USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 631 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: A 61 ASN : amide:sc= 0.279 K(o=0.63,f=-0.12) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.35 USER MOD Set 2.1: A 31 SER OG : rot -114:sc= 0.481 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 15 TYR OH : rot -130:sc= -0.371 USER MOD Single : A 17 CYS SG : rot 9:sc= 0.612 USER MOD Single : A 21 TYR OH : rot -100:sc= -2.09! USER MOD Single : A 25 MET CE :methyl 179:sc= -1.51 (180deg=-1.53) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00866 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0.647 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -150:sc= -1.19 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -50:sc= 1.25 USER MOD Single : A 40 TYR OH : rot 90:sc= -0.0704 USER MOD Single : A 41 GLN : amide:sc= 0.102 X(o=0.1,f=-0.051) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.381 F(o=-2.2,f=-0.38) USER MOD Single : A 51 THR OG1 : rot 96:sc= 0.724 USER MOD Single : A 52 SER OG : rot 180:sc= 0.193 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 95:sc= 0.978 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 175:sc= -1.57 (180deg=-1.59) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.9! C(o=-2.9!,f=-11!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD Single : A 77 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.115 F(o=-1.1,f=-0.11) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc=-0.00408 (180deg=-0.101) USER MOD Single : A 87 GLN : amide:sc= -0.816 K(o=-0.82,f=-2.3!) USER MOD Single : A 88 THR OG1 : rot 98:sc= 0.373 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -4.799 -26.907 0.034 1.00 0.00 N ATOM 221 CA TYR A 15 -5.872 -27.570 0.770 1.00 0.00 C ATOM 222 C TYR A 15 -6.846 -28.255 -0.198 1.00 0.00 C ATOM 223 O TYR A 15 -6.996 -27.813 -1.338 1.00 0.00 O ATOM 224 CB TYR A 15 -6.612 -26.553 1.653 1.00 0.00 C ATOM 225 CG TYR A 15 -5.812 -26.087 2.858 1.00 0.00 C ATOM 226 CD1 TYR A 15 -4.789 -25.153 2.729 1.00 0.00 C ATOM 227 CD2 TYR A 15 -6.079 -26.590 4.126 1.00 0.00 C ATOM 228 CE1 TYR A 15 -4.061 -24.735 3.828 1.00 0.00 C ATOM 229 CE2 TYR A 15 -5.356 -26.175 5.227 1.00 0.00 C ATOM 230 CZ TYR A 15 -4.348 -25.250 5.074 1.00 0.00 C ATOM 231 OH TYR A 15 -3.629 -24.834 6.173 1.00 0.00 O ATOM 0 HA TYR A 15 -5.435 -28.336 1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.877 -25.686 1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -7.545 -26.998 1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.560 -24.748 1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.866 -27.319 4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.271 -24.008 3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.581 -26.575 6.205 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.314 -25.616 6.673 1.00 0.00 H new ATOM 241 N PRO A 16 -7.530 -29.342 0.237 1.00 0.00 N ATOM 242 CA PRO A 16 -7.413 -29.897 1.594 1.00 0.00 C ATOM 243 C PRO A 16 -6.180 -30.786 1.772 1.00 0.00 C ATOM 244 O PRO A 16 -5.552 -31.201 0.795 1.00 0.00 O ATOM 245 CB PRO A 16 -8.695 -30.722 1.735 1.00 0.00 C ATOM 246 CG PRO A 16 -8.997 -31.185 0.348 1.00 0.00 C ATOM 247 CD PRO A 16 -8.490 -30.109 -0.586 1.00 0.00 C ATOM 0 HA PRO A 16 -7.296 -29.116 2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.552 -31.564 2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.510 -30.122 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.509 -32.138 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.068 -31.340 0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.008 -30.538 -1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.302 -29.477 -0.944 1.00 0.00 H new ATOM 255 N CYS A 17 -5.837 -31.066 3.027 1.00 0.00 N ATOM 256 CA CYS A 17 -4.670 -31.885 3.352 1.00 0.00 C ATOM 257 C CYS A 17 -4.823 -32.548 4.720 1.00 0.00 C ATOM 258 O CYS A 17 -5.485 -32.010 5.610 1.00 0.00 O ATOM 259 CB CYS A 17 -3.391 -31.030 3.347 1.00 0.00 C ATOM 260 SG CYS A 17 -2.923 -30.379 1.726 1.00 0.00 S ATOM 0 H CYS A 17 -6.354 -30.735 3.841 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.594 -32.661 2.590 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.526 -30.194 4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.568 -31.630 3.734 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.879 -30.607 0.875 1.00 0.00 H new ATOM 266 N LEU A 18 -4.231 -33.728 4.864 1.00 0.00 N ATOM 267 CA LEU A 18 -4.102 -34.384 6.162 1.00 0.00 C ATOM 268 C LEU A 18 -2.984 -33.721 6.964 1.00 0.00 C ATOM 269 O LEU A 18 -1.800 -33.943 6.698 1.00 0.00 O ATOM 270 CB LEU A 18 -3.801 -35.876 5.968 1.00 0.00 C ATOM 271 CG LEU A 18 -4.962 -36.706 5.403 1.00 0.00 C ATOM 272 CD1 LEU A 18 -4.467 -38.062 4.909 1.00 0.00 C ATOM 273 CD2 LEU A 18 -6.050 -36.885 6.459 1.00 0.00 C ATOM 0 H LEU A 18 -3.828 -34.256 4.089 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.039 -34.285 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.946 -35.974 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.506 -36.299 6.928 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.387 -36.170 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.306 -38.633 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.726 -37.915 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.015 -38.608 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.867 -37.476 6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.635 -37.399 7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.427 -35.908 6.763 1.00 0.00 H new ATOM 285 N TRP A 19 -3.364 -32.898 7.933 1.00 0.00 N ATOM 286 CA TRP A 19 -2.400 -32.133 8.718 1.00 0.00 C ATOM 287 C TRP A 19 -2.129 -32.831 10.052 1.00 0.00 C ATOM 288 O TRP A 19 -3.025 -33.470 10.617 1.00 0.00 O ATOM 289 CB TRP A 19 -2.930 -30.707 8.954 1.00 0.00 C ATOM 290 CG TRP A 19 -1.847 -29.700 9.212 1.00 0.00 C ATOM 291 CD1 TRP A 19 -1.277 -29.389 10.415 1.00 0.00 C ATOM 292 CD2 TRP A 19 -1.202 -28.876 8.234 1.00 0.00 C ATOM 293 NE1 TRP A 19 -0.312 -28.427 10.242 1.00 0.00 N ATOM 294 CE2 TRP A 19 -0.248 -28.094 8.911 1.00 0.00 C ATOM 295 CE3 TRP A 19 -1.337 -28.727 6.850 1.00 0.00 C ATOM 296 CZ2 TRP A 19 0.567 -27.177 8.247 1.00 0.00 C ATOM 297 CZ3 TRP A 19 -0.531 -27.815 6.195 1.00 0.00 C ATOM 298 CH2 TRP A 19 0.412 -27.052 6.893 1.00 0.00 C ATOM 0 H TRP A 19 -4.337 -32.742 8.196 1.00 0.00 H new ATOM 0 HA TRP A 19 -1.462 -32.072 8.166 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -3.506 -30.394 8.084 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -3.614 -30.718 9.802 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -1.546 -29.834 11.362 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.264 -28.025 10.982 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.059 -29.315 6.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.295 -26.586 8.