814 0.576 10.978 1.00 0.00 O ATOM 0 H ASP A 24 12.016 1.635 14.436 1.00 0.00 H new ATOM 0 HA ASP A 24 12.016 3.072 12.140 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.079 2.647 13.298 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.835 0.911 13.281 1.00 0.00 H new ATOM 366 N THR A 25 12.023 -0.111 11.279 1.00 0.00 N ATOM 367 CA THR A 25 11.861 -1.006 10.146 1.00 0.00 C ATOM 368 C THR A 25 10.392 -1.156 9.749 1.00 0.00 C ATOM 369 O THR A 25 10.074 -1.462 8.599 1.00 0.00 O ATOM 370 CB THR A 25 12.475 -2.377 10.478 1.00 0.00 C ATOM 371 OG1 THR A 25 13.756 -2.175 11.100 1.00 0.00 O ATOM 372 CG2 THR A 25 12.647 -3.224 9.226 1.00 0.00 C ATOM 0 H THR A 25 12.299 -0.576 12.144 1.00 0.00 H new ATOM 0 HA THR A 25 12.383 -0.573 9.293 1.00 0.00 H new ATOM 0 HB THR A 25 11.802 -2.906 11.153 1.00 0.00 H new ATOM 0 HG1 THR A 25 14.087 -1.278 10.884 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.083 -4.186 9.495 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.675 -3.384 8.758 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.306 -2.710 8.526 1.00 0.00 H new ATOM 380 N ALA A 26 9.501 -0.893 10.695 1.00 0.00 N ATOM 381 CA ALA A 26 8.070 -0.988 10.443 1.00 0.00 C ATOM 382 C ALA A 26 7.634 0.045 9.412 1.00 0.00 C ATOM 383 O ALA A 26 6.857 -0.252 8.508 1.00 0.00 O ATOM 384 CB ALA A 26 7.292 -0.799 11.735 1.00 0.00 C ATOM 0 H ALA A 26 9.744 -0.612 11.645 1.00 0.00 H new ATOM 0 HA ALA A 26 7.859 -1.981 10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.224 -0.873 11.531 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.579 -1.571 12.449 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.514 0.183 12.153 1.00 0.00 H new ATOM 390 N ALA A 27 8.161 1.254 9.546 1.00 0.00 N ATOM 391 CA ALA A 27 7.816 2.347 8.646 1.00 0.00 C ATOM 392 C ALA A 27 8.344 2.084 7.243 1.00 0.00 C ATOM 393 O ALA A 27 7.766 2.538 6.256 1.00 0.00 O ATOM 394 CB ALA A 27 8.359 3.665 9.176 1.00 0.00 C ATOM 0 H ALA A 27 8.832 1.504 10.272 1.00 0.00 H new ATOM 0 HA ALA A 27 6.729 2.412 8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.092 4.470 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.931 3.867 10.158 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.444 3.604 9.259 1.00 0.00 H new ATOM 400 N GLU A 28 9.438 1.336 7.165 1.00 0.00 N ATOM 401 CA GLU A 28 10.088 1.047 5.894 1.00 0.00 C ATOM 402 C GLU A 28 9.173 0.200 5.009 1.00 0.00 C ATOM 403 O GLU A 28 8.921 0.544 3.853 1.00 0.00 O ATOM 404 CB GLU A 28 11.417 0.325 6.148 1.00 0.00 C ATOM 405 CG GLU A 28 12.462 0.506 5.049 1.00 0.00 C ATOM 406 CD GLU A 28 12.086 -0.157 3.738 1.00 0.00 C ATOM 407 OE1 GLU A 28 12.257 -1.388 3.620 1.00 0.00 O ATOM 408 OE2 GLU A 28 11.630 0.552 2.819 1.00 0.00 O ATOM 0 H GLU A 28 9.896 0.916 7.974 1.00 0.00 H new ATOM 0 HA GLU A 28 10.290 1.983 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.834 0.682 7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.219 -0.740 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.615 1.571 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.413 0.099 5.393 1.00 0.00 H new ATOM 415 N ASP A 29 8.662 -0.896 5.558 1.00 0.00 N ATOM 416 CA ASP A 29 7.804 -1.796 4.794 1.00 0.00 C ATOM 417 C ASP A 29 6.475 -1.142 4.443 1.00 0.00 C ATOM 418 O ASP A 29 5.935 -1.371 3.360 1.00 0.00 O ATOM 419 CB ASP A 29 7.579 -3.111 5.540 1.00 0.00 C ATOM 420 CG ASP A 29 8.780 -4.029 5.437 1.00 0.00 C ATOM 421 OD1 ASP A 29 9.177 -4.360 4.294 1.00 0.00 O ATOM 422 OD2 ASP A 29 9.335 -4.415 6.483 1.00 0.00 O ATOM 0 H ASP A 29 8.825 -1.182 6.523 1.00 0.00 H new ATOM 0 HA ASP A 29 8.321 -2.018 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.370 -2.902 6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.701 -3.614 5.134 1.00 0.00 H new ATOM 427 N VAL A 30 5.957 -0.318 5.343 1.00 0.00 N ATOM 428 CA VAL A 30 4.736 0.427 5.065 1.00 0.00 C ATOM 429 C VAL A 30 4.965 1.412 3.920 1.00 0.00 C ATOM 430 O VAL A 30 4.165 1.501 2.991 1.00 0.00 O ATOM 431 CB VAL A 30 4.225 1.183 6.309 1.00 0.00 C ATOM 432 CG1 VAL A 30 2.973 1.988 5.982 1.00 0.00 C ATOM 433 CG2 VAL A 30 3.941 0.213 7.444 1.00 0.00 C ATOM 0 H VAL A 30 6.359 -0.149 6.265 1.00 0.00 H new ATOM 0 HA VAL A 30 3.974 -0.297 4.778 1.00 0.00 H new ATOM 0 HB VAL A 30 5.006 1.875 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.633 2.511 6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.201 2.714 5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.188 1.316 5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.582 0.765 8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.182 -0.503 7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.856 -0.319 7.705 1.00 0.00 H new ATOM 443 N ARG A 31 6.078 2.137 3.986 1.00 0.00 N ATOM 444 CA ARG A 31 6.471 3.056 2.920 1.00 0.00 C ATOM 445 C ARG A 31 6.648 2.293 1.608 1.00 0.00 C ATOM 446 O ARG A 31 6.305 2.787 0.530 1.00 0.00 O ATOM 447 CB ARG A 31 7.772 3.776 3.323 1.00 0.00 C ATOM 448 CG ARG A 31 8.309 4.783 2.310 1.00 0.00 C ATOM 449 CD ARG A 31 9.228 4.130 1.281 1.00 0.00 C ATOM 450 NE ARG A 31 10.309 3.364 1.907 1.00 0.00 N ATOM 451 CZ ARG A 31 11.513 3.862 2.194 1.00 0.00 C ATOM 452 NH1 ARG A 31 11.792 5.137 1.947 1.00 0.00 N ATOM 453 NH2 ARG A 31 12.436 3.073 2.723 1.00 0.00 N ATOM 0 H ARG A 31 6.728 2.106 4.771 1.00 0.00 H new ATOM 0 HA ARG A 31 5.691 3.802 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.602 4.293 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.541 3.025 3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.474 5.261 1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.853 5.569 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.642 3.471 0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.656 4.900 0.639 1.00 0.00 H new ATOM 0 HE ARG A 31 10.129 2.387 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.083 5.744 1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.715 5.509 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.224 2.093 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.359 3.446 2.945 1.00 0.00 H new ATOM 467 N LYS A 32 7.174 1.080 1.720 1.00 0.00 N ATOM 468 CA LYS A 32 7.410 0.218 0.570 1.00 0.00 C ATOM 469 C LYS A 32 6.100 -0.131 -0.136 1.00 0.00 C ATOM 470 O LYS A 32 5.944 0.117 -1.333 1.00 0.00 O ATOM 471 CB LYS A 32 8.116 -1.060 1.036 1.00 0.00 C ATOM 472 CG LYS A 32 8.519 -2.004 -0.084 1.00 0.00 C ATOM 473 CD LYS A 32 9.108 -3.310 0.453 1.00 0.00 C ATOM 474 CE LYS A 32 10.415 -3.098 1.217 1.00 0.00 C ATOM 475 NZ LYS A 32 10.196 -2.606 2.604 1.00 0.00 N ATOM 0 H LYS A 32 7.449 0.666 2.611 1.00 0.00 H new ATOM 0 HA LYS A 32 8.040 0.749 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.008 -0.782 1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.459 -1.592 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.649 -2.226 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.250 -1.513 -0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.382 -3.788 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.284 -3.993 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.967 -4.037 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.035 -2.383 0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.105 -2.576 3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.786 -1.651 2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.544 -3.247 3.101 1.00 0.00 H new ATOM 489 N ILE A 33 5.153 -0.687 0.615 1.00 0.00 N ATOM 490 CA ILE A 33 3.885 -1.122 0.037 1.00 0.00 C ATOM 491 C ILE A 33 3.033 0.067 -0.406 1.00 0.00 C ATOM 492 O ILE A 33 2.340 -0.009 -1.420 1.00 0.00 O ATOM 493 CB ILE A 33 3.072 -2.013 1.007 1.00 0.00 C ATOM 494 CG1 ILE A 33 2.785 -1.278 2.321 1.00 0.00 C ATOM 495 CG2 ILE A 33 3.812 -3.317 1.271 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.894 -2.050 3.272 1.00 0.00 C ATOM 0 H ILE A 33 5.239 -0.846 1.619 1.00 0.00 H new ATOM 0 HA ILE A 33 4.141 -1.719 -0.838 1.00 0.00 H new ATOM 0 HB ILE A 33 2.115 -2.244 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.730 -1.061 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.316 -0.320 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.229 -3.934 1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.954 -3.851 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.783 -3.101 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.737 -1.466 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.934 -2.244 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.370 -2.997 3.529 1.00 0.00 H new ATOM 508 N ALA A 34 3.105 1.167 0.343 1.00 0.00 N ATOM 509 CA ALA A 34 2.338 2.368 0.020 1.00 0.00 C ATOM 510 C ALA A 34 2.729 2.917 -1.346 1.00 0.00 C ATOM 511 O ALA A 34 1.878 3.340 -2.126 1.00 0.00 O ATOM 512 CB ALA A 34 2.531 3.432 1.089 1.00 0.00 C ATOM 0 H ALA A 34 3.686 1.251 1.177 1.00 0.00 H new ATOM 0 HA ALA A 34 1.284 2.092 -0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.951 4.318 0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.193 3.047 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.587 3.695 1.154 1.00 0.00 H new ATOM 518 N THR A 35 4.021 2.889 -1.634 1.00 0.00 N ATOM 519 CA THR A 35 4.526 3.369 -2.910 1.00 0.00 C ATOM 520 C THR A 35 4.093 2.433 -4.042 1.00 0.00 C ATOM 521 O THR A 35 3.768 2.878 -5.146 1.00 0.00 O ATOM 522 CB THR A 35 6.065 3.482 -2.884 1.00 0.00 C ATOM 523 OG1 THR A 35 6.475 4.263 -1.750 1.00 0.00 O ATOM 524 CG2 THR A 35 6.590 4.128 -4.160 1.00 0.00 C ATOM 0 H THR A 35 4.739 2.538 -1.000 1.00 0.00 H new ATOM 0 HA THR A 35 4.107 4.360 -3.087 1.00 0.00 H new ATOM 0 HB THR A 35 6.478 2.476 -2.811 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.347 3.742 -0.930 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.677 4.195 -4.114 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.300 3.524 -5.020 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.169 5.128 -4.261 1.00 0.00 H new ATOM 532 N ALA A 36 4.062 1.142 -3.743 1.00 0.00 N ATOM 533 CA ALA A 36 3.701 0.131 -4.726 1.00 0.00 C ATOM 534 C ALA A 36 2.230 0.236 -5.113 1.00 0.00 C ATOM 535 O ALA A 36 1.898 0.292 -6.299 1.00 0.00 O ATOM 536 CB ALA A 36 4.010 -1.258 -4.187 1.00 0.00 C ATOM 0 H ALA A 36 4.284 0.768 -2.820 1.00 0.00 H new ATOM 0 HA ALA A 36 4.295 0.304 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.736 -2.006 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.075 -1.335 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.440 -1.429 -3.274 1.00 0.00 H new ATOM 542 N LEU A 37 1.352 0.275 -4.115 1.00 0.00 N ATOM 543 CA LEU A 37 -0.080 0.344 -4.365 1.00 0.00 C ATOM 544 C LEU A 37 -0.441 1.656 -5.054 1.00 0.00 C ATOM 545 O LEU A 37 -1.348 1.704 -5.882 1.00 0.00 O ATOM 546 CB LEU A 37 -0.868 0.162 -3.054 1.00 0.00 C ATOM 547 CG LEU A 37 -0.626 1.213 -1.961 1.00 0.00 C ATOM 548 CD1 LEU A 37 -1.593 2.381 -2.097 1.00 0.00 C ATOM 549 CD2 LEU A 37 -0.744 0.581 -0.585 1.00 0.00 C ATOM 0 H LEU A 37 1.609 0.260 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.356 -0.470 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.932 0.156 -3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.628 -0.819 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 37 0.386 1.600 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.397 3.109 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.458 2.854 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.617 2.018 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.570 1.338 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.743 0.163 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.004 -0.213 -0.484 1.00 0.00 H new ATOM 561 N LEU A 38 0.298 2.711 -4.727 1.00 0.00 N ATOM 562 CA LEU A 38 0.074 4.020 -5.324 1.00 0.00 C ATOM 563 C LEU A 38 0.396 3.993 -6.815 1.00 0.00 C ATOM 564 O LEU A 38 -0.402 4.429 -7.639 1.00 0.00 O ATOM 565 CB LEU A 38 0.934 5.076 -4.621 1.00 0.00 C ATOM 566 CG LEU A 38 0.735 6.514 -5.104 1.00 0.00 C ATOM 567 CD1 LEU A 38 -0.682 6.987 -4.815 1.00 0.00 C ATOM 568 CD2 LEU A 38 1.752 7.433 -4.448 1.00 0.00 C ATOM 0 H LEU A 38 1.060 2.683 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.978 4.279 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.724 5.038 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.983 4.810 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 38 0.887 6.542 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.802 8.012 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.393 6.341 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.867 6.947 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.600 8.454 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.627 7.400 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.759 7.106 -4.708 1.00 0.00 H new ATOM 580 N LYS A 39 1.558 3.452 -7.154 1.00 0.00 N ATOM 581 CA LYS A 39 2.017 3.420 -8.535 1.00 0.00 C ATOM 582 C LYS A 39 1.178 2.469 -9.393 1.00 0.00 C ATOM 583 O LYS A 39 1.194 2.554 -10.620 1.00 0.00 O ATOM 584 CB LYS A 39 3.489 3.005 -8.572 1.00 0.00 C ATOM 585 CG LYS A 39 4.156 3.170 -9.929 1.00 0.00 C ATOM 586 CD LYS A 39 4.159 4.627 -10.385 1.00 0.00 C ATOM 587 CE LYS A 39 2.964 4.970 -11.272 1.00 0.00 C ATOM 588 NZ LYS A 39 3.014 4.262 -12.580 1.00 0.00 N ATOM 0 H LYS A 39 2.203 3.027 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 39 1.903 4.420 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.038 3.594 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.567 1.961 -8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.181 2.803 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.636 2.559 -10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.155 5.277 -9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.081 4.831 -10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.042 4.708 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.938 6.046 -11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.420 4.765 -13.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.995 4.235 -12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.662 3.290 -12.463 1.00 0.00 H new ATOM 602 N THR A 40 0.446 1.570 -8.758 1.00 0.00 N ATOM 603 CA THR A 40 -0.353 0.608 -9.500 1.00 0.00 C ATOM 604 C THR A 40 -1.804 1.081 -9.628 1.00 0.00 C ATOM 605 O THR A 40 -2.486 0.769 -10.603 1.00 0.00 O ATOM 606 CB THR A 40 -0.302 -0.779 -8.831 1.00 0.00 C ATOM 607 OG1 THR A 40 1.046 -1.082 -8.446 1.00 0.00 O ATOM 608 CG2 THR A 40 -0.789 -1.857 -9.781 1.00 0.00 C ATOM 0 H THR A 40 0.388 1.485 -7.743 1.00 0.00 H new ATOM 0 HA THR A 40 0.071 0.526 -10.501 1.00 0.00 H new ATOM 0 HB THR A 40 -0.950 -0.755 -7.955 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.238 -0.673 -7.576 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.743 -2.827 -9.285 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.818 -1.647 -10.073 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.156 -1.873 -10.668 1.00 0.00 H new ATOM 616 N ALA A 41 -2.268 1.849 -8.648 1.00 0.00 N ATOM 617 CA ALA A 41 -3.623 2.389 -8.685 1.00 0.00 C ATOM 618 C ALA A 41 -3.654 3.723 -9.418 1.00 0.00 C ATOM 619 O ALA A 41 -4.714 4.186 -9.847 1.00 0.00 O ATOM 620 CB ALA A 41 -4.175 2.543 -7.275 1.00 0.00 C ATOM 0 H ALA A 41 -1.729 2.111 -7.822 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.254 1.686 -9.229 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.186 2.947 -7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.195 1.570 -6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.539 3.222 -6.708 1.00 0.00 H new ATOM 626 N ILE A 42 -2.488 4.342 -9.546 1.00 0.00 N ATOM 627 CA ILE A 42 -2.357 5.602 -10.258 1.00 0.00 C ATOM 628 C ILE A 42 -1.478 5.416 -11.488 1.00 0.00 C ATOM 629 O ILE A 42 -0.250 5.372 -11.388 1.00 0.00 O ATOM 630 CB ILE A 42 -1.742 6.707 -9.369 1.00 0.00 C ATOM 631 CG1 ILE A 42 -2.569 6.913 -8.094 1.00 0.00 C ATOM 632 CG2 ILE A 42 -1.623 8.016 -10.138 1.00 0.00 C ATOM 633 CD1 ILE A 42 -3.986 7.377 -8.347 1.00 0.00 C ATOM 0 H ILE A 42 -1.613 3.986 -9.161 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.360 5.913 -10.550 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.743 6.382 -9.080 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.598 5.976 -7.537 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.066 7.644 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.188 8.779 -9.493 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.984 7.870 -11.009 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.612 8.338 -10.464 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.504 7.499 -7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.968 8.330 -8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.509 6.637 -8.952 1.00 0.00 H new ATOM 645 N GLU A 43 -2.117 5.287 -12.635 1.00 0.00 N ATOM 646 CA GLU A 43 -1.417 5.132 -13.899 1.00 0.00 C ATOM 647 C GLU A 43 -2.181 5.871 -14.992 1.00 0.00 C ATOM 648 O GLU A 43 -3.398 6.042 -14.899 1.00 0.00 O ATOM 649 CB GLU A 43 -1.279 3.646 -14.260 1.00 0.00 C ATOM 650 CG GLU A 43 -0.495 3.388 -15.547 1.00 0.00 C ATOM 651 CD GLU A 43 1.010 3.542 -15.384 1.00 0.00 C ATOM 652 OE1 GLU A 43 1.451 4.518 -14.740 1.00 0.00 O ATOM 653 OE2 GLU A 43 1.761 2.694 -15.922 1.00 0.00 O ATOM 0 H GLU A 43 -3.134 5.286 -12.719 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.416 5.554 -13.807 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.787 3.127 -13.437 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.274 3.213 -14.360 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.713 2.380 -15.899 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.841 4.077 -16.318 1.00 0.00 H new ATOM 660 N ILE A 44 -1.474 6.324 -16.015 1.00 0.00 N ATOM 661 CA ILE A 44 -2.111 7.019 -17.110 1.00 0.00 C ATOM 662 C ILE A 44 -2.584 6.036 -18.178 1.00 0.00 C ATOM 663 O ILE A 44 -1.800 5.263 -18.731 1.00 0.00 O ATOM 664 CB ILE A 44 -1.171 8.074 -17.734 1.00 0.00 C ATOM 665 CG1 ILE A 44 0.141 7.442 -18.213 1.00 0.00 C ATOM 666 CG2 ILE A 44 -0.890 9.183 -16.732 1.00 0.00 C ATOM 667 CD1 ILE A 44 1.032 8.398 -18.980 1.00 0.00 C ATOM 0 H ILE A 44 -0.463 6.221 -16.105 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.979 7.538 -16.704 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.672 8.498 -18.604 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.688 7.063 -17.350 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.089 6.585 -18.847 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.226 9.921 -17.183 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.827 9.663 -16.448 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.415 8.761 -15.846 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.941 7.881 -19.287 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.504 8.758 -19.863 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.293 9.243 -18.343 1.00 0.00 H new ATOM 679 N VAL A 45 -3.879 6.054 -18.448 1.00 0.00 N ATOM 680 CA VAL A 45 -4.453 5.197 -19.468 1.00 0.00 C ATOM 681 C VAL A 45 -4.340 5.863 -20.831 1.00 0.00 C ATOM 682 O VAL A 45 -4.477 7.083 -20.952 1.00 0.00 O ATOM 683 CB VAL A 45 -5.927 4.843 -19.164 1.00 0.00 C ATOM 684 CG1 VAL A 45 -6.008 3.919 -17.958 1.00 0.00 C ATOM 685 CG2 VAL A 45 -6.747 6.101 -18.922 1.00 0.00 C ATOM 0 H VAL A 45 -4.553 6.655 -17.973 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.889 4.264 -19.472 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.341 4.328 -20.031 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.051 3.677 -17.754 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.457 3.002 -18.165 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.574 4.415 -17.090 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.780 5.827 -18.710 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.335 6.646 -18.073 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.714 6.733 -19.809 1.00 0.00 H new ATOM 772 N HIS A 53 -4.922 9.803 -19.977 1.00 0.00 N ATOM 773 CA HIS A 53 -5.607 10.326 -18.801 1.00 0.00 C ATOM 774 C HIS A 53 -5.099 9.640 -17.544 1.00 0.00 C ATOM 775 O HIS A 53 -4.951 8.419 -17.516 1.00 0.00 O ATOM 776 CB HIS A 53 -7.120 10.118 -18.896 1.00 0.00 C ATOM 777 CG HIS A 53 -7.826 11.094 -19.784 1.00 0.00 C ATOM 778 ND1 HIS A 53 -8.197 12.352 -19.370 1.00 0.00 N ATOM 779 CD2 HIS A 53 -8.257 10.980 -21.059 1.00 0.00 C ATOM 780 CE1 HIS A 53 -8.821 12.970 -20.352 1.00 0.00 C ATOM 781 NE2 HIS A 53 -8.874 12.159 -21.391 1.00 0.00 N ATOM 0 HA HIS A 53 -5.398 11.395 -18.754 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.313 9.109 -19.260 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.546 10.182 -17.895 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.138 10.119 -21.699 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.222 13.972 -20.313 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.303 12.373 -22.291 1.00 0.00 H new ATOM 790 N ASN A 54 -4.823 10.417 -16.512 1.00 0.00 N ATOM 791 CA ASN A 54 -4.454 9.848 -15.226 1.00 0.00 C ATOM 792 C ASN A 54 -5.720 9.657 -14.405 1.00 0.00 C ATOM 793 O ASN A 54 -6.315 10.624 -13.931 1.00 0.00 O ATOM 794 CB ASN A 54 -3.469 10.759 -14.483 1.00 0.00 C ATOM 795 CG ASN A 54 -2.851 10.093 -13.263 1.00 0.00 C ATOM 796 OD1 ASN A 54 -3.428 9.187 -12.669 1.00 0.00 O ATOM 797 ND2 ASN A 54 -1.672 10.557 -12.872 1.00 0.00 N ATOM 0 H ASN A 54 -4.847 11.436 -16.537 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.959 8.889 -15.382 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.676 11.062 -15.166 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.986 11.667 -14.172 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.214 10.160 -12.052 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.223 11.311 -13.391 1.00 0.00 H new ATOM 804 N GLN A 55 -6.144 8.416 -14.264 1.00 0.00 N ATOM 805 CA GLN A 55 -7.402 8.120 -13.601 1.00 0.00 C ATOM 806 C GLN A 55 -7.175 7.180 -12.428 1.00 0.00 C ATOM 807 O GLN A 55 -6.682 6.065 -12.599 1.00 0.00 O ATOM 808 CB GLN A 55 -8.389 7.508 -14.603 1.00 0.00 C ATOM 809 CG GLN A 55 -9.756 7.183 -14.016 1.00 0.00 C ATOM 810 CD GLN A 55 -10.740 6.693 -15.067 1.00 0.00 C ATOM 811 OE1 GLN A 55 -10.229 6.049 -16.104 1.00 0.00 O flip ATOM 812 NE2 GLN A 55 -11.950 6.887 -14.943 1.00 0.00 N flip ATOM 0 H GLN A 55 -5.637 7.596 -14.599 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.826 9.047 -13.216 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.519 8.199 -15.436 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.955 6.595 -15.011 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.645 6.421 -13.244 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.160 8.072 -13.531 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.305 7.388 -14.129 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.597 6.547 -15.655 1.00 0.00 H new ATOM 821 N CYS A 56 -7.529 7.640 -11.236 1.00 0.00 N ATOM 822 CA CYS A 56 -7.356 6.841 -10.035 1.00 0.00 C ATOM 823 C CYS A 56 -8.348 5.687 -10.021 1.00 0.00 C ATOM 824 O CYS A 56 -9.562 5.895 -10.024 1.00 0.00 O ATOM 825 CB CYS A 56 -7.518 7.710 -8.781 1.00 0.00 C ATOM 826 SG CYS A 56 -9.097 8.590 -8.675 1.00 0.00 S ATOM 0 H CYS A 56 -7.937 8.561 -11.077 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.347 6.429 -10.035 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.409 7.078 -7.900 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.708 8.439 -8.752 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.198 9.422 -9.669 1.00 0.00 H new ATOM 832 N LYS A 57 -7.826 4.470 -9.990 1.00 0.00 N ATOM 833 CA LYS A 57 -8.654 3.273 -10.033 1.00 0.00 C ATOM 834 C LYS A 57 -9.291 3.002 -8.675 1.00 0.00 C ATOM 835 O LYS A 57 -9.975 2.000 -8.488 1.00 0.00 O ATOM 836 CB LYS A 57 -7.800 2.079 -10.466 1.00 0.00 C ATOM 837 CG LYS A 57 -7.376 2.139 -11.927 1.00 0.00 C ATOM 838 CD LYS A 57 -6.163 1.263 -12.216 1.00 0.00 C ATOM 839 CE LYS A 57 -6.362 -0.181 -11.771 1.00 0.00 C ATOM 840 NZ LYS A 57 -7.586 -0.792 -12.349 1.00 0.00 N ATOM 0 H LYS A 57 -6.825 4.284 -9.935 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.456 3.427 -10.755 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.910 2.031 -9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.360 1.160 -10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.207 1.823 -12.557 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.148 3.171 -12.194 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.951 1.284 -13.285 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.291 1.678 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.493 -0.771 -12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.421 -0.218 -10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.280 -0.962 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.995 -0.148 -13.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.342 -1.695 -12.804 1.00 0.00 H new ATOM 854 N LEU A 58 -9.074 3.912 -7.738 1.00 0.00 N ATOM 855 CA LEU A 58 -9.529 3.716 -6.375 1.00 0.00 C ATOM 856 C LEU A 58 -10.741 4.589 -6.053 1.00 0.00 C ATOM 857 O LEU A 58 -11.371 4.420 -5.010 1.00 0.00 O ATOM 858 CB LEU A 58 -8.393 4.027 -5.407 1.00 0.00 C ATOM 859 CG LEU A 58 -8.490 3.318 -4.060 1.00 0.00 C ATOM 860 CD1 LEU A 58 -8.478 1.813 -4.266 1.00 0.00 C ATOM 861 CD2 LEU A 58 -7.349 3.742 -3.156 1.00 0.00 C ATOM 0 H LEU A 58 -8.585 4.793 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.833 2.675 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.448 3.755 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.365 5.103 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.427 3.598 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.548 1.313 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.326 1.524 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.551 1.521 -4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.433 3.227 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.399 3.485 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.394 4.819 -2.994 1.00 0.00 H new ATOM 873 N CYS A 59 -11.061 5.527 -6.938 1.00 0.00 N ATOM 874 CA CYS A 59 -12.199 6.417 -6.715 1.00 0.00 C ATOM 875 C CYS A 59 -12.891 6.769 -8.033 1.00 0.00 C ATOM 876 O CYS A 59 -14.106 6.952 -8.068 1.00 0.00 O ATOM 877 CB CYS A 59 -11.765 7.688 -5.971 1.00 0.00 C ATOM 878 SG CYS A 59 -11.046 7.380 -4.338 1.00 0.00 S ATOM 0 H CYS A 59 -10.555 5.691 -7.809 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.918 5.887 -6.090 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.037 8.223 -6.581 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.629 8.343 -5.858 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.105 6.109 -4.070 1.00 0.00 H new ATOM 884 N GLY A 60 -12.120 6.857 -9.116 1.00 0.00 N ATOM 885 CA GLY A 60 -12.714 7.087 -10.421 1.00 0.00 C ATOM 886 C GLY A 60 -12.464 8.484 -10.959 1.00 0.00 C ATOM 887 O GLY A 60 -12.798 8.781 -12.106 1.00 0.00 O ATOM 0 H GLY A 60 -11.103 6.774 -9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.317 6.357 -11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.789 6.917 -10.358 1.00 0.00 H new ATOM 891 N ALA A 61 -11.873 9.339 -10.139 1.00 0.00 N ATOM 892 CA ALA A 61 -11.586 10.705 -10.546 1.00 0.00 C ATOM 893 C ALA A 61 -10.369 10.749 -11.463 1.00 0.00 C ATOM 894 O ALA A 61 -9.448 9.940 -11.324 1.00 0.00 O ATOM 895 CB ALA A 61 -11.367 11.587 -9.326 1.00 0.00 C ATOM 0 H ALA A 61 -11.583 9.111 -9.188 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.444 11.086 -11.099 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.153 12.606 -9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.265 11.582 -8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.526 11.205 -8.747 1.00 0.00 H new ATOM 901 N SER A 62 -10.373 11.687 -12.399 1.00 0.00 N ATOM 902 CA SER A 62 -9.279 11.826 -13.347 1.00 0.00 C ATOM 903 C SER A 62 -8.538 13.146 -13.137 1.00 0.00 C ATOM 904 O SER A 62 -9.132 14.148 -12.733 1.00 0.00 O ATOM 905 CB SER A 62 -9.815 11.739 -14.776 1.00 0.00 C ATOM 906 OG SER A 62 -10.497 10.513 -14.986 1.00 0.00 O ATOM 0 H SER A 62 -11.125 12.365 -12.522 1.00 0.00 H new ATOM 0 HA