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.631 -27.689 5.127 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.030 -26.350 6.352 1.00 0.00 H new ATOM 309 N ASP A 20 -0.894 -32.724 10.541 1.00 0.00 N ATOM 310 CA ASP A 20 -0.510 -33.340 11.813 1.00 0.00 C ATOM 311 C ASP A 20 -0.411 -32.288 12.915 1.00 0.00 C ATOM 312 O ASP A 20 0.041 -31.164 12.683 1.00 0.00 O ATOM 313 CB ASP A 20 0.826 -34.098 11.686 1.00 0.00 C ATOM 314 CG ASP A 20 2.036 -33.179 11.552 1.00 0.00 C ATOM 315 OD1 ASP A 20 2.292 -32.684 10.431 1.00 0.00 O ATOM 316 OD2 ASP A 20 2.746 -32.959 12.562 1.00 0.00 O ATOM 0 H ASP A 20 -0.141 -32.216 10.076 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.287 -34.057 12.079 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.958 -34.735 12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.781 -34.755 10.818 1.00 0.00 H new ATOM 321 N TYR A 21 -0.857 -32.665 14.106 1.00 0.00 N ATOM 322 CA TYR A 21 -0.797 -31.809 15.284 1.00 0.00 C ATOM 323 C TYR A 21 -0.138 -32.575 16.427 1.00 0.00 C ATOM 324 O TYR A 21 -0.649 -33.611 16.866 1.00 0.00 O ATOM 325 CB TYR A 21 -2.208 -31.369 15.709 1.00 0.00 C ATOM 326 CG TYR A 21 -2.964 -30.567 14.660 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.621 -31.201 13.609 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.025 -29.176 14.723 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.311 -30.478 12.656 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.717 -28.447 13.771 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.356 -29.104 12.740 1.00 0.00 C ATOM 332 OH TYR A 21 -5.046 -28.384 11.791 1.00 0.00 O ATOM 0 H TYR A 21 -1.273 -33.579 14.283 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.214 -30.920 15.044 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.791 -32.255 15.959 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.130 -30.772 16.617 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.590 -32.278 13.538 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.524 -28.658 15.528 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.814 -30.988 11.848 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.756 -27.370 13.835 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.416 -28.020 11.135 1.00 0.00 H new ATOM 342 N ARG A 22 1.007 -32.090 16.886 1.00 0.00 N ATOM 343 CA ARG A 22 1.706 -32.715 18.003 1.00 0.00 C ATOM 344 C ARG A 22 1.077 -32.276 19.325 1.00 0.00 C ATOM 345 O ARG A 22 1.173 -31.109 19.715 1.00 0.00 O ATOM 346 CB ARG A 22 3.199 -32.361 17.965 1.00 0.00 C ATOM 347 CG ARG A 22 4.031 -33.024 19.059 1.00 0.00 C ATOM 348 CD ARG A 22 3.933 -34.545 19.008 1.00 0.00 C ATOM 349 NE ARG A 22 4.214 -35.070 17.667 1.00 0.00 N ATOM 350 CZ ARG A 22 5.111 -36.019 17.401 1.00 0.00 C ATOM 351 NH1 ARG A 22 5.896 -36.492 18.361 1.00 0.00 N ATOM 352 NH2 ARG A 22 5.243 -36.472 16.162 1.00 0.00 N ATOM 0 H ARG A 22 1.472 -31.267 16.504 1.00 0.00 H new ATOM 0 HA ARG A 22 1.612 -33.798 17.918 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.603 -32.647 16.994 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.306 -31.280 18.049 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.074 -32.724 18.954 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.695 -32.671 20.034 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.635 -34.977 19.721 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.934 -34.854 19.316 1.00 0.00 H new ATOM 0 HE ARG A 22 3.687 -34.682 16.885 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.815 -36.129 19.311 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.580 -37.218 18.149 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.659 -36.094 15.416 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.929 -37.198 15.955 1.00 0.00 H new ATOM 366 N VAL A 23 0.418 -33.214 19.998 1.00 0.00 N ATOM 367 CA VAL A 23 -0.292 -32.931 21.242 1.00 0.00 C ATOM 368 C VAL A 23 0.396 -33.620 22.421 1.00 0.00 C ATOM 369 O VAL A 23 0.336 -34.843 22.555 1.00 0.00 O ATOM 370 CB VAL A 23 -1.764 -33.412 21.157 1.00 0.00 C ATOM 371 CG1 VAL A 23 -2.545 -33.013 22.408 1.00 0.00 C ATOM 372 CG2 VAL A 23 -2.438 -32.874 19.895 1.00 0.00 C ATOM 0 H VAL A 23 0.361 -34.187 19.699 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.277 -31.852 21.395 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.760 -34.501 21.100 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.574 -33.363 22.322 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.081 -33.463 23.286 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.538 -31.928 22.511 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.470 -33.224 19.856 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.425 -31.784 19.912 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.901 -33.230 19.016 1.00 0.00 H new ATOM 382 N ILE A 24 1.061 -32.837 23.264 1.00 0.00 N ATOM 383 CA ILE A 24 1.735 -33.375 24.445 1.00 0.00 C ATOM 384 C ILE A 24 0.870 -33.171 25.688 1.00 0.00 C ATOM 385 O ILE A 24 0.688 -32.043 26.154 1.00 0.00 O ATOM 386 CB ILE A 24 3.124 -32.723 24.655 1.00 0.00 C ATOM 387 CG1 ILE A 24 4.003 -32.950 23.412 1.00 0.00 C ATOM 388 CG2 ILE A 24 3.802 -33.283 25.909 1.00 0.00 C ATOM 389 CD1 ILE A 24 5.388 -32.347 23.518 1.00 0.00 C ATOM 0 H ILE A 24 1.149 -31.827 23.153 1.00 0.00 H new ATOM 0 HA ILE A 24 1.886 -34.442 24.281 1.00 0.00 H new ATOM 0 HB ILE A 24 2.990 -31.651 24.798 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.097 -34.022 23.237 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.500 -32.528 22.542 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.776 -32.811 26.037 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.181 -33.077 26.781 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.932 -34.360 25.802 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.944 -32.550 22.603 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.306 -31.270 23.661 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.912 -32.786 24.367 1.00 0.00 H new ATOM 401 N MET A 25 0.332 -34.271 26.211 1.00 0.00 N ATOM 402 CA MET A 25 -0.584 -34.235 27.351 1.00 0.00 C ATOM 403 C MET A 25 0.050 -34.913 28.564 1.00 0.00 C ATOM 404 O MET A 25 0.861 -35.825 28.415 1.00 0.00 O ATOM 405 CB MET A 25 -1.902 -34.944 26.988 1.00 0.00 C ATOM 406 CG MET A 25 -2.582 -34.382 25.744 1.00 0.00 C ATOM 407 SD MET A 25 -4.018 -35.344 25.220 1.00 0.00 S ATOM 408 CE MET A 25 -5.118 -35.138 26.617 1.00 0.00 C ATOM 0 H MET A 25 0.517 -35.210 25.858 1.00 0.00 H new ATOM 0 HA MET A 25 -0.792 -33.194 27.599 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.702 -36.004 26.834 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.588 -34.868 27.831 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.893 -33.356 25.940 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.860 -34.346 24.928 1.00 0.00 H new ATOM 0 HE1 MET A 25 -6.053 -35.664 26.425 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.649 -35.546 27.512 1.00 0.00 H new