SER A 62 -8.572 11.013 -13.181 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.490 12.573 -14.967 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.991 11.828 -15.484 1.00 0.00 H new ATOM 0 HG SER A 62 -10.833 10.479 -15.906 1.00 0.00 H new ATOM 912 N VAL A 63 -7.243 13.127 -13.406 1.00 0.00 N ATOM 913 CA VAL A 63 -6.385 14.291 -13.235 1.00 0.00 C ATOM 914 C VAL A 63 -5.437 14.387 -14.436 1.00 0.00 C ATOM 915 O VAL A 63 -5.216 13.378 -15.113 1.00 0.00 O ATOM 916 CB VAL A 63 -5.584 14.165 -11.908 1.00 0.00 C ATOM 917 CG1 VAL A 63 -4.508 13.098 -12.004 1.00 0.00 C ATOM 918 CG2 VAL A 63 -4.982 15.491 -11.471 1.00 0.00 C ATOM 0 H VAL A 63 -6.754 12.301 -13.751 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.988 15.197 -13.182 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.300 13.861 -11.144 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.969 13.039 -11.058 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.969 12.134 -12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.812 13.354 -12.803 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.433 15.352 -10.540 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.303 15.854 -12.242 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.778 16.219 -11.317 1.00 0.00 H new ATOM 928 N PRO A 64 -4.940 15.598 -14.779 1.00 0.00 N ATOM 929 CA PRO A 64 -3.886 15.767 -15.778 1.00 0.00 C ATOM 930 C PRO A 64 -2.823 14.671 -15.703 1.00 0.00 C ATOM 931 O PRO A 64 -2.266 14.395 -14.635 1.00 0.00 O ATOM 932 CB PRO A 64 -3.290 17.117 -15.405 1.00 0.00 C ATOM 933 CG PRO A 64 -4.441 17.900 -14.866 1.00 0.00 C ATOM 934 CD PRO A 64 -5.406 16.903 -14.269 1.00 0.00 C ATOM 0 HA PRO A 64 -4.268 15.710 -16.797 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.500 17.010 -14.661 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.847 17.608 -16.272 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.105 18.612 -14.112 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.921 18.476 -15.657 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.388 16.934 -13.180 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.431 17.108 -14.577 1.00 0.00 H new ATOM 942 N TRP A 65 -2.555 14.050 -16.845 1.00 0.00 N ATOM 943 CA TRP A 65 -1.643 12.917 -16.917 1.00 0.00 C ATOM 944 C TRP A 65 -0.215 13.337 -16.575 1.00 0.00 C ATOM 945 O TRP A 65 0.095 14.531 -16.551 1.00 0.00 O ATOM 946 CB TRP A 65 -1.687 12.290 -18.321 1.00 0.00 C ATOM 947 CG TRP A 65 -0.934 13.073 -19.359 1.00 0.00 C ATOM 948 CD1 TRP A 65 0.248 12.721 -19.949 1.00 0.00 C ATOM 949 CD2 TRP A 65 -1.298 14.340 -19.924 1.00 0.00 C ATOM 950 NE1 TRP A 65 0.642 13.692 -20.835 1.00 0.00 N ATOM 951 CE2 TRP A 65 -0.288 14.694 -20.839 1.00 0.00 C ATOM 952 CE3 TRP A 65 -2.375 15.211 -19.744 1.00 0.00 C ATOM 953 CZ2 TRP A 65 -0.324 15.876 -21.567 1.00 0.00 C ATOM 954 CZ3 TRP A 65 -2.412 16.386 -20.471 1.00 0.00 C ATOM 955 CH2 TRP A 65 -1.391 16.711 -21.374 1.00 0.00 C ATOM 0 H TRP A 65 -2.961 14.316 -17.742 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.964 12.177 -16.184 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.276 11.282 -18.271 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.727 12.196 -18.634 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.793 11.811 -19.747 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.491 13.670 -21.399 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.165 14.970 -19.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.463 16.128 -22.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -3.242 17.065 -20.341 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -1.447 17.637 -21.927 1.00 0.00 H new ATOM 966 N LEU A 66 0.631 12.346 -16.284 1.00 0.00 N ATOM 967 CA LEU A 66 2.064 12.554 -16.039 1.00 0.00 C ATOM 968 C LEU A 66 2.312 13.137 -14.639 1.00 0.00 C ATOM 969 O LEU A 66 3.306 12.806 -13.993 1.00 0.00 O ATOM 970 CB LEU A 66 2.667 13.451 -17.148 1.00 0.00 C ATOM 971 CG LEU A 66 4.191 13.395 -17.344 1.00 0.00 C ATOM 972 CD1 LEU A 66 4.918 14.182 -16.268 1.00 0.00 C ATOM 973 CD2 LEU A 66 4.675 11.952 -17.373 1.00 0.00 C ATOM 0 H LEU A 66 0.342 11.371 -16.211 1.00 0.00 H new ATOM 0 HA LEU A 66 2.567 11.587 -16.072 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.195 13.184 -18.093 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.391 14.484 -16.935 1.00 0.00 H new ATOM 0 HG LEU A 66 4.420 13.857 -18.304 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.993 14.121 -16.437 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.603 15.225 -16.305 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.680 13.765 -15.289 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.756 11.934 -17.513 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.422 11.464 -16.431 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.194 11.423 -18.196 1.00 0.00 H new ATOM 985 N GLN A 67 1.399 13.974 -14.163 1.00 0.00 N ATOM 986 CA GLN A 67 1.576 14.649 -12.881 1.00 0.00 C ATOM 987 C GLN A 67 1.282 13.700 -11.707 1.00 0.00 C ATOM 988 O GLN A 67 0.824 12.575 -11.907 1.00 0.00 O ATOM 989 CB GLN A 67 0.693 15.901 -12.823 1.00 0.00 C ATOM 990 CG GLN A 67 1.251 16.999 -11.927 1.00 0.00 C ATOM 991 CD GLN A 67 0.564 18.337 -12.127 1.00 0.00 C ATOM 992 OE1 GLN A 67 1.179 19.392 -11.966 1.00 0.00 O ATOM 993 NE2 GLN A 67 -0.710 18.309 -12.481 1.00 0.00 N ATOM 0 H GLN A 67 0.529 14.202 -14.644 1.00 0.00 H new ATOM 0 HA GLN A 67 2.618 14.957 -12.791 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.569 16.295 -13.832 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.298 15.620 -12.466 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.148 16.697 -10.885 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.317 17.112 -12.122 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.185 17.415 -12.605 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.217 19.181 -12.630 1.00 0.00 H new ATOM 1002 N THR A 68 1.539 14.176 -10.488 1.00 0.00 N ATOM 1003 CA THR A 68 1.525 13.335 -9.289 1.00 0.00 C ATOM 1004 C THR A 68 0.111 12.905 -8.865 1.00 0.00 C ATOM 1005 O THR A 68 -0.046 11.954 -8.091 1.00 0.00 O ATOM 1006 CB THR A 68 2.212 14.066 -8.109 1.00 0.00 C ATOM 1007 OG1 THR A 68 2.318 13.201 -6.969 1.00 0.00 O ATOM 1008 CG2 THR A 68 1.447 15.328 -7.726 1.00 0.00 C ATOM 0 H THR A 68 1.763 15.154 -10.303 1.00 0.00 H new ATOM 0 HA THR A 68 2.076 12.430 -9.547 1.00 0.00 H new ATOM 0 HB THR A 68 3.213 14.350 -8.435 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.756 13.680 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.951 15.821 -6.895 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.409 16.004 -8.580 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.433 15.062 -7.428 1.00 0.00 H new ATOM 1016 N GLY A 69 -0.910 13.596 -9.360 1.00 0.00 N ATOM 1017 CA GLY A 69 -2.272 13.275 -8.971 1.00 0.00 C ATOM 1018 C GLY A 69 -2.515 13.528 -7.493 1.00 0.00 C ATOM 1019 O GLY A 69 -2.703 12.594 -6.711 1.00 0.00 O ATOM 0 H GLY A 69 -0.821 14.369 -10.020 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.968 13.872 -9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.477 12.229 -9.199 1.00 0.00 H new ATOM 1091 N HIS A 74 -10.994 13.856 -3.394 1.00 0.00 N ATOM 1092 CA HIS A 74 -10.832 12.517 -2.849 1.00 0.00 C ATOM 1093 C HIS A 74 -11.852 12.199 -1.769 1.00 0.00 C ATOM 1094 O HIS A 74 -12.462 13.089 -1.184 1.00 0.00 O ATOM 1095 CB HIS A 74 -9.420 12.363 -2.266 1.00 0.00 C ATOM 1096 CG HIS A 74 -9.098 13.359 -1.182 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -9.504 13.213 0.130 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -8.410 14.525 -1.229 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -9.081 14.246 0.838 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -8.416 15.054 0.037 1.00 0.00 N ATOM 0 HA HIS A 74 -10.989 11.817 -3.670 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -9.310 11.355 -1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -8.692 12.467 -3.070 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -10.046 12.430 0.496 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -7.943 14.958 -2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.251 14.401 1.893 1.00 0.00 H new ATOM 1109 N ALA A 75 -12.013 10.910 -1.515 1.00 0.00 N ATOM 1110 CA ALA A 75 -12.780 10.435 -0.382 1.00 0.00 C ATOM 1111 C ALA A 75 -12.021 10.738 0.901 1.00 0.00 C ATOM 1112 O ALA A 75 -10.789 10.824 0.893 1.00 0.00 O ATOM 1113 CB ALA A 75 -13.048 8.943 -0.527 1.00 0.00 C ATOM 0 H ALA A 75 -11.615 10.167 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.742 10.946 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.625 8.592 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -13.610 8.762 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.101 8.406 -0.570 1.00 0.00 H new ATOM 1119 N ASP A 76 -12.751 10.918 1.988 1.00 0.00 N ATOM 1120 CA ASP A 76 -12.155 11.315 3.266 1.00 0.00 C ATOM 1121 C ASP A 76 -11.160 10.275 3.768 1.00 0.00 C ATOM 1122 O ASP A 76 -10.062 10.611 4.214 1.00 0.00 O ATOM 1123 CB ASP A 76 -13.247 11.528 4.320 1.00 0.00 C ATOM 1124 CG ASP A 76 -12.694 12.066 5.626 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -12.389 13.278 5.688 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -12.559 11.286 6.592 1.00 0.00 O ATOM 0 H ASP A 76 -13.763 10.796 2.018 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.619 12.250 3.100 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.993 12.222 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.757 10.583 4.507 1.00 0.00 H new ATOM 1131 N ASP A 77 -11.542 9.015 3.651 1.00 0.00 N ATOM 1132 CA ASP A 77 -10.748 7.914 4.192 1.00 0.00 C ATOM 1133 C ASP A 77 -10.014 7.183 3.071 1.00 0.00 C ATOM 1134 O ASP A 77 -9.514 6.073 3.243 1.00 0.00 O ATOM 1135 CB ASP A 77 -11.662 6.956 4.957 1.00 0.00 C ATOM 1136 CG ASP A 77 -10.901 5.941 5.790 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -10.072 6.351 6.632 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -11.122 4.725 5.599 1.00 0.00 O ATOM 0 H ASP A 77 -12.401 8.723 3.185 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.000 8.313 4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.318 7.533 5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.300 6.429 4.248 1.00 0.00 H new ATOM 1143 N CYS A 78 -9.953 7.833 1.919 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.306 7.268 0.737 1.00 0.00 C ATOM 1145 C CYS A 78 -7.867 6.854 1.045 1.00 0.00 C ATOM 1146 O CYS A 78 -7.067 7.666 1.515 1.00 0.00 O ATOM 1147 CB CYS A 78 -9.321 8.280 -0.412 1.00 0.00 C ATOM 1148 SG CYS A 78 -8.599 7.669 -1.953 1.00 0.00 S ATOM 0 H CYS A 78 -10.347 8.762 1.774 1.00 0.00 H new ATOM 0 HA CYS A 78 -9.864 6.380 0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -10.351 8.581 -0.602 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -8.780 9.174 -0.100 1.00 0.00 H new ATOM 0 HG CYS A 78 -9.507 7.659 -2.883 1.00 0.00 H new ATOM 1154 N PRO A 79 -7.530 5.577 0.783 1.00 0.00 N ATOM 1155 CA PRO A 79 -6.193 5.024 1.045 1.00 0.00 C ATOM 1156 C PRO A 79 -5.069 5.823 0.387 1.00 0.00 C ATOM 1157 O PRO A 79 -3.966 5.897 0.922 1.00 0.00 O ATOM 1158 CB PRO A 79 -6.266 3.616 0.449 1.00 0.00 C ATOM 1159 CG PRO A 79 -7.715 3.272 0.478 1.00 0.00 C ATOM 1160 CD PRO A 79 -8.445 4.561 0.231 1.00 0.00 C ATOM 0 HA PRO A 79 -5.957 5.046 2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.874 3.595 -0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.678 2.907 1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.957 2.533 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.996 2.841 1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.631 4.721 -0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.414 4.577 0.731 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.353 6.426 -0.767 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.367 7.250 -1.466 1.00 0.00 C ATOM 1170 C VAL A 80 -3.919 8.414 -0.584 1.00 0.00 C ATOM 1171 O VAL A 80 -2.734 8.751 -0.527 1.00 0.00 O ATOM 1172 CB VAL A 80 -4.928 7.801 -2.798 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -3.914 8.709 -3.486 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -5.320 6.658 -3.723 1.00 0.00 C ATOM 0 H VAL A 80 -6.256 6.360 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.512 6.612 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.816 8.391 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.335 9.082 -4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.676 9.549 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.005 8.145 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.713 7.063 -4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.444 6.044 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.084 6.047 -3.243 1.00 0.00 H new ATOM 1184 N VAL A 81 -4.872 9.000 0.127 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.593 10.126 1.003 1.00 0.00 C ATOM 1186 C VAL A 81 -3.741 9.675 2.184 1.00 0.00 C ATOM 1187 O VAL A 81 -2.802 10.361 2.588 1.00 0.00 O ATOM 1188 CB VAL A 81 -5.900 10.766 1.522 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -5.612 12.028 2.319 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -6.842 11.065 0.366 1.00 0.00 C ATOM 0 H VAL A 81 -5.850 8.711 0.113 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.048 10.873 0.425 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.385 10.052 2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.550 12.457 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.981 11.783 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.099 12.750 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.757 11.515 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.361 11.755 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.084 10.139 -0.155 1.00 0.00 H new ATOM 1200 N ILE A 82 -4.067 8.510 2.720 1.00 0.00 N ATOM 1201 CA ILE A 82 -3.330 7.948 3.843 1.00 0.00 C ATOM 1202 C ILE A 82 -1.917 7.552 3.415 1.00 0.00 C ATOM 1203 O ILE A 82 -0.937 7.910 