ATOM 0 HE3 MET A 25 -5.323 -34.078 26.766 1.00 0.00 H new ATOM 418 N THR A 26 -0.324 -34.471 29.760 1.00 0.00 N ATOM 419 CA THR A 26 0.185 -35.060 30.998 1.00 0.00 C ATOM 420 C THR A 26 -0.688 -36.235 31.442 1.00 0.00 C ATOM 421 O THR A 26 -0.849 -36.493 32.637 1.00 0.00 O ATOM 422 CB THR A 26 0.248 -33.999 32.124 1.00 0.00 C ATOM 423 OG1 THR A 26 -1.004 -33.300 32.211 1.00 0.00 O ATOM 424 CG2 THR A 26 1.377 -33.003 31.882 1.00 0.00 C ATOM 0 H THR A 26 -0.981 -33.703 29.901 1.00 0.00 H new ATOM 0 HA THR A 26 1.192 -35.427 30.802 1.00 0.00 H new ATOM 0 HB THR A 26 0.444 -34.516 33.063 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.957 -32.632 32.926 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.396 -32.271 32.689 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.329 -33.533 31.851 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.215 -32.492 30.933 1.00 0.00 H new ATOM 432 N THR A 27 -1.225 -36.964 30.471 1.00 0.00 N ATOM 433 CA THR A 27 -2.138 -38.064 30.744 1.00 0.00 C ATOM 434 C THR A 27 -2.148 -39.048 29.581 1.00 0.00 C ATOM 435 O THR A 27 -1.811 -38.687 28.452 1.00 0.00 O ATOM 436 CB THR A 27 -3.580 -37.551 30.966 1.00 0.00 C ATOM 437 OG1 THR A 27 -4.451 -38.646 31.291 1.00 0.00 O ATOM 438 CG2 THR A 27 -4.097 -36.840 29.718 1.00 0.00 C ATOM 0 H THR A 27 -1.041 -36.810 29.480 1.00 0.00 H new ATOM 0 HA THR A 27 -1.788 -38.559 31.650 1.00 0.00 H new ATOM 0 HB THR A 27 -3.566 -36.843 31.794 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.318 -38.298 31.586 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.113 -36.487 29.895 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.452 -35.991 29.489 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.095 -37.534 28.877 1.00 0.00 H new ATOM 446 N LYS A 28 -2.518 -40.291 29.868 1.00 0.00 N ATOM 447 CA LYS A 28 -2.749 -41.288 28.828 1.00 0.00 C ATOM 448 C LYS A 28 -4.222 -41.309 28.440 1.00 0.00 C ATOM 449 O LYS A 28 -4.609 -41.948 27.459 1.00 0.00 O ATOM 450 CB LYS A 28 -2.312 -42.680 29.295 1.00 0.00 C ATOM 451 CG LYS A 28 -0.801 -42.852 29.388 1.00 0.00 C ATOM 452 CD LYS A 28 -0.416 -44.240 29.889 1.00 0.00 C ATOM 453 CE LYS A 28 -0.999 -45.349 29.016 1.00 0.00 C ATOM 454 NZ LYS A 28 -0.654 -46.699 29.533 1.00 0.00 N ATOM 0 H LYS A 28 -2.665 -40.634 30.817 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.152 -41.015 27.958 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.752 -42.880 30.272 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.711 -43.426 28.607 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.356 -42.684 28.408 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.390 -42.097 30.059 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.670 -44.329 29.910 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.766 -44.365 30.914 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.083 -45.244 28.971 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.625 -45.244 27.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.068 -47.424 28.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.380 -46.809 29.