4.070 1.00 0.00 O ATOM 1204 CB ILE A 82 -4.059 6.713 4.424 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -5.497 7.070 4.816 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -3.304 6.154 5.624 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -5.599 8.158 5.865 1.00 0.00 C ATOM 0 H ILE A 82 -4.841 7.932 2.394 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.270 8.715 4.615 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.092 5.945 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.037 7.388 3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.994 6.174 5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.835 5.286 6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.301 5.857 5.317 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.235 6.918 6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.648 8.352 6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.089 7.837 6.773 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.133 9.069 5.490 1.00 0.00 H new ATOM 1219 N ALA A 83 -1.825 6.836 2.299 1.00 0.00 N ATOM 1220 CA ALA A 83 -0.550 6.336 1.798 1.00 0.00 C ATOM 1221 C ALA A 83 0.441 7.468 1.547 1.00 0.00 C ATOM 1222 O ALA A 83 1.590 7.402 1.990 1.00 0.00 O ATOM 1223 CB ALA A 83 -0.764 5.532 0.525 1.00 0.00 C ATOM 0 H ALA A 83 -2.627 6.587 1.720 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.125 5.688 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.195 5.164 0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.421 4.687 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.221 6.167 -0.234 1.00 0.00 H new ATOM 1229 N LYS A 84 -0.006 8.509 0.848 1.00 0.00 N ATOM 1230 CA LYS A 84 0.865 9.636 0.529 1.00 0.00 C ATOM 1231 C LYS A 84 1.356 10.337 1.793 1.00 0.00 C ATOM 1232 O LYS A 84 2.517 10.732 1.874 1.00 0.00 O ATOM 1233 CB LYS A 84 0.160 10.633 -0.393 1.00 0.00 C ATOM 1234 CG LYS A 84 0.069 10.166 -1.837 1.00 0.00 C ATOM 1235 CD LYS A 84 -0.370 11.293 -2.761 1.00 0.00 C ATOM 1236 CE LYS A 84 -0.155 10.933 -4.226 1.00 0.00 C ATOM 1237 NZ LYS A 84 -0.395 12.090 -5.133 1.00 0.00 N ATOM 0 H LYS A 84 -0.959 8.595 0.494 1.00 0.00 H new ATOM 0 HA LYS A 84 1.733 9.236 0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.846 10.816 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.691 11.584 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.039 9.786 -2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.637 9.339 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.424 11.514 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.188 12.198 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.864 10.572 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.822 10.116 -4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.115 11.942 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.414 12.175 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.054 12.962 -4.681 1.00 0.00 H new ATOM 1251 N GLN A 85 0.476 10.485 2.775 1.00 0.00 N ATOM 1252 CA GLN A 85 0.847 11.077 4.051 1.00 0.00 C ATOM 1253 C GLN A 85 1.916 10.243 4.754 1.00 0.00 C ATOM 1254 O GLN A 85 2.908 10.780 5.252 1.00 0.00 O ATOM 1255 CB GLN A 85 -0.382 11.205 4.946 1.00 0.00 C ATOM 1256 CG GLN A 85 -1.326 12.325 4.540 1.00 0.00 C ATOM 1257 CD GLN A 85 -2.539 12.415 5.445 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -3.595 11.708 5.087 1.00 0.00 O flip ATOM 1259 NE2 GLN A 85 -2.523 13.113 6.458 1.00 0.00 N flip ATOM 0 H GLN A 85 -0.502 10.202 2.711 1.00 0.00 H new ATOM 0 HA GLN A 85 1.258 12.068 3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.927 10.261 4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.056 11.372 5.973 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.790 13.274 4.560 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.654 12.166 3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.686 13.644 6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.347 13.161 7.057 1.00 0.00 H new ATOM 1268 N ILE A 86 1.717 8.931 4.775 1.00 0.00 N ATOM 1269 CA ILE A 86 2.638 8.024 5.454 1.00 0.00 C ATOM 1270 C ILE A 86 4.027 8.048 4.818 1.00 0.00 C ATOM 1271 O ILE A 86 5.032 8.150 5.520 1.00 0.00 O ATOM 1272 CB ILE A 86 2.102 6.573 5.466 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.816 6.486 6.294 1.00 0.00 C ATOM 1274 CG2 ILE A 86 3.156 5.618 6.014 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.190 5.106 6.314 1.00 0.00 C ATOM 0 H ILE A 86 0.925 8.469 4.329 1.00 0.00 H new ATOM 0 HA ILE A 86 2.718 8.378 6.482 1.00 0.00 H new ATOM 0 HB ILE A 86 1.874 6.280 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.034 6.790 7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.091 7.197 5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.761 4.602 6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.047 5.661 5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.415 5.908 7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.716 5.126 6.920 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.061 4.806 5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.896 4.392 6.739 1.00 0.00 H new ATOM 1287 N LEU A 87 4.082 7.976 3.488 1.00 0.00 N ATOM 1288 CA LEU A 87 5.365 7.913 2.791 1.00 0.00 C ATOM 1289 C LEU A 87 6.096 9.254 2.832 1.00 0.00 C ATOM 1290 O LEU A 87 7.287 9.327 2.531 1.00 0.00 O ATOM 1291 CB LEU A 87 5.185 7.418 1.342 1.00 0.00 C ATOM 1292 CG LEU A 87 4.243 8.233 0.441 1.00 0.00 C ATOM 1293 CD1 LEU A 87 4.941 9.463 -0.126 1.00 0.00 C ATOM 1294 CD2 LEU A 87 3.710 7.364 -0.689 1.00 0.00 C ATOM 0 H LEU A 87 3.264 7.960 2.879 1.00 0.00 H new ATOM 0 HA LEU A 87 5.988 7.189 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.167 7.389 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.818 6.392 1.377 1.00 0.00 H new ATOM 0 HG LEU A 87 3.408 8.574 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.247 10.016 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.275 10.101 0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.802 9.152 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.044 7.954 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.543 6.994 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.161 6.520 -0.271 1.00 0.00 H new ATOM 1306 N SER A 88 5.381 10.310 3.198 1.00 0.00 N ATOM 1307 CA SER A 88 5.984 11.619 3.349 1.00 0.00 C ATOM 1308 C SER A 88 6.473 11.817 4.783 1.00 0.00 C ATOM 1309 O SER A 88 7.444 12.540 5.019 1.00 0.00 O ATOM 1310 CB SER A 88 4.968 12.699 2.984 1.00 0.00 C ATOM 1311 OG SER A 88 4.477 12.515 1.664 1.00 0.00 O ATOM 0 H SER A 88 4.381 10.281 3.395 1.00 0.00 H new ATOM 0 HA SER A 88 6.841 11.694 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.138 12.675 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.431 13.682 3.069 1.00 0.00 H new ATOM 0 HG SER A 88 3.874 11.742 1.644 1.00 0.00 H new ATOM 1317 N SER A 89 5.784 11.149 5.719 1.00 0.00 N ATOM 1318 CA SER A 89 6.072 11.192 7.162 1.00 0.00 C ATOM 1319 C SER A 89 5.977 12.610 7.740 1.00 0.00 C ATOM 1320 O SER A 89 5.949 13.596 7.005 1.00 0.00 O ATOM 1321 CB SER A 89 7.437 10.556 7.489 1.00 0.00 C ATOM 1322 OG SER A 89 8.520 11.291 6.944 1.00 0.00 O ATOM 0 H SER A 89 4.992 10.549 5.489 1.00 0.00 H new ATOM 0 HA SER A 89 5.297 10.597 7.645 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.554 10.490 8.571 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.462 9.537 7.103 1.00 0.00 H new ATOM 0 HG SER A 89 8.177 12.082 6.477 1.00 0.00 H new ATOM 1328 N ARG A 90 5.906 12.683 9.072 1.00 0.00 N ATOM 1329 CA ARG A 90 5.836 13.953 9.804 1.00 0.00 C ATOM 1330 C ARG A 90 4.670 14.817 9.318 1.00 0.00 C ATOM 1331 O ARG A 90 4.858 15.750 8.536 1.00 0.00 O ATOM 1332 CB ARG A 90 7.157 14.722 9.682 1.00 0.00 C ATOM 1333 CG ARG A 90 8.385 13.859 9.932 1.00 0.00 C ATOM 1334 CD ARG A 90 9.667 14.673 9.868 1.00 0.00 C ATOM 1335 NE ARG A 90 10.858 13.821 9.854 1.00 0.00 N ATOM 1336 CZ ARG A 90 11.814 13.854 10.781 1.00 0.00 C ATOM 1337 NH1 ARG A 90 11.670 14.606 11.865 1.00 0.00 N ATOM 1338 NH2 ARG A 90 12.897 13.103 10.637 1.00 0.00 N ATOM 0 H ARG A 90 5.895 11.861 9.676 1.00 0.00 H new ATOM 0 HA ARG A 90 5.663 13.718 10.854 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.225 15.157 8.685 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.154 15.550 10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.304 13.385 10.910 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.424 13.059 9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.657 15.296 8.974 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.712 15.346 10.725 1.00 0.00 H new ATOM 0 HE ARG A 90 10.962 13.159 9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.824 15.162 11.991 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.405 14.628 12.572 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.996 12.503 9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.631 13.126 11.345 1.00 0.00 H new ATOM 1710 N TYR B 18 0.531 7.467 14.935 1.00 0.00 N ATOM 1711 CA TYR B 18 1.831 7.475 14.270 1.00 0.00 C ATOM 1712 C TYR B 18 2.696 6.286 14.716 1.00 0.00 C ATOM 1713 O TYR B 18 2.434 5.660 15.737 1.00 0.00 O ATOM 1714 CB TYR B 18 2.524 8.810 14.544 1.00 0.00 C ATOM 1715 CG TYR B 18 3.636 9.156 13.575 1.00 0.00 C ATOM 1716 CD1 TYR B 18 3.349 9.455 12.247 1.00 0.00 C ATOM 1717 CD2 TYR B 18 4.963 9.202 13.988 1.00 0.00 C ATOM 1718 CE1 TYR B 18 4.353 9.783 11.357 1.00 0.00 C ATOM 1719 CE2 TYR B 18 5.972 9.532 13.102 1.00 0.00 C ATOM 1720 CZ TYR B 18 5.662 9.825 11.789 1.00 0.00 C ATOM 1721 OH TYR B 18 6.661 10.162 10.904 1.00 0.00 O ATOM 0 HA TYR B 18 1.685 7.366 13.195 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.777 9.604 14.518 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.933 8.791 15.554 1.00 0.00 H new ATOM 0 HD1 TYR B 18 2.324 9.430 11.906 1.00 0.00 H new ATOM 0 HD2 TYR B 18 5.209 8.977 15.015 1.00 0.00 H new ATOM 0 HE1 TYR B 18 4.114 10.006 10.328 1.00 0.00 H new ATOM 0 HE2 TYR B 18 6.999 9.560 13.436 1.00 0.00 H new ATOM 0 HH TYR B 18 7.526 10.147 11.365 1.00 0.00 H new ATOM 1731 N PHE B 19 3.727 5.975 13.937 1.00 0.00 N ATOM 1732 CA PHE B 19 4.566 4.799 14.181 1.00 0.00 C ATOM 1733 C PHE B 19 5.226 4.826 15.559 1.00 0.00 C ATOM 1734 O PHE B 19 5.491 3.779 16.144 1.00 0.00 O ATOM 1735 CB PHE B 19 5.647 4.694 13.106 1.00 0.00 C ATOM 1736 CG PHE B 19 5.104 4.500 11.719 1.00 0.00 C ATOM 1737 CD1 PHE B 19 4.810 3.230 11.250 1.00 0.00 C ATOM 1738 CD2 PHE B 19 4.895 5.584 10.883 1.00 0.00 C ATOM 1739 CE1 PHE B 19 4.313 3.046 9.975 1.00 0.00 C ATOM 1740 CE2 PHE B 19 4.398 5.405 9.607 1.00 0.00 C ATOM 1741 CZ PHE B 19 4.108 4.135 9.151 1.00 0.00 C ATOM 0 H PHE B 19 4.006 6.524 13.124 1.00 0.00 H new ATOM 0 HA PHE B 19 3.910 3.929 14.144 1.00 0.00 H new ATOM 0 HB2 PHE B 19 6.255 5.599 13.125 1.00 0.00 H new ATOM 0 HB3 PHE B 19 6.307 3.861 13.348 1.00 0.00 H new ATOM 0 HD1 PHE B 19 4.971 2.374 11.889 1.00 0.00 H new ATOM 0 HD2 PHE B 19 5.123 6.580 11.233 1.00 0.00 H new ATOM 0 HE1 PHE B 19 4.085 2.051 9.622 1.00 0.00 H new ATOM 0 HE2 PHE B 19 4.236 6.259 8.966 1.00 0.00 H new ATOM 0 HZ PHE B 19 3.722 3.993 8.152 1.00 0.00 H new ATOM 1751 N GLN B 20 5.480 6.020 16.075 1.00 0.00 N ATOM 1752 CA GLN B 20 6.218 6.168 17.325 1.00 0.00 C ATOM 1753 C GLN B 20 5.341 5.847 18.540 1.00 0.00 C ATOM 1754 O GLN B 20 5.848 5.621 19.640 1.00 0.00 O ATOM 1755 CB GLN B 20 6.785 7.588 17.429 1.00 0.00 C ATOM 1756 CG GLN B 20 7.757 7.781 18.583 1.00 0.00 C ATOM 1757 CD GLN B 20 8.424 9.142 18.563 1.00 0.00 C ATOM 1758 OE1 GLN B 20 7.917 10.104 19.134 1.00 0.00 O ATOM 1759 NE2 GLN B 20 9.573 9.233 17.909 1.00 0.00 N ATOM 0 H GLN B 20 5.187 6.900 15.650 1.00 0.00 H new ATOM 0 HA GLN B 20 7.041 5.453 17.320 1.00 0.00 H new ATOM 0 HB2 GLN B 20 7.291 7.836 16.496 1.00 0.00 H new ATOM 0 HB3 GLN B 20 5.959 8.291 17.541 1.00 0.00 H new ATOM 0 HG2 GLN B 20 7.225 7.655 19.526 1.00 0.00 H new ATOM 0 HG3 GLN B 20 8.522 7.005 18.543 1.00 0.00 H new ATOM 0 HE21 GLN B 20 9.963 8.412 17.447 1.00 0.00 H new ATOM 0 HE22 GLN B 20 10.067 10.124 17.868 1.00 0.00 H new ATOM 1768 N GLY B 21 4.031 5.805 18.336 1.00 0.00 N ATOM 1769 CA GLY B 21 3.125 5.525 19.436 1.00 0.00 C ATOM 1770 C GLY B 21 2.116 4.450 19.096 1.00 0.00 C ATOM 1771 O GLY B 21 2.132 3.370 19.691 1.00 0.00 O ATOM 0 H GLY B 21 3.580 5.959 17.434 1.00 0.00 H new ATOM 0 HA2 GLY B 21 3.702 5.215 20.308 1.00 0.00 H new ATOM 0 HA3 GLY B 21 2.599 6.439 19.711 1.00 0.00 H new ATOM 1775 N MET B 22 1.259 4.754 18.123 1.00 0.00 N ATOM 1776 CA MET B 22 0.182 3.865 17.682 1.00 0.00 C ATOM 1777 C MET B 22 -0.915 3.715 18.734 1.00 0.00 C ATOM 1778 O MET B 22 -0.719 3.998 19.915 1.00 0.00 O ATOM 1779 CB MET B 22 0.718 2.499 17.255 1.00 0.00 C ATOM 1780 CG MET B 22 1.461 2.535 15.930 1.00 0.00 C ATOM 1781 SD MET B 22 0.472 3.277 14.613 1.00 0.00 S ATOM 1782 CE MET B 22 1.571 3.085 13.211 1.00 0.00 C ATOM 0 H MET B 22 1.292 5.636 17.611 1.00 0.00 H new ATOM 0 HA MET B 22 -0.270 4.338 16.810 1.00 0.00 H new ATOM 0 HB2 MET B 22 1.386 2.120 18.029 1.00 0.00 H new ATOM 0 HB3 MET B 22 -0.113 1.797 17.179 1.00 0.00 H new ATOM 0 HG2 MET B 22 2.386 3.099 16.049 1.00 0.00 H new ATOM 0 HG3 MET B 22 1.741 1.521 15.645 1.00 0.00 H new ATOM 0 HE1 MET B 22 1.921 4.065 12.887 1.00 0.00 H new ATOM 0 HE2 MET B 22 2.425 2.471 13.499 1.00 0.00 H new ATOM 0 HE3 MET B 22 1.036 2.602 12.393 1.00 0.00 H new ATOM 1792 N THR B 23 -2.085 3.279 18.281 1.00 0.00 N ATOM 1793 CA THR B 23 -3.262 3.206 19.134 1.00 0.00 C ATOM 1794 C THR B 23 -4.265 2.212 18.558 1.00 0.00 C ATOM 1795 O THR B 23 -5.477 2.428 18.571 1.00 0.00 O ATOM 1796 CB THR B 23 -3.886 4.606 19.287 1.00 0.00 C ATOM 1797 OG1 THR B 23 -4.975 4.599 20.220 1.00 0.00 O ATOM 1798 CG2 THR B 23 -4.359 5.161 17.948 1.00 0.00 C ATOM 0 H THR B 23 -2.242 2.969 17.322 1.00 0.00 H new ATOM 0 HA THR B 23 -2.971 2.854 20.124 1.00 0.00 H new ATOM 0 HB THR B 23 -3.101 5.256 19.673 1.00 0.00 H new ATOM 0 HG1 THR B 23 -5.600 3.880 19.988 1.00 0.00 H new ATOM 0 HG21 THR B 23 -4.793 6.150 18.097 1.00 0.00 H new ATOM 0 HG22 THR B 23 -3.512 5.235 17.265 1.00 0.00 H new ATOM 0 HG23 THR B 23 -5.110 4.495 17.523 1.00 0.00 H new ATOM 1806 N ASP B 24 -3.714 1.125 18.038 1.00 0.00 N ATOM 1807 CA ASP B 24 -4.488 -0.009 17.488 1.00 0.00 C ATOM 1808 C ASP B 24 -5.008 0.274 16.075 1.00 0.00 C ATOM 1809 O ASP B 24 -5.067 -0.629 15.241 1.00 0.00 O ATOM 1810 CB ASP B 24 -5.648 -0.399 18.422 1.00 0.00 C ATOM 1811 CG ASP B 24 -6.533 -1.487 17.843 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -6.164 -2.676 17.941 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -7.612 -1.159 17.303 1.00 0.00 O ATOM 0 H ASP B 24 -2.704 0.991 17.979 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.800 -0.852 17.420 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -5.242 -0.737 19.375 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.254 0.483 18.628 1.00 0.00 H new ATOM 1818 N THR B 25 -5.349 1.534 15.797 1.00 0.00 N ATOM 1819 CA THR B 25 -5.871 1.934 14.485 1.00 0.00 C ATOM 1820 C THR B 25 -4.905 1.575 13.347 1.00 0.00 C ATOM 1821 O THR B 25 -5.297 1.514 12.182 1.00 0.00 O ATOM 1822 CB THR B 25 -6.139 3.452 14.445 1.00 0.00 C ATOM 1823 OG1 THR B 25 -6.692 3.888 15.694 1.00 0.00 O ATOM 1824 CG2 THR B 25 -7.099 3.803 13.316 1.00 0.00 C ATOM 0 H THR B 25 -5.273 2.300 16.466 1.00 0.00 H new ATOM 0 HA THR B 25 -6.802 1.385 14.340 1.00 0.00 H new ATOM 0 HB THR B 25 -5.190 3.959 14.270 1.00 0.00 H new ATOM 0 HG1 THR B 25 -6.857 4.853 15.659 1.00 0.00 H new ATOM 0 HG21 THR B 25 -7.273 4.879 13.308 1.00 0.00 H new ATOM 0 HG22 THR B 25 -6.667 3.498 12.363 1.00 0.00 H new ATOM 0 HG23 THR B 25 -8.045 3.284 13.468 1.00 0.00 H new ATOM 1832 N ALA B 26 -3.647 1.324 13.702 1.00 0.00 N ATOM 1833 CA ALA B 26 -2.614 0.980 12.729 1.00 0.00 C ATOM 1834 C ALA B 26 -3.007 -0.245 11.908 1.00 0.00 C ATOM 1835 O ALA B 26 -2.705 -0.327 10.719 1.00 0.00 O ATOM 1836 CB ALA B 26 -1.291 0.728 13.433 1.00 0.00 C ATOM 0 H ALA B 26 -3.317 1.353 14.667 1.00 0.00 H new ATOM 0 HA ALA B 26 -2.505 1.824 12.048 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.530 0.473 12.696 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.988 1.626 13.971 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.405 -0.096 14.138 1.00 0.00 H new ATOM 1842 N ALA B 27 -3.690 -1.190 12.548 1.00 0.00 N ATOM 1843 CA ALA B 27 -4.100 -2.417 11.877 1.00 0.00 C ATOM 1844 C ALA B 27 -5.136 -2.121 10.805 1.00 0.00 C ATOM 1845 O ALA B 27 -5.222 -2.818 9.795 1.00 0.00 O ATOM 1846 CB ALA B 27 -4.641 -3.420 12.886 1.00 0.00 C ATOM 0 H ALA B 27 -3.970 -1.129 13.527 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.226 -2.854 11.394 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -4.943 -4.330 12.368 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -3.866 -3.657 13.615 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -5.502 -2.992 13.399 1.00 0.00 H new ATOM 1852 N GLU B 28 -5.902 -1.064 11.024 1.00 0.00 N ATOM 1853 CA GLU B 28 -6.943 -0.670 10.097 1.00 0.00 C ATOM 1854 C GLU B 28 -6.330 0.092 8.925 1.00 0.00 C ATOM 1855 O GLU B 28 -6.568 -0.243 7.770 1.00 0.00 O ATOM 1856 CB GLU B 28 -7.987 0.190 10.821 1.00 0.00 C ATOM 1857 CG GLU B 28 -9.407 0.043 10.286 1.00 0.00 C ATOM 1858 CD GLU B 28 -9.582 0.575 8.878 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -9.878 1.779 8.730 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -9.448 -0.214 7.920 1.00 0.00 O ATOM 0 H GLU B 28 -5.819 -0.462 11.843 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.439 -1.559 9.709 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -7.982 -0.070 11.880 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.691 1.237 10.748 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -9.686 -1.010 10.305 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.093 0.567 10.951 1.00 0.00 H new ATOM 1867 N ASP B 29 -5.500 1.087 9.230 1.00 0.00 N ATOM 1868 CA ASP B 29 -4.917 1.944 8.194 1.00 0.00 C ATOM 1869 C ASP B 29 -4.032 1.155 7.231 1.00 0.00 C ATOM 1870 O ASP B 29 -4.051 1.399 6.021 1.00 0.00 O ATOM 1871 CB ASP B 29 -4.116 3.098 8.808 1.00 0.00 C ATOM 1872 CG ASP B 29 -5.000 4.230 9.308 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -5.867 4.698 8.532 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -4.814 4.667 10.467 1.00 0.00 O ATOM 0 H ASP B 29 -5.215 1.321 10.181 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.752 2.357 7.628 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -3.517 2.718 9.636 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.421 3.488 8.064 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.259 0.208 7.754 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.408 -0.619 6.905 1.00 0.00 C ATOM 1881 C VAL B 30 -3.259 -1.557 6.050 1.00 0.00 C ATOM 1882 O VAL B 30 -2.995 -1.747 4.861 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.389 -1.437 7.729 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -0.558 -2.340 6.827 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -0.483 -0.511 8.526 1.00 0.00 C ATOM 0 H VAL B 30 -3.204 -0.004 8.750 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.847 0.054 6.256 1.00 0.00 H new ATOM 0 HB VAL B 30 -1.945 -2.067 8.424 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.151 -2.905 7.432 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -1.215 -3.031 6.299 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.015 -1.732 6.104 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.229 -1.104 9.101 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.058 0.144 7.844 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.086 0.091 9.206 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.290 -2.129 6.660 1.00 0.00 N ATOM 1896 CA ARG B 31 -5.247 -2.966 5.941 1.00 0.00 C ATOM 1897 C ARG B 31 -5.961 -2.143 4.871 1.00 0.00 C ATOM 1898 O ARG B 31 -6.227 -2.624 3.769 1.00 0.00 O ATOM 1899 CB ARG B 31 -6.242 -3.580 6.944 1.00 0.00 C ATOM 1900 CG ARG B 31 -7.527 -4.134 6.338 1.00 0.00 C ATOM 1901 CD ARG B 31 -8.635 -3.086 6.323 1.00 0.00 C ATOM 1902 NE ARG B 31 -9.934 -3.669 5.995 1.00 0.00 N ATOM 1903 CZ ARG B 31 -11.100 -3.154 6.383 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -11.150 -1.997 7.040 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -12.225 -3.797 6.098 1.00 0.00 N ATOM 0 H ARG B 31 -4.487 -2.029 7.656 1.00 0.00 H new ATOM 0 HA ARG B 31 -4.725 -3.779 5.437 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -5.739 -4.383 7.483 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -6.506 -2.820 7.679 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -7.333 -4.475 5.321 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -7.854 -5.003 6.909 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -8.690 -2.603 7.298 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.391 -2.311 5.596 1.00 0.00 H new ATOM 0 HE ARG B 31 -9.949 -4.522 5.435 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -10.289 -1.493 7.252 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.050 -1.614 7.331 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -12.193 -4.678 5.586 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -13.122 -3.410 6.391 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.245 -0.900 5.214 1.00 0.00 N ATOM 1920 CA LYS B 32 -6.918 0.042 4.332 1.00 0.00 C ATOM 1921 C LYS B 32 -6.150 0.226 3.027 1.00 0.00 C ATOM 1922 O LYS B 32 -6.693 0.015 1.940 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.037 1.374 5.067 1.00 0.00 C ATOM 1924 CG LYS B 32 -7.833 2.448 4.350 1.00 0.00 C ATOM 1925 CD LYS B 32 -7.907 3.702 5.206 1.00 0.00 C ATOM 1926 CE LYS B 32 -8.429 3.370 6.595 1.00 0.00 C ATOM 1927 NZ LYS B 32 -8.356 4.525 7.526 1.00 0.00 N ATOM 0 H LYS B 32 -6.012 -0.508 6.127 1.00 0.00 H new ATOM 0 HA LYS B 32 -7.905 -0.343 4.074 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -7.497 1.193 6.038 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -6.034 1.755 5.256 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -7.367 2.679 3.392 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -8.838 2.085 4.136 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -6.919 4.156 5.282 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -8.560 4.435 4.732 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.463 3.034 6.519 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -7.854 2.540 7.006 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -8.786 4.265 8.437 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -7.361 4.788 7.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -8.870 5.332 7.119 1.00 0.00 H new ATOM 1941 N ILE B 33 -4.878 0.599 3.135 1.00 0.00 N ATOM 1942 CA ILE B 33 -4.059 0.839 1.954 1.00 0.00 C ATOM 1943 C ILE B 33 -3.765 -0.462 1.206 1.00 0.00 C ATOM 1944 O ILE B 33 -3.672 -0.473 -0.017 1.00 0.00 O ATOM 1945 CB ILE B 33 -2.735 1.562 2.298 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -1.926 0.763 3.322 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.016 2.969 2.811 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -0.572 1.365 3.639 1.00 0.00 C ATOM 0 H ILE B 33 -4.396 0.741 4.023 1.00 0.00 H new ATOM 0 HA ILE B 33 -4.640 1.494 1.304 1.00 0.00 H new ATOM 0 HB ILE B 33 -2.141 1.639 1.387 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -2.502 0.684 4.244 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -1.783 -0.250 2.947 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -2.075 3.464 3.049 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -3.542 3.538 2.044 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -3.633 2.913 3.708 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.059 0.742 4.372 1.00 0.00 H new ATOM 0 HD12 ILE B 33 0.024 1.419 2.728 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.706 2.368 4.045 1.00 0.00 H new ATOM 1960 N ALA B 34 -3.644 -1.560 1.942 1.00 0.00 N ATOM 1961 CA ALA B 34 -3.393 -2.862 1.334 1.00 0.00 C ATOM 1962 C ALA B 34 -4.581 -3.306 0.487 1.00 0.00 C ATOM 1963 O ALA B 34 -4.412 -3.771 -0.638 1.00 0.00 O ATOM 1964 CB ALA B 34 -3.092 -3.895 2.406 1.00 0.00 C ATOM 0 H ALA B 34 -3.715 -1.576 2.959 1.00 0.00 H new ATOM 0 HA ALA B 34 -2.525 -2.771 0.680 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -2.907 -4.862 1.938 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -2.210 -3.589 2.968 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -3.943 -3.976 3.082 1.00 0.00 H new ATOM 1970 N THR B 35 -5.784 -3.135 1.030 1.00 0.00 N ATOM 1971 CA THR B 35 -7.013 -3.524 0.343 1.00 0.00 C ATOM 1972 C THR B 35 -7.156 -2.807 -1.002 1.00 0.00 C ATOM 1973 O THR B 35 -7.765 -3.335 -1.933 1.00 0.00 O ATOM 1974 CB THR B 35 -8.254 -3.245 1.221 1.00 0.00 C ATOM 1975 OG1 THR B 35 -8.129 -3.938 2.469 1.00 0.00 O ATOM 1976 CG2 THR B 35 -9.540 -3.686 0.533 1.00 0.00 C ATOM 0 H THR B 35 -5.934 -2.726 1.952 1.00 0.00 H new ATOM 0 HA THR B 35 -6.949 -4.596 0.156 1.00 0.00 H new ATOM 0 HB THR B 35 -8.306 -2.169 1.389 1.00 0.00 H new ATOM 0 HG1 THR B 35 -7.694 -3.354 3.125 1.00 0.00 H new ATOM 0 HG21 THR B 35 -10.390 -3.474 1.181 1.00 0.00 H new ATOM 0 HG22 THR B 35 -9.655 -3.144 -0.406 1.00 0.00 H new ATOM 0 HG23 THR B 35 -9.496 -4.756 0.331 1.00 0.00 H new ATOM 1984 N ALA B 36 -6.589 -1.607 -1.094 1.00 0.00 N ATOM 1985 CA ALA B 36 -6.664 -0.802 -2.309 1.00 0.00 C ATOM 1986 C ALA B 36 -6.246 -1.594 -3.550 1.00 0.00 C ATOM 1987 O ALA B 36 -6.908 -1.529 -4.588 1.00 0.00 O ATOM 1988 CB ALA B 36 -5.799 0.441 -2.166 1.00 0.00 C ATOM 0 H ALA B 36 -6.068 -1.168 -0.334 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.705 -0.508 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -5.862 1.035 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -6.151 1.034 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -4.764 0.146 -1.996 1.00 0.00 H new ATOM 1994 N LEU B 37 -5.165 -2.361 -3.436 1.00 0.00 N ATOM 1995 CA LEU B 37 -4.657 -3.119 -4.569 1.00 0.00 C ATOM 1996 C LEU B 37 -5.504 -4.372 -4.809 1.00 0.00 C ATOM 1997 O LEU B 37 -5.559 -4.890 -5.925 1.00 0.00 O ATOM 1998 CB LEU B 37 -3.173 -3.466 -4.366 1.00 0.00 C ATOM 1999 CG LEU B 37 -2.842 -4.456 -3.244 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -2.754 -5.879 -3.788 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -1.539 -4.066 -2.564 1.00 0.00 C ATOM 0 H LEU B 37 -4.629 -2.472 -2.575 1.00 0.00 H new ATOM 0 HA LEU B 37 -4.732 -2.499 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.788 -3.872 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -2.631 -2.540 -4.173 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.644 -4.421 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.518 -6.565 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.709 -6.158 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -1.972 -5.931 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.316 -4.778 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.731 -4.074 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.635 -3.067 -2.140 1.00 0.00 H new ATOM 2013 N LEU B 38 -6.170 -4.846 -3.757 1.00 0.00 N ATOM 2014 CA LEU B 38 -7.074 -5.991 -3.871 1.00 0.00 C ATOM 2015 C LEU B 38 -8.353 -5.593 -4.597 1.00 0.00 C ATOM 2016 O LEU B 38 -8.961 -6.405 -5.297 1.00 0.00 O ATOM 2017 CB LEU B 38 -7.435 -6.568 -2.494 1.00 0.00 C ATOM 2018 CG LEU B 38 -6.393 -7.492 -1.853 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -5.172 -6.713 -1.396 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -7.006 -8.246 -0.684 1.00 0.00 C ATOM 0 H LEU B 38 -6.101 -4.456 -2.817 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.550 -6.757 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.622 -5.738 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.370 -7.120 -2.588 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.070 -8.209 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.452 -7.396 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -4.715 -6.217 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.471 -5.966 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -6.255 -8.898 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -7.359 -7.535 0.063 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.844 -8.846 -1.038 1.00 0.00 H new ATOM 2032 N LYS B 39 -8.764 -4.344 -4.412 1.00 0.00 N ATOM 2033 CA LYS B 39 -9.957 -3.820 -5.054 1.00 0.00 C ATOM 2034 C LYS B 39 -9.793 -3.813 -6.567 1.00 0.00 C ATOM 2035 O LYS B 39 -10.577 -4.429 -7.292 1.00 0.00 O ATOM 2036 CB LYS B 39 -10.237 -2.404 -4.556 1.00 0.00 C ATOM 2037 CG LYS B 39 -10.616 -2.330 -3.085 1.00 0.00 C ATOM 2038 CD LYS B 39 -10.826 -0.893 -2.632 1.00 0.00 C ATOM 2039 CE LYS B 39 -11.910 -0.196 -3.444 1.00 0.00 C ATOM 2040 NZ LYS B 39 -13.218 -0.897 -3.348 1.00 0.00 N ATOM 0 H LYS B 39 -8.281 -3.672 -3.816 1.00 0.00 H new ATOM 0 HA LYS B 39 -10.798 -4.464 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -9.353 -1.789 -4.724 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -11.043 -1.973 -5.150 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -11.528 -2.903 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -9.833 -2.791 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -11.098 -0.881 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -9.890 -0.342 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -12.022 0.830 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -11.603 -0.144 -4.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -13.958 -0.312 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -13.160 -1.810 -3.843 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -13.452 -1.060 -2.348 1.00 0.00 H new ATOM 2054 N THR B 40 -8.761 -3.114 -7.030 1.00 0.00 N ATOM 2055 CA THR B 40 -8.440 -3.057 -8.446 1.00 0.00 C ATOM 2056 C THR B 40 -7.159 -2.265 -8.683 1.00 0.00 C ATOM 2057 O THR B 40 -7.171 -1.055 -8.907 1.00 0.00 O ATOM 2058 CB THR B 40 -9.604 -2.492 -9.299 1.00 0.00 C ATOM 2059 OG1 THR B 40 -9.188 -2.299 -10.659 1.00 0.00 O ATOM 2060 CG2 THR B 40 -10.145 -1.185 -8.734 1.00 0.00 C ATOM 0 H THR B 40 -8.130 -2.576 -6.436 1.00 0.00 H new ATOM 0 HA THR B 40 -8.280 -4.084 -8.773 1.00 0.00 H new ATOM 0 HB THR B 40 -10.408 -3.228 -9.268 1.00 0.00 H new ATOM 0 HG1 THR B 40 -9.936 -1.943 -11.183 1.00 0.00 H new ATOM 0 HG21 THR B 40 -10.959 -0.826 -9.364 1.00 0.00 H new ATOM 0 HG22 THR B 40 -10.515 -1.351 -7.722 1.00 0.00 H new ATOM 0 HG23 THR B 40 -9.349 -0.441 -8.711 1.00 0.00 H new ATOM 2068 N ALA B 41 -6.049 -2.962 -8.573 1.00 0.00 N ATOM 2069 CA ALA B 41 -4.756 -2.399 -8.922 1.00 0.00 C ATOM 2070 C ALA B 41 -4.388 -2.830 -10.331 1.00 0.00 C ATOM 2071 O ALA B 41 -3.678 -2.136 -11.051 1.00 0.00 O ATOM 2072 CB ALA B 41 -3.695 -2.843 -7.930 1.00 0.00 C ATOM 0 H ALA B 41 -6.013 -3.926 -8.243 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.813 -1.311 -8.883 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.734 -2.411 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -3.968 -2.506 -6.930 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.621 -3.930 -7.939 1.00 0.00 H new ATOM 2078 N ILE B 42 -4.904 -3.982 -10.719 1.00 0.00 N ATOM 2079 CA ILE B 42 -4.696 -4.504 -12.056 1.00 0.00 C ATOM 2080 C ILE B 42 -5.783 -3.943 -12.971 1.00 0.00 C ATOM 2081 O ILE B 42 -6.846 -3.542 -12.490 1.00 0.00 O ATOM 2082 CB ILE B 42 -4.740 -6.048 -12.052 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -4.028 -6.597 -10.810 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -4.082 -6.595 -13.306 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -4.091 -8.106 -10.689 1.00 0.00 C ATOM 0 H ILE B 42 -5.475 -4.578 -10.120 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.714 -4.201 -12.418 1.00 0.00 H new ATOM 0 HB ILE B 42 -5.783 -6.365 -12.031 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.983 -6.287 -10.834 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -4.473 -6.151 -9.920 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.120 -7.684 -13.291 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -4.611 -6.226 -14.185 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.043 -6.268 -13.344 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -3.566 -8.421 -9.787 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -5.132 -8.423 -10.633 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.620 -8.561 -11.560 1.00 0.00 H new ATOM 2097 N GLU B 43 -5.529 -3.879 -14.271 1.00 0.00 N ATOM 2098 CA GLU B 43 -6.481 -3.254 -15.178 1.00 0.00 C ATOM 2099 C GLU B 43 -6.789 -4.144 -16.376 1.00 0.00 C ATOM 2100 O GLU B 43 -5.926 -4.877 -16.860 1.00 0.00 O ATOM 2101 CB GLU B 43 -5.954 -1.896 -15.650 1.00 0.00 C ATOM 2102 CG GLU B 43 -6.997 -1.059 -16.372 1.00 0.00 C ATOM 2103 CD GLU B 43 -8.258 -0.886 -15.548 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -8.306 0.040 -14.717 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -9.197 -1.696 -15.711 1.00 0.00 O ATOM 0 H GLU B 43 -4.687 -4.245 -14.715 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.410 -3.106 -14.628 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.585 -1.339 -14.789 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.104 -2.056 -16.314 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -6.578 -0.080 -16.604 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.247 -1.532 -17.322 1.00 0.00 H new ATOM 2112 N ILE B 44 -8.027 -4.061 -16.847 1.00 0.00 N ATOM 2113 CA ILE B 44 -8.478 -4.836 -17.990 1.00 0.00 C ATOM 2114 C ILE B 44 -8.447 -3.999 -19.265 1.00 0.00 C ATOM 2115 O ILE B 44 -9.144 -2.983 -19.378 1.00 0.00 O ATOM 2116 CB ILE B 44 -9.917 -5.377 -17.777 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -9.911 -6.579 -16.833 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -10.572 -5.755 -19.103 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -9.336 -7.829 -17.463 1.00 0.00 C ATOM 0 H ILE B 44 -8.743 -3.455 -16.447 1.00 0.00 H new ATOM 0 HA ILE B 44 -7.793 -5.678 -18.091 1.00 0.00 H new ATOM 0 HB ILE B 44 -10.503 -4.577 -17.324 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -9.334 -6.330 -15.942 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -10.931 -6.781 -16.506 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -11.579 -6.130 -18.918 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -10.625 -4.877 -19.746 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -9.981 -6.529 -19.593 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -9.361 -8.645 -16.741 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -9.927 -8.101 -18.338 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -8.305 -7.643 -17.765 1.00 0.00 H new ATOM 2131 N VAL B 45 -7.630 -4.421 -20.213 1.00 0.00 N ATOM 2132 CA VAL B 45 -7.671 -3.866 -21.551 1.00 0.00 C ATOM 2133 C VAL B 45 -8.461 -4.807 -22.454 1.00 0.00 C ATOM 2134 O VAL B 45 -8.118 -5.983 -22.600 1.00 0.00 O ATOM 2135 CB VAL B 45 -6.260 -3.610 -22.131 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -5.577 -2.478 -21.378 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -5.402 -4.865 -22.085 1.00 0.00 C ATOM 0 H VAL B 45 -6.928 -5.149 -20.079 1.00 0.00 H new ATOM 0 HA VAL B 45 -8.163 -2.894 -21.500 1.00 0.00 H new ATOM 0 HB VAL B 45 -6.377 -3.324 -23.176 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -4.585 -2.309 -21.797 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -6.170 -1.569 -21.472 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -5.486 -2.745 -20.325 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -4.418 -4.648 -22.500 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -5.295 -5.195 -21.052 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -5.877 -5.652 -22.670 1.00 0.00 H new ATOM 2147 N SER B 46 -9.538 -4.302 -23.027 1.00 0.00 N ATOM 2148 CA SER B 46 -10.455 -5.141 -23.782 1.00 0.00 C ATOM 2149 C SER B 46 -10.135 -5.107 -25.275 1.00 0.00 C ATOM 2150 O SER B 46 -9.776 -4.059 -25.824 1.00 0.00 O ATOM 2151 CB SER B 46 -11.894 -4.695 -23.521 1.00 0.00 C ATOM 2152 OG SER B 46 -12.206 -4.773 -22.138 1.00 0.00 O ATOM 0 H SER B 46 -9.800 -3.317 -22.985 1.00 0.00 H new ATOM 0 HA SER B 46 -10.338 -6.172 -23.449 1.00 0.00 H new ATOM 0 HB2 SER B 46 -12.031 -3.672 -23.872 1.00 0.00 H new ATOM 0 HB3 SER B 46 -12.582 -5.322 -24.089 1.00 0.00 H new ATOM 0 HG SER B 46 -13.131 -4.481 -21.994 1.00 0.00 H new ATOM 2158 N GLU B 47 -10.261 -6.260 -25.918 1.00 0.00 N ATOM 2159 CA GLU B 47 -9.934 -6.395 -27.330 1.00 0.00 C ATOM 2160 C GLU B 47 -11.180 -6.316 -28.205 1.00 0.00 C ATOM 2161 O GLU B 47 -12.302 -6.527 -27.738 1.00 0.00 O ATOM 2162 CB GLU B 47 -9.197 -7.713 -27.583 1.00 0.00 C ATOM 2163 CG GLU B 47 -7.690 -7.549 -27.706 1.00 0.00 C ATOM 2164 CD GLU B 47 -7.283 -6.851 -28.989 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -8.152 -6.240 -29.646 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -6.090 -6.914 -29.353 1.00 0.00 O ATOM 0 H GLU B 47 -10.590 -7.121 -25.480 1.00 0.00 H new ATOM 0 HA GLU B 47 -9.283 -5.563 -27.598 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.414 -8.404 -26.769 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -9.581 -8.166 -28.497 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -7.319 -6.980 -26.854 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -7.217 -8.530 -27.664 1.00 0.00 H new ATOM 2173 N GLU B 48 -10.958 -6.028 -29.479 1.00 0.00 N ATOM 2174 CA GLU B 48 -12.034 -5.861 -30.449 1.00 0.00 C ATOM 2175 C GLU B 48 -12.627 -7.214 -30.831 1.00 0.00 C ATOM 2176 O GLU B 48 -13.843 -7.361 -30.968 1.00 0.00 O ATOM 2177 CB GLU B 48 -11.481 -5.173 -31.699 1.00 0.00 C ATOM 2178 CG GLU B 48 -12.540 -4.654 -32.657 1.00 0.00 C ATOM 2179 CD GLU B 48 -13.170 -3.365 -32.178 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -12.450 -2.348 -32.088 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -14.386 -3.354 -31.900 1.00 0.00 O ATOM 0 H GLU B 48 -10.025 -5.903 -29.872 1.00 0.00 H new ATOM 0 HA GLU B 48 -12.820 -5.251 -30.004 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -10.850 -4.340 -31.390 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -10.841 -5.877 -32.232 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -12.092 -4.493 -33.637 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -13.315 -5.410 -32.781 1.00 0.00 H new ATOM 2188 N ASP B 49 -11.747 -8.193 -30.996 1.00 0.00 N ATOM 2189 CA ASP B 49 -12.131 -9.538 -31.430 1.00 0.00 C ATOM 2190 C ASP B 49 -13.164 -10.170 -30.499 1.00 0.00 C ATOM 2191 O ASP B 49 -14.208 -10.653 -30.946 1.00 0.00 O ATOM 2192 CB ASP B 49 -10.893 -10.433 -31.512 1.00 0.00 C ATOM 2193 CG ASP B 49 -11.230 -11.852 -31.919 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -11.676 -12.054 -33.067 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -11.045 -12.774 -31.095 1.00 0.00 O ATOM 0 H ASP B 49 -10.746 -8.081 -30.834 1.00 0.00 H new ATOM 0 HA ASP B 49 -12.588 -9.445 -32.415 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -10.190 -10.010 -32.229 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -10.393 -10.445 -30.544 1.00 0.00 H new ATOM 2200 N GLY B 50 -12.870 -10.172 -29.212 1.00 0.00 N ATOM 2201 CA GLY B 50 -13.770 -10.769 -28.250 1.00 0.00 C ATOM 2202 C GLY B 50 -13.027 -11.348 -27.074 1.00 0.00 C ATOM 2203 O GLY B 50 -12.935 -12.567 -26.922 1.00 0.00 O ATOM 0 H GLY B 50 -12.022 -9.770 -28.813 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -14.477 -10.018 -27.899 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -14.352 -11.553 -28.734 1.00 0.00 H new ATOM 2207 N GLY B 51 -12.478 -10.469 -26.254 1.00 0.00 N ATOM 2208 CA GLY B 51 -11.746 -10.886 -25.092 1.00 0.00 C ATOM 2209 C GLY B 51 -11.131 -9.699 -24.394 1.00 0.00 C ATOM 2210 O GLY B 51 -11.351 -8.556 -24.795 1.00 0.00 O ATOM 0 H GLY B 51 -12.531 -9.458 -26.381 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -12.411 -11.412 -24.407 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -10.965 -11.589 -25.381 1.00 0.00 H new ATOM 2214 N ALA B 52 -10.350 -9.963 -23.370 1.00 0.00 N ATOM 2215 CA ALA B 52 -9.726 -8.908 -22.596 1.00 0.00 C ATOM 2216 C ALA B 52 -8.412 -9.389 -22.000 1.00 0.00 C ATOM 2217 O ALA B 52 -8.086 -10.575 -22.076 1.00 0.00 O ATOM 2218 CB ALA B 52 -10.665 -8.422 -21.504 1.00 0.00 C ATOM 0 H ALA B 52 -10.130 -10.906 -23.051 1.00 0.00 H new ATOM 0 HA ALA B 52 -9.513 -8.072 -23.262 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -10.180 -7.630 -20.933 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -11.579 -8.036 -21.955 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -10.910 -9.251 -20.840 1.00 0.00 H new ATOM 2224 N HIS B 53 -7.657 -8.470 -21.420 1.00 0.00 N ATOM 2225 CA HIS B 53 -6.362 -8.797 -20.835 1.00 0.00 C ATOM 2226 C HIS B 53 -6.207 -8.088 -19.502 1.00 0.00 C ATOM 2227 O HIS B 53 -6.577 -6.922 -19.373 1.00 0.00 O ATOM 2228 CB HIS B 53 -5.219 -8.402 -21.778 1.00 0.00 C ATOM 2229 CG HIS B 53 -5.182 -9.209 -23.037 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -4.468 -10.380 -23.157 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -5.806 -9.026 -24.223 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -4.659 -10.884 -24.360 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -5.466 -10.082 -25.026 1.00 0.00 N ATOM 0 H HIS B 53 -7.918 -7.487 -21.340 1.00 0.00 H new ATOM 0 HA HIS B 53 -6.316 -9.875 -20.678 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -5.317 -7.347 -22.034 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -4.270 -8.516 -21.254 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -6.452 -8.201 -24.487 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -4.227 -11.800 -24.737 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -5.785 -10.225 -25.984 1.00 0.00 H new ATOM 2242 N ASN B 54 -5.690 -8.795 -18.513 1.00 0.00 N ATOM 2243 CA ASN B 54 -5.495 -8.225 -17.190 1.00 0.00 C ATOM 2244 C ASN B 54 -4.006 -8.232 -16.857 1.00 0.00 C ATOM 2245 O ASN B 54 -3.432 -9.286 -16.574 1.00 0.00 O ATOM 2246 CB ASN B 54 -6.281 -9.047 -16.161 1.00 0.00 C ATOM 2247 CG ASN B 54 -6.517 -8.315 -14.857 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -6.687 -7.099 -14.832 1.00 0.00 O ATOM 2249 ND2 ASN B 54 -6.533 -9.055 -13.761 1.00 0.00 N ATOM 0 H ASN B 54 -5.397 -9.768 -18.601 1.00 0.00 H new ATOM 0 HA ASN B 54 -5.858 -7.197 -17.167 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -7.243 -9.328 -16.590 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -5.741 -9.972 -15.957 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -6.691 -8.618 -12.853 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -6.388 -10.063 -13.824 1.00 0.00 H new ATOM 2256 N GLN B 55 -3.376 -7.065 -16.913 1.00 0.00 N ATOM 2257 CA GLN B 55 -1.933 -6.973 -16.716 1.00 0.00 C ATOM 2258 C GLN B 55 -1.586 -6.205 -15.450 1.00 0.00 C ATOM 2259 O GLN B 55 -2.046 -5.082 -15.242 1.00 0.00 O ATOM 2260 CB GLN B 55 -1.244 -6.291 -17.908 1.00 0.00 C ATOM 2261 CG GLN B 55 -1.329 -7.060 -19.216 1.00 0.00 C ATOM 2262 CD GLN B 55 -2.460 -6.593 -20.107 1.00 0.00 C ATOM 2263 OE1 GLN B 55 -3.500 -6.140 -19.638 1.00 0.00 O ATOM 2264 NE2 GLN B 55 -2.256 -6.691 -21.411 1.00 0.00 N ATOM 0 H GLN B 55 -3.838 -6.173 -17.092 1.00 0.00 H new ATOM 0 HA GLN B 55 -1.572 -7.997 -16.625 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -1.688 -5.306 -18.052 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -0.194 -6.134 -17.662 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -0.386 -6.958 -19.753 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -1.459 -8.120 -18.999 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -1.378 -7.073 -21.763 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -2.977 -6.384 -22.064 1.00 0.00 H new ATOM 2273 N CYS B 56 -0.765 -6.817 -14.609 1.00 0.00 N ATOM 2274 CA CYS B 56 -0.231 -6.141 -13.443 1.00 0.00 C ATOM 2275 C CYS B 56 1.030 -5.390 -13.852 1.00 0.00 C ATOM 2276 O CYS B 56 2.039 -6.005 -14.197 1.00 0.00 O ATOM 2277 CB CYS B 56 0.083 -7.147 -12.332 1.00 0.00 C ATOM 2278 SG CYS B 56 0.769 -6.404 -10.831 1.00 0.00 S ATOM 0 H CYS B 56 -0.455 -7.783 -14.716 1.00 0.00 H new ATOM 0 HA CYS B 56 -0.970 -5.439 -13.057 1.00 0.00 H new ATOM 0 HB2 CYS B 56 -0.830 -7.683 -12.074 1.00 0.00 H new ATOM 0 HB3 CYS B 56 0.789 -7.885 -12.714 1.00 0.00 H new ATOM 0 HG CYS B 56 0.998 -7.334 -9.952 1.00 0.00 H new ATOM 2284 N LYS B 57 0.973 -4.066 -13.815 1.00 0.00 N ATOM 2285 CA LYS B 57 2.040 -3.246 -14.368 1.00 0.00 C ATOM 2286 C LYS B 57 3.257 -3.237 -13.448 1.00 0.00 C ATOM 2287 O LYS B 57 4.375 -2.969 -13.884 1.00 0.00 O ATOM 2288 CB LYS B 57 1.535 -1.817 -14.595 1.00 0.00 C ATOM 2289 CG LYS B 57 2.480 -0.931 -15.402 1.00 0.00 C ATOM 2290 CD LYS B 57 2.501 -1.294 -16.885 1.00 0.00 C ATOM 2291 CE LYS B 57 3.304 -2.558 -17.168 1.00 0.00 C ATOM 2292 NZ LYS B 57 3.348 -2.875 -18.622 1.00 0.00 N ATOM 0 H LYS B 57 0.201 -3.538 -13.409 1.00 0.00 H new ATOM 0 HA LYS B 57 2.343 -3.675 -15.323 1.00 0.00 H new ATOM 0 HB2 LYS B 57 0.574 -1.862 -15.107 1.00 0.00 H new ATOM 0 HB3 LYS B 57 1.358 -1.350 -13.626 1.00 0.00 H new ATOM 0 HG2 LYS B 57 2.179 0.111 -15.291 1.00 0.00 H new ATOM 0 HG3 LYS B 57 3.488 -1.017 -14.996 1.00 0.00 H new ATOM 0 HD2 LYS B 57 1.478 -1.432 -17.236 1.00 0.00 H new ATOM 0 HD3 LYS B 57 2.924 -0.465 -17.452 1.00 0.00 H new ATOM 0 HE2 LYS B 57 4.320 -2.434 -16.793 1.00 0.00 H new ATOM 0 HE3 LYS B 57 2.864 -3.396 -16.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 3.903 -3.741 -18.772 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 2.380 -3.019 -18.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 3.791 -2.087 -19.136 1.00 0.00 H new ATOM 2306 N LEU B 58 3.034 -3.558 -12.183 1.00 0.00 N ATOM 2307 CA LEU B 58 4.097 -3.512 -11.193 1.00 0.00 C ATOM 2308 C LEU B 58 4.908 -4.803 -11.201 1.00 0.00 C ATOM 2309 O LEU B 58 6.050 -4.831 -10.743 1.00 0.00 O ATOM 2310 CB LEU B 58 3.512 -3.281 -9.800 1.00 0.00 C ATOM 2311 CG LEU B 58 4.425 -2.519 -8.852 1.00 0.00 C ATOM 2312 CD1 LEU B 58 4.584 -1.087 -9.335 1.00 0.00 C ATOM 2313 CD2 LEU B 58 3.873 -2.559 -7.439 1.00 0.00 C ATOM 0 H LEU B 58 2.128 -3.853 -11.819 1.00 0.00 H new ATOM 0 HA LEU B 58 4.759 -2.685 -11.449 1.00 0.00 H new ATOM 0 HB2 LEU B 58 2.574 -2.734 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU B 58 3.272 -4.247 -9.356 1.00 0.00 H new ATOM 0 HG LEU B 58 5.407 -2.993 -8.841 1.00 0.00 H new ATOM 0 HD11 LEU B 58 5.239 -0.544 -8.654 1.00 0.00 H new ATOM 0 HD12 LEU B 58 5.019 -1.086 -10.334 1.00 0.00 H new ATOM 0 HD13 LEU B 58 3.608 -0.602 -9.364 1.00 0.00 H new ATOM 0 HD21 LEU B 58 4.538 -2.009 -6.773 1.00 0.00 H new ATOM 0 HD22 LEU B 58 2.883 -2.102 -7.422 1.00 0.00 H new ATOM 0 HD23 LEU B 58 3.801 -3.594 -7.106 1.00 0.00 H new ATOM 2325 N CYS B 59 4.310 -5.869 -11.716 1.00 0.00 N ATOM 2326 CA CYS B 59 4.968 -7.171 -11.744 1.00 0.00 C ATOM 2327 C CYS B 59 5.310 -7.585 -13.173 1.00 0.00 C ATOM 2328 O CYS B 59 6.286 -8.298 -13.408 1.00 0.00 O ATOM 2329 CB CYS B 59 4.068 -8.225 -11.093 1.00 0.00 C ATOM 2330 SG CYS B 59 4.777 -9.891 -11.049 1.00 0.00 S ATOM 0 H CYS B 59 3.373 -5.859 -12.119 1.00 0.00 H new ATOM 0 HA CYS B 59 5.899 -7.094 -11.182 1.00 0.00 H new ATOM 0 HB2 CYS B 59 3.842 -7.913 -10.073 1.00 0.00 H new ATOM 0 HB3 CYS B 59 3.122 -8.260 -11.633 1.00 0.00 H new ATOM 0 HG CYS B 59 5.675 -10.005 -11.982 1.00 0.00 H new ATOM 2336 N GLY B 60 4.503 -7.136 -14.126 1.00 0.00 N ATOM 2337 CA GLY B 60 4.698 -7.527 -15.508 1.00 0.00 C ATOM 2338 C GLY B 60 3.959 -8.808 -15.835 1.00 0.00 C ATOM 2339 O GLY B 60 4.110 -9.365 -16.922 1.00 0.00 O ATOM 0 H GLY B 60 3.716 -6.507 -13.966 1.00 0.00 H new ATOM 0 HA2 GLY B 60 4.352 -6.729 -16.165 1.00 0.00 H new ATOM 0 HA3 GLY B 60 5.762 -7.661 -15.702 1.00 0.00 H new ATOM 2343 N ALA B 61 3.160 -9.273 -14.883 1.00 0.00 N ATOM 2344 CA ALA B 61 2.392 -10.495 -15.050 1.00 0.00 C ATOM 2345 C ALA B 61 1.075 -10.203 -15.757 1.00 0.00 C ATOM 2346 O ALA B 61 0.416 -9.200 -15.470 1.00 0.00 O ATOM 2347 CB ALA B 61 2.137 -11.146 -13.699 1.00 0.00 C ATOM 0 H ALA B 61 3.028 -8.816 -13.981 1.00 0.00 H new ATOM 0 HA ALA B 61 2.968 -11.186 -15.666 1.00 0.00 H new ATOM 0 HB1 ALA B 61 1.561 -12.061 -13.839 1.00 0.00 H new ATOM 0 HB2 ALA B 61 3.089 -11.386 -13.225 1.00 0.00 H new ATOM 0 HB3 ALA B 61 1.578 -10.459 -13.064 1.00 0.00 H new ATOM 2353 N SER B 62 0.697 -11.077 -16.674 1.00 0.00 N ATOM 2354 CA SER B 62 -0.524 -10.896 -17.440 1.00 0.00 C ATOM 2355 C SER B 62 -1.393 -12.145 -17.362 1.00 0.00 C ATOM 2356 O SER B 62 -0.903 -13.267 -17.508 1.00 0.00 O ATOM 2357 CB SER B 62 -0.188 -10.577 -18.901 1.00 0.00 C ATOM 2358 OG SER B 62 -1.360 -10.316 -19.658 1.00 0.00 O ATOM 0 H SER B 62 1.220 -11.921 -16.907 1.00 0.00 H new ATOM 0 HA SER B 62 -1.080 -10.060 -17.015 1.00 0.00 H new ATOM 0 HB2 SER B 62 0.474 -9.712 -18.943 1.00 0.00 H new ATOM 0 HB3 SER B 62 0.353 -11.414 -19.342 1.00 0.00 H new ATOM 0 HG SER B 62 -1.113 -10.114 -20.585 1.00 0.00 H new ATOM 2364 N VAL B 63 -2.675 -11.944 -17.111 1.00 0.00 N ATOM 2365 CA VAL B 63 -3.640 -13.028 -17.122 1.00 0.00 C ATOM 2366 C VAL B 63 -4.827 -12.637 -18.007 1.00 0.00 C ATOM 2367 O VAL B 63 -5.454 -11.598 -17.800 1.00 0.00 O ATOM 2368 CB VAL B 63 -4.099 -13.406 -15.686 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -4.616 -12.198 -14.918 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -5.149 -14.502 -15.723 1.00 0.00 C ATOM 0 H VAL B 63 -3.074 -11.030 -16.895 1.00 0.00 H new ATOM 0 HA VAL B 63 -3.165 -13.917 -17.536 1.00 0.00 H new ATOM 0 HB VAL B 63 -3.223 -13.781 -15.158 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -4.926 -12.507 -13.920 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -3.825 -11.452 -14.838 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -5.467 -11.768 -15.446 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -5.454 -14.748 -14.706 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -6.015 -14.157 -16.288 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -4.733 -15.388 -16.202 1.00 0.00 H new ATOM 2380 N PRO B 64 -5.121 -13.438 -19.044 1.00 0.00 N ATOM 2381 CA PRO B 64 -6.142 -13.091 -20.034 1.00 0.00 C ATOM 2382 C PRO B 64 -7.572 -13.192 -19.499 1.00 0.00 C ATOM 2383 O PRO B 64 -8.182 -14.261 -19.527 1.00 0.00 O ATOM 2384 CB PRO B 64 -5.909 -14.109 -21.155 1.00 0.00 C ATOM 2385 CG PRO B 64 -5.282 -15.282 -20.482 1.00 0.00 C ATOM 2386 CD PRO B 64 -4.473 -14.730 -19.339 1.00 0.00 C ATOM 0 HA PRO B 64 -6.051 -12.052 -20.350 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -6.846 -14.385 -21.639 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -5.258 -13.703 -21.929 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -6.042 -15.975 -20.121 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -4.649 -15.835 -21.175 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -4.494 -15.395 -18.476 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -3.427 -14.599 -19.615 1.00 0.00 H new ATOM 2394 N TRP B 65 -8.072 -12.058 -19.002 1.00 0.00 N ATOM 2395 CA TRP B 65 -9.471 -11.883 -18.607 1.00 0.00 C ATOM 2396 C TRP B 65 -9.960 -12.981 -17.650 1.00 0.00 C ATOM 2397 O TRP B 65 -9.777 -12.880 -16.438 1.00 0.00 O ATOM 2398 CB TRP B 65 -10.359 -11.797 -19.855 1.00 0.00 C ATOM 2399 CG TRP B 65 -11.775 -11.385 -19.573 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -12.197 -10.476 -18.644 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -12.951 -11.855 -20.239 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -13.566 -10.361 -18.688 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -14.052 -11.197 -19.659 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -13.179 -12.770 -21.268 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -15.362 -11.428 -20.075 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -14.478 -12.999 -21.681 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -15.556 -12.330 -21.086 1.00 0.00 C ATOM 0 H TRP B 65 -7.506 -11.221 -18.861 1.00 0.00 H new ATOM 0 HA TRP B 65 -9.541 -10.947 -18.053 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -9.917 -11.086 -20.554 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -10.366 -12.768 -20.350 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -11.550 -9.929 -17.974 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -14.129 -9.752 -18.094 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -12.355 -13.290 -21.733 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -16.194 -10.914 -19.616 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -14.665 -13.706 -22.476 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -16.559 -12.530 -21.432 1.00 0.00 H new ATOM 2418 N LEU B 66 -10.560 -14.030 -18.194 1.00 0.00 N ATOM 2419 CA LEU B 66 -11.119 -15.092 -17.378 1.00 0.00 C ATOM 2420 C LEU B 66 -10.185 -16.289 -17.335 1.00 0.00 C ATOM 2421 O LEU B 66 -10.186 -17.140 -18.227 1.00 0.00 O ATOM 2422 CB LEU B 66 -12.497 -15.511 -17.892 1.00 0.00 C ATOM 2423 CG LEU B 66 -13.679 -15.076 -17.021 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -13.562 -15.669 -15.625 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -13.768 -13.561 -16.947 1.00 0.00 C ATOM 0 H LEU B 66 -10.671 -14.166 -19.199 1.00 0.00 H new ATOM 0 HA LEU B 66 -11.234 -14.707 -16.365 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -12.634 -15.101 -18.893 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -12.517 -16.597 -17.987 1.00 0.00 H new ATOM 0 HG LEU B 66 -14.594 -15.450 -17.481 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -14.411 -15.348 -15.021 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -13.554 -16.757 -15.691 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -12.637 -15.327 -15.161 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -14.615 -13.276 -16.323 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -12.850 -13.163 -16.515 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -13.903 -13.155 -17.950 1.00 0.00 H new ATOM 2437 N GLN B 67 -9.370 -16.318 -16.304 1.00 0.00 N ATOM 2438 CA GLN B 67 -8.460 -17.420 -16.061 1.00 0.00 C ATOM 2439 C GLN B 67 -8.413 -17.683 -14.560 1.00 0.00 C ATOM 2440 O GLN B 67 -8.919 -16.875 -13.779 1.00 0.00 O ATOM 2441 CB GLN B 67 -7.067 -17.077 -16.600 1.00 0.00 C ATOM 2442 CG GLN B 67 -6.161 -18.281 -16.807 1.00 0.00 C ATOM 2443 CD GLN B 67 -6.651 -19.214 -17.900 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -7.296 -18.663 -18.915 1.00 0.00 O flip ATOM 2445 NE2 GLN B 67 -6.439 -20.424 -17.838 1.00 0.00 N flip ATOM 0 H GLN B 67 -9.318 -15.576 -15.606 1.00 0.00 H new ATOM 0 HA GLN B 67 -8.805 -18.317 -16.575 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -7.177 -16.552 -17.549 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -6.583 -16.387 -15.909 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -5.158 -17.935 -17.056 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -6.084 -18.835 -15.872 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -5.938 -20.814 -17.040 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -6.764 -21.038 -18.585 1.00 0.00 H new ATOM 2454 N THR B 68 -7.826 -18.800 -14.158 1.00 0.00 N ATOM 2455 CA THR B 68 -7.745 -19.166 -12.749 1.00 0.00 C ATOM 2456 C THR B 68 -6.897 -18.163 -11.959 1.00 0.00 C ATOM 2457 O THR B 68 -7.300 -17.705 -10.886 1.00 0.00 O ATOM 2458 CB THR B 68 -7.178 -20.588 -12.598 1.00 0.00 C ATOM 2459 OG1 THR B 68 -6.895 -21.123 -13.898 1.00 0.00 O ATOM 2460 CG2 THR B 68 -8.161 -21.498 -11.886 1.00 0.00 C ATOM 0 H THR B 68 -7.396 -19.474 -14.791 1.00 0.00 H new ATOM 0 HA THR B 68 -8.754 -19.144 -12.338 1.00 0.00 H new ATOM 0 HB THR B 68 -6.267 -20.534 -12.002 1.00 0.00 H new ATOM 0 HG1 THR B 68 -6.056 -20.742 -14.233 1.00 0.00 H new ATOM 0 HG21 THR B 68 -7.732 -22.496 -11.794 1.00 0.00 H new ATOM 0 HG22 THR B 68 -8.371 -21.101 -10.893 1.00 0.00 H new ATOM 0 HG23 THR B 68 -9.087 -21.552 -12.459 1.00 0.00 H new ATOM 2468 N GLY B 69 -5.723 -17.831 -12.488 1.00 0.00 N ATOM 2469 CA GLY B 69 -4.940 -16.747 -11.927 1.00 0.00 C ATOM 2470 C GLY B 69 -3.450 -17.039 -11.838 1.00 0.00 C ATOM 2471 O GLY B 69 -2.637 -16.271 -12.347 1.00 0.00 O ATOM 0 H GLY B 69 -5.301 -18.293 -13.294 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -5.089 -15.854 -12.534 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -5.315 -16.521 -10.929 1.00 0.00 H new ATOM 2543 N HIS B 74 2.648 -16.360 -9.497 1.00 0.00 N ATOM 2544 CA HIS B 74 2.832 -15.217 -8.604 1.00 0.00 C ATOM 2545 C HIS B 74 4.310 -14.996 -8.270 1.00 0.00 C ATOM 2546 O HIS B 74 5.016 -15.926 -7.873 1.00 0.00 O ATOM 2547 CB HIS B 74 2.024 -15.390 -7.302 1.00 0.00 C ATOM 2548 CG HIS B 74 2.415 -16.585 -6.471 1.00 0.00 C ATOM 2549 ND1 HIS B 74 3.295 -16.520 -5.405 1.00 0.00 N ATOM 2550 CD2 HIS B 74 2.033 -17.883 -6.550 1.00 0.00 C ATOM 2551 CE1 HIS B 74 3.433 -17.722 -4.879 1.00 0.00 C ATOM 2552 NE2 HIS B 74 2.680 -18.563 -5.555 1.00 0.00 N ATOM 0 HA HIS B 74 2.462 -14.339 -9.133 1.00 0.00 H new ATOM 0 HB2 HIS B 74 2.139 -14.491 -6.697 1.00 0.00 H new ATOM 0 HB3 HIS B 74 0.967 -15.471 -7.555 1.00 0.00 H new ATOM 0 HD1 HIS B 74 3.763 -15.675 -5.077 1.00 0.00 H new ATOM 0 HD2 HIS B 74 1.344 -18.303 -7.267 1.00 0.00 H new ATOM 0 HE1 HIS B 74 4.059 -17.973 -4.035 1.00 0.00 H new ATOM 2561 N ALA B 75 4.768 -13.766 -8.447 1.00 0.00 N ATOM 2562 CA ALA B 75 6.123 -13.385 -8.073 1.00 0.00 C ATOM 2563 C ALA B 75 6.120 -12.778 -6.677 1.00 0.00 C ATOM 2564 O ALA B 75 5.509 -11.732 -6.447 1.00 0.00 O ATOM 2565 CB ALA B 75 6.700 -12.408 -9.087 1.00 0.00 C ATOM 0 H ALA B 75 4.217 -13.009 -8.851 1.00 0.00 H new ATOM 0 HA ALA B 75 6.754 -14.274 -8.066 1.00 0.00 H new ATOM 0 HB1 ALA B 75 7.713 -12.134 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA B 75 6.723 -12.876 -10.071 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.078 -11.513 -9.125 1.00 0.00 H new ATOM 2571 N ASP B 76 6.807 -13.432 -5.753 1.00 0.00 N ATOM 2572 CA ASP B 76 6.759 -13.058 -4.349 1.00 0.00 C ATOM 2573 C ASP B 76 7.678 -11.881 -4.046 1.00 0.00 C ATOM 2574 O ASP B 76 7.663 -11.338 -2.943 1.00 0.00 O ATOM 2575 CB ASP B 76 7.150 -14.248 -3.480 1.00 0.00 C ATOM 2576 CG ASP B 76 6.174 -15.404 -3.585 1.00 0.00 C ATOM 2577 OD1 ASP B 76 4.950 -15.163 -3.620 1.00 0.00 O ATOM 2578 OD2 ASP B 76 6.635 -16.566 -3.648 1.00 0.00 O ATOM 0 H ASP B 76 7.409 -14.231 -5.953 1.00 0.00 H new ATOM 0 HA ASP B 76 5.737 -12.754 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP B 76 8.143 -14.591 -3.769 1.00 0.00 H new ATOM 0 HB3 ASP B 76 7.214 -13.927 -2.440 1.00 0.00 H new ATOM 2583 N ASP B 77 8.474 -11.491 -5.033 1.00 0.00 N ATOM 2584 CA ASP B 77 9.404 -10.370 -4.881 1.00 0.00 C ATOM 2585 C ASP B 77 8.680 -9.033 -4.997 1.00 0.00 C ATOM 2586 O ASP B 77 9.294 -7.970 -4.875 1.00 0.00 O ATOM 2587 CB ASP B 77 10.513 -10.437 -5.935 1.00 0.00 C ATOM 2588 CG ASP B 77 11.440 -11.618 -5.742 1.00 0.00 C ATOM 2589 OD1 ASP B 77 12.337 -11.541 -4.876 1.00 0.00 O ATOM 2590 OD2 ASP B 77 11.293 -12.620 -6.473 1.00 0.00 O ATOM 0 H ASP B 77 8.497 -11.933 -5.952 1.00 0.00 H new ATOM 0 HA ASP B 77 9.845 -10.447 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP B 77 10.062 -10.494 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP B 77 11.095 -9.516 -5.902 1.00 0.00 H new ATOM 2595 N CYS B 78 7.380 -9.088 -5.236 1.00 0.00 N ATOM 2596 CA CYS B 78 6.583 -7.881 -5.390 1.00 0.00 C ATOM 2597 C CYS B 78 6.014 -7.432 -4.044 1.00 0.00 C ATOM 2598 O CYS B 78 5.509 -8.247 -3.271 1.00 0.00 O ATOM 2599 CB CYS B 78 5.455 -8.127 -6.390 1.00 0.00 C ATOM 2600 SG CYS B 78 6.025 -8.636 -8.027 1.00 0.00 S ATOM 0 H CYS B 78 6.853 -9.957 -5.328 1.00 0.00 H new ATOM 0 HA CYS B 78 7.225 -7.086 -5.768 1.00 0.00 H new ATOM 0 HB2 CYS B 78 4.791 -8.895 -5.992 1.00 0.00 H new ATOM 0 HB3 CYS B 78 4.865 -7.216 -6.489 1.00 0.00 H new ATOM 0 HG CYS B 78 5.020 -9.092 -8.714 1.00 0.00 H new ATOM 2606 N PRO B 79 6.078 -6.119 -3.755 1.00 0.00 N ATOM 2607 CA PRO B 79 5.613 -5.551 -2.479 1.00 0.00 C ATOM 2608 C PRO B 79 4.135 -5.829 -2.212 1.00 0.00 C ATOM 2609 O PRO B 79 3.684 -5.785 -1.069 1.00 0.00 O ATOM 2610 CB PRO B 79 5.852 -4.045 -2.640 1.00 0.00 C ATOM 2611 CG PRO B 79 6.883 -3.936 -3.711 1.00 0.00 C ATOM 2612 CD PRO B 79 6.628 -5.084 -4.644 1.00 0.00 C ATOM 0 HA PRO B 79 6.140 -5.991 -1.632 1.00 0.00 H new ATOM 0 HB2 PRO B 79 4.935 -3.526 -2.919 1.00 0.00 H new ATOM 0 HB3 PRO B 79 6.200 -3.598 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO B 79 6.804 -2.983 -4.234 1.00 0.00 H new ATOM 0 HG3 PRO B 79 7.888 -3.988 -3.293 1.00 0.00 H new ATOM 0 HD2 PRO B 79 5.925 -4.815 -5.432 1.00 0.00 H new ATOM 0 HD3 PRO B 79 7.543 -5.417 -5.133 1.00 0.00 H new ATOM 2620 N VAL B 80 3.390 -6.122 -3.274 1.00 0.00 N ATOM 2621 CA VAL B 80 1.978 -6.453 -3.151 1.00 0.00 C ATOM 2622 C VAL B 80 1.787 -7.757 -2.377 1.00 0.00 C ATOM 2623 O VAL B 80 0.784 -7.940 -1.688 1.00 0.00 O ATOM 2624 CB VAL B 80 1.290 -6.558 -4.532 1.00 0.00 C ATOM 2625 CG1 VAL B 80 1.298 -5.209 -5.236 1.00 0.00 C ATOM 2626 CG2 VAL B 80 1.957 -7.616 -5.401 1.00 0.00 C ATOM 0 H VAL B 80 3.744 -6.136 -4.231 1.00 0.00 H new ATOM 0 HA VAL B 80 1.508 -5.639 -2.598 1.00 0.00 H new ATOM 0 HB VAL B 80 0.256 -6.860 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL B 80 0.810 -5.302 -6.206 1.00 0.00 H new ATOM 0 HG12 VAL B 80 0.763 -4.479 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL B 80 2.327 -4.879 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.451 -7.667 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL B 80 3.004 -7.354 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.894 -8.586 -4.907 1.00 0.00 H new ATOM 2636 N VAL B 81 2.759 -8.657 -2.490 1.00 0.00 N ATOM 2637 CA VAL B 81 2.717 -9.929 -1.781 1.00 0.00 C ATOM 2638 C VAL B 81 2.993 -9.706 -0.296 1.00 0.00 C ATOM 2639 O VAL B 81 2.415 -10.370 0.565 1.00 0.00 O ATOM 2640 CB VAL B 81 3.737 -10.931 -2.370 1.00 0.00 C ATOM 2641 CG1 VAL B 81 3.670 -12.267 -1.644 1.00 0.00 C ATOM 2642 CG2 VAL B 81 3.490 -11.123 -3.860 1.00 0.00 C ATOM 0 H VAL B 81 3.589 -8.527 -3.069 1.00 0.00 H new ATOM 0 HA VAL B 81 1.721 -10.354 -1.901 1.00 0.00 H new ATOM 0 HB VAL B 81 4.737 -10.520 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.397 -12.954 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.896 -12.119 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL B 81 2.669 -12.687 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL B 81 4.216 -11.831 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL B 81 2.483 -11.509 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL B 81 3.595 -10.167 -4.372 1.00 0.00 H new ATOM 2652 N ILE B 82 3.863 -8.744 -0.013 1.00 0.00 N ATOM 2653 CA ILE B 82 4.148 -8.343 1.357 1.00 0.00 C ATOM 2654 C ILE B 82 2.862 -7.898 2.045 1.00 0.00 C ATOM 2655 O ILE B 82 2.554 -8.332 3.155 1.00 0.00 O ATOM 2656 CB ILE B 82 5.181 -7.190 1.401 1.00 0.00 C ATOM 2657 CG1 ILE B 82 6.508 -7.628 0.771 1.00 0.00 C ATOM 2658 CG2 ILE B 82 5.404 -6.715 2.831 1.00 0.00 C ATOM 2659 CD1 ILE B 82 7.208 -8.738 1.530 1.00 0.00 C ATOM 0 H ILE B 82 4.385 -8.225 -0.719 1.00 0.00 H new ATOM 0 HA ILE B 82 4.569 -9.203 1.879 1.00 0.00 H new ATOM 0 HB ILE B 82 4.781 -6.357 0.822 1.00 0.00 H new ATOM 0 HG12 ILE B 82 6.323 -7.960 -0.251 1.00 0.00 H new ATOM 0 HG13 ILE B 82 7.173 -6.766 0.711 1.00 0.00 H new ATOM 0 HG21 ILE B 82 6.133 -5.905 2.836 1.00 0.00 H new ATOM 0 HG22 ILE B 82 4.462 -6.357 3.247 1.00 0.00 H new ATOM 0 HG23 ILE B 82 5.776 -7.542 3.435 1.00 0.00 H new ATOM 0 HD11 ILE B 82 8.139 -8.994 1.024 1.00 0.00 H new ATOM 0 HD12 ILE B 82 7.426 -8.404 2.544 1.00 0.00 H new ATOM 0 HD13 ILE B 82 6.563 -9.616 1.568 1.00 0.00 H new ATOM 2671 N ALA B 83 2.098 -7.053 1.352 1.00 0.00 N ATOM 2672 CA ALA B 83 0.829 -6.556 1.869 1.00 0.00 C ATOM 2673 C ALA B 83 -0.127 -7.705 2.176 1.00 0.00 C ATOM 2674 O ALA B 83 -0.837 -7.676 3.182 1.00 0.00 O ATOM 2675 CB ALA B 83 0.193 -5.592 0.879 1.00 0.00 C ATOM 0 H ALA B 83 2.340 -6.699 0.427 1.00 0.00 H new ATOM 0 HA ALA B 83 1.030 -6.024 2.799 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -0.754 -5.230 1.280 1.00 0.00 H new ATOM 0 HB2 ALA B 83 0.862 -4.748 0.712 1.00 0.00 H new ATOM 0 HB3 ALA B 83 0.014 -6.106 -0.065 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.121 -8.723 1.317 1.00 0.00 N ATOM 2682 CA LYS B 84 -0.970 -9.899 1.500 1.00 0.00 C ATOM 2683 C LYS B 84 -0.671 -10.599 2.823 1.00 0.00 C ATOM 2684 O LYS B 84 -1.576 -11.091 3.497 1.00 0.00 O ATOM 2685 CB LYS B 84 -0.775 -10.890 0.352 1.00 0.00 C ATOM 2686 CG LYS B 84 -1.313 -10.407 -0.984 1.00 0.00 C ATOM 2687 CD LYS B 84 -2.806 -10.122 -0.912 1.00 0.00 C ATOM 2688 CE LYS B 84 -3.402 -9.895 -2.292 1.00 0.00 C ATOM 2689 NZ LYS B 84 -3.385 -11.130 -3.119 1.00 0.00 N ATOM 0 H LYS B 84 0.466 -8.757 0.483 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.004 -9.553 1.511 1.00 0.00 H new ATOM 0 HB2 LYS B 84 0.289 -11.103 0.247 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -1.264 -11.829 0.610 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -0.783 -9.504 -1.286 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -1.121 -11.160 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -3.313 -10.957 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -2.979 -9.243 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -4.428 -9.542 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -2.844 -9.110 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -4.028 -11.015 -3.928 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -2.420 -11.302 -3.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -3.695 -11.938 -2.542 1.00 0.00 H new ATOM 2703 N GLN B 85 0.601 -10.655 3.180 1.00 0.00 N ATOM 2704 CA GLN B 85 1.017 -11.294 4.422 1.00 0.00 C ATOM 2705 C GLN B 85 0.702 -10.412 5.627 1.00 0.00 C ATOM 2706 O GLN B 85 0.351 -10.914 6.694 1.00 0.00 O ATOM 2707 CB GLN B 85 2.510 -11.631 4.374 1.00 0.00 C ATOM 2708 CG GLN B 85 2.791 -13.098 4.089 1.00 0.00 C ATOM 2709 CD GLN B 85 2.147 -13.591 2.808 1.00 0.00 C ATOM 2710 OE1 GLN B 85 1.001 -14.050 2.810 1.00 0.00 O ATOM 2711 NE2 GLN B 85 2.879 -13.517 1.710 1.00 0.00 N ATOM 0 H GLN B 85 1.366 -10.266 2.628 1.00 0.00 H new ATOM 0 HA GLN B 85 0.454 -12.221 4.531 1.00 0.00 H new ATOM 0 HB2 GLN B 85 2.988 -11.022 3.607 1.00 0.00 H new ATOM 0 HB3 GLN B 85 2.967 -11.360 5.326 1.00 0.00 H new ATOM 0 HG2 GLN B 85 3.869 -13.250 4.028 1.00 0.00 H new ATOM 0 HG3 GLN B 85 2.431 -13.699 4.924 1.00 0.00 H new ATOM 0 HE21 GLN B 85 3.822 -13.131 1.751 1.00 0.00 H new ATOM 0 HE22 GLN B 85 2.501 -13.846 0.822 1.00 0.00 H new ATOM 2720 N ILE B 86 0.798 -9.100 5.442 1.00 0.00 N ATOM 2721 CA ILE B 86 0.520 -8.151 6.517 1.00 0.00 C ATOM 2722 C ILE B 86 -0.954 -8.199 6.927 1.00 0.00 C ATOM 2723 O ILE B 86 -1.274 -8.234 8.117 1.00 0.00 O ATOM 2724 CB ILE B 86 0.888 -6.707 6.112 1.00 0.00 C ATOM 2725 CG1 ILE B 86 2.377 -6.614 5.767 1.00 0.00 C ATOM 2726 CG2 ILE B 86 0.541 -5.735 7.231 1.00 0.00 C ATOM 2727 CD1 ILE B 86 2.811 -5.241 5.300 1.00 0.00 C ATOM 0 H ILE B 86 1.066 -8.668 4.558 1.00 0.00 H new ATOM 0 HA ILE B 86 1.140 -8.446 7.364 1.00 0.00 H new ATOM 0 HB ILE B 86 0.309 -6.437 5.229 1.00 0.00 H new ATOM 0 HG12 ILE B 86 2.962 -6.891 6.644 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.606 -7.342 4.989 1.00 0.00 H new ATOM 0 HG21 ILE B 86 0.807 -4.722 6.929 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -0.528 -5.783 7.436 1.00 0.00 H new ATOM 0 HG23 ILE B 86 1.096 -6.003 8.130 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.877 -5.254 5.075 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.254 -4.969 4.404 1.00 0.00 H new ATOM 0 HD13 ILE B 86 2.615 -4.511 6.085 1.00 0.00 H new ATOM 2739 N LEU B 87 -1.848 -8.225 5.941 1.00 0.00 N ATOM 2740 CA LEU B 87 -3.286 -8.241 6.213 1.00 0.00 C ATOM 2741 C LEU B 87 -3.753 -9.633 6.635 1.00 0.00 C ATOM 2742 O LEU B 87 -4.923 -9.843 6.945 1.00 0.00 O ATOM 2743 CB LEU B 87 -4.072 -7.741 4.990 1.00 0.00 C ATOM 2744 CG LEU B 87 -3.830 -8.481 3.664 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -4.626 -9.777 3.593 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.180 -7.585 2.489 1.00 0.00 C ATOM 0 H LEU B 87 -1.605 -8.235 4.950 1.00 0.00 H new ATOM 0 HA LEU B 87 -3.481 -7.563 7.044 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -5.135 -7.798 5.222 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -3.835 -6.688 4.840 1.00 0.00 H new ATOM 0 HG LEU B 87 -2.772 -8.737 3.615 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -4.430 -10.273 2.642 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -4.329 -10.432 4.412 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -5.690 -9.555 3.674 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -4.004 -8.122 1.557 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.230 -7.299 2.550 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -3.558 -6.690 2.516 1.00 0.00 H new ATOM 2758 N SER B 88 -2.825 -10.573 6.652 1.00 0.00 N ATOM 2759 CA SER B 88 -3.126 -11.948 7.014 1.00 0.00 C ATOM 2760 C SER B 88 -2.813 -12.193 8.491 1.00 0.00 C ATOM 2761 O SER B 88 -2.671 -13.340 8.931 1.00 0.00 O ATOM 2762 CB SER B 88 -2.320 -12.899 6.123 1.00 0.00 C ATOM 2763 OG SER B 88 -2.673 -14.254 6.350 1.00 0.00 O ATOM 0 H SER B 88 -1.846 -10.407 6.417 1.00 0.00 H new ATOM 0 HA SER B 88 -4.189 -12.135 6.861 1.00 0.00 H new ATOM 0 HB2 SER B 88 -2.490 -12.649 5.076 1.00 0.00 H new ATOM 0 HB3 SER B 88 -1.256 -12.763 6.314 1.00 0.00 H new ATOM 0 HG SER B 88 -2.807 -14.401 7.310 1.00 0.00 H new ATOM 2769 N SER B 89 -2.729 -11.114 9.257 1.00 0.00 N ATOM 2770 CA SER B 89 -2.418 -11.200 10.676 1.00 0.00 C ATOM 2771 C SER B 89 -3.658 -11.565 11.499 1.00 0.00 C ATOM 2772 O SER B 89 -4.235 -10.725 12.187 1.00 0.00 O ATOM 2773 CB SER B 89 -1.809 -9.880 11.151 1.00 0.00 C ATOM 2774 OG SER B 89 -2.444 -8.774 10.529 1.00 0.00 O ATOM 0 H SER B 89 -2.873 -10.163 8.916 1.00 0.00 H new ATOM 0 HA SER B 89 -1.690 -11.997 10.825 1.00 0.00 H new ATOM 0 HB2 SER B 89 -1.907 -9.799 12.234 1.00 0.00 H new ATOM 0 HB3 SER B 89 -0.743 -9.866 10.926 1.00 0.00 H new ATOM 0 HG SER B 89 -1.928 -8.501 9.742 1.00 0.00 H new