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.032 -46.809 30.495 1.00 0.00 H new ATOM 468 N ASP A 29 -5.044 -40.606 29.216 1.00 0.00 N ATOM 469 CA ASP A 29 -6.472 -40.535 28.944 1.00 0.00 C ATOM 470 C ASP A 29 -6.760 -39.403 27.978 1.00 0.00 C ATOM 471 O ASP A 29 -7.062 -38.275 28.383 1.00 0.00 O ATOM 472 CB ASP A 29 -7.285 -40.348 30.235 1.00 0.00 C ATOM 473 CG ASP A 29 -8.784 -40.229 29.963 1.00 0.00 C ATOM 474 OD1 ASP A 29 -9.392 -41.221 29.509 1.00 0.00 O ATOM 475 OD2 ASP A 29 -9.362 -39.144 30.200 1.00 0.00 O ATOM 0 H ASP A 29 -4.743 -40.079 30.036 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.775 -41.481 28.495 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.105 -41.192 30.901 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.940 -39.453 30.753 1.00 0.00 H new ATOM 480 N THR A 30 -6.607 -39.685 26.696 1.00 0.00 N ATOM 481 CA THR A 30 -7.006 -38.743 25.676 1.00 0.00 C ATOM 482 C THR A 30 -8.499 -38.924 25.413 1.00 0.00 C ATOM 483 O THR A 30 -8.921 -39.855 24.728 1.00 0.00 O ATOM 484 CB THR A 30 -6.176 -38.904 24.372 1.00 0.00 C ATOM 485 OG1 THR A 30 -6.680 -38.033 23.353 1.00 0.00 O ATOM 486 CG2 THR A 30 -6.176 -40.346 23.865 1.00 0.00 C ATOM 0 H THR A 30 -6.211 -40.556 26.342 1.00 0.00 H new ATOM 0 HA THR A 30 -6.812 -37.730 26.030 1.00 0.00 H new ATOM 0 HB THR A 30 -5.147 -38.635 24.609 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.522 -38.434 22.473 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.584 -40.411 22.952 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.745 -40.999 24.624 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.199 -40.658 23.657 1.00 0.00 H new ATOM 494 N SER A 31 -9.300 -38.055 26.012 1.00 0.00 N ATOM 495 CA SER A 31 -10.747 -38.137 25.904 1.00 0.00 C ATOM 496 C SER A 31 -11.288 -36.960 25.099 1.00 0.00 C ATOM 497 O SER A 31 -11.582 -37.099 23.908 1.00 0.00 O ATOM 498 CB SER A 31 -11.364 -38.191 27.312 1.00 0.00 C ATOM 499 OG SER A 31 -10.686 -37.308 28.200 1.00 0.00 O ATOM 0 H SER A 31 -8.967 -37.278 26.583 1.00 0.00 H new ATOM 0 HA SER A 31 -11.023 -39.048 25.373 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.419 -37.922 27.261 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.313 -39.210 27.697 1.00 0.00 H new ATOM 0 HG SER A 31 -10.225 -37.829 28.890 1.00 0.00 H new ATOM 505 N THR A 32 -11.363 -35.796 25.743 1.00 0.00 N ATOM 506 CA THR A 32 -11.900 -34.587 25.122 1.00 0.00 C ATOM 507 C THR A 32 -11.237 -34.314 23.767 1.00 0.00 C ATOM 508 O THR A 32 -11.864 -33.775 22.850 1.00 0.00 O ATOM 509 CB THR A 32 -11.704 -33.370 26.053 1.00 0.00 C ATOM 510 OG1 THR A 32 -12.069 -33.735 27.391 1.00 0.00 O ATOM 511 CG2 THR A 32 -12.546 -32.178 25.598 1.00 0.00 C ATOM 0 H THR A 32 -11.054 -35.665 26.706 1.00 0.00 H new ATOM 0 HA THR A 32 -12.966 -34.746 24.957 1.00 0.00 H new ATOM 0 HB THR A 32 -10.655 -33.075 26.016 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.944 -32.966 27.985 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.384 -31.339 26.275 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.254 -31.891 24.588 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.601 -32.453 25.606 1.00 0.00 H new ATOM 519 N LEU A 33 -9.970 -34.716 23.647 1.00 0.00 N ATOM 520 CA LEU A 33 -9.217 -34.548 22.409 1.00 0.00 C ATOM 521 C LEU A 33 -9.913 -35.272 21.259 1.00 0.00 C ATOM 522 O LEU A 33 -10.208 -34.672 20.230 1.00 0.00 O ATOM 523 CB LEU A 33 -7.780 -35.070 22.580 1.00 0.00 C ATOM 524 CG LEU A 33 -6.876 -34.945 21.339 1.00 0.00 C ATOM 525 CD1 LEU A 33 -6.781 -33.490 20.878 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.486 -35.511 21.627 1.00 0.00 C ATOM 0 H LEU A 33 -9.444 -35.162 24.399 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.174 -33.485 22.172 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.312 -34.531 23.404 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.826 -36.120 22.870 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.324 -35.527 20.533 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.137 -33.428 20.001 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.776 -33.123 20.625 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.362 -32.881 21.679 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.862 -35.414 20.738 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.032 -34.960 22.451 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.571 -36.564 21.897 1.00 0.00 H new ATOM 538 N LYS A 34 -10.196 -36.558 21.447 1.00 0.00 N ATOM 539 CA LYS A 34 -10.869 -37.342 20.415 1.00 0.00 C ATOM 540 C LYS A 34 -12.293 -36.832 20.200 1.00 0.00 C ATOM 541 O LYS A 34 -12.769 -36.767 19.066 1.00 0.00 O ATOM 542 CB LYS A 34 -10.886 -38.836 20.780 1.00 0.00 C ATOM 543 CG LYS A 34 -9.503 -39.487 20.807 1.00 0.00 C ATOM 544 CD LYS A 34 -9.584 -40.996 21.049 1.00 0.00 C ATOM 545 CE LYS A 34 -10.267 -41.324 22.373 1.00 0.00 C ATOM 546 NZ LYS A 34 -10.357 -42.789 22.614 1.00 0.00 N ATOM 0 H LYS A 34 -9.972 -37.076 22.297 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.311 -37.226 19.486 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.351 -38.955 21.759 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.512 -39.367 20.063 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.995 -39.298 19.861 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.901 -39.026 21.590 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.132 -41.466 20.232 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.579 -41.419 21.044 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.716 -40.857 23.189 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.269 -40.895 22.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.828 -42.963 23.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.905 -43.233 21.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.400 -43.197 22.636 1.00 0.00 H new ATOM 560 N GLU A 35 -12.955 -36.447 21.294 1.00 0.00 N ATOM 561 CA GLU A 35 -14.337 -35.968 21.233 1.00 0.00 C ATOM 562 C GLU A 35 -14.458 -34.786 20.265 1.00 0.00 C ATOM 563 O GLU A 35 -15.308 -34.791 19.368 1.00 0.00 O ATOM 564 CB GLU A 35 -14.839 -35.538 22.624 1.00 0.00 C ATOM 565 CG GLU A 35 -14.629 -36.568 23.732 1.00 0.00 C ATOM 566 CD GLU A 35 -15.292 -37.910 23.460 1.00 0.00 C ATOM 567 OE1 GLU A 35 -16.526 -37.945 23.272 1.00 0.00 O ATOM 568 OE2 GLU A 35 -14.583 -38.939 23.445 1.00 0.00 O ATOM 0 H GLU A 35 -12.556 -36.458 22.233 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.952 -36.794 20.875 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.334 -34.614 22.907 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.903 -35.311 22.556 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.559 -36.724 23.872 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.017 -36.165 24.667 1.00 0.00 H new ATOM 575 N LEU A 36 -13.594 -33.784 20.443 1.00 0.00 N ATOM 576 CA LEU A 36 -13.646 -32.563 19.634 1.00 0.00 C ATOM 577 C LEU A 36 -13.303 -32.864 18.173 1.00 0.00 C ATOM 578 O LEU A 36 -13.827 -32.227 17.261 1.00 0.00 O ATOM 579 CB LEU A 36 -12.714 -31.478 20.224 1.00 0.00 C ATOM 580 CG LEU A 36 -11.196 -31.758 20.159 1.00 0.00 C ATOM 581 CD1 LEU A 36 -10.595 -31.308 18.827 1.00 0.00 C ATOM 582 CD2 LEU A 36 -10.472 -31.092 21.326 1.00 0.00 C ATOM 0 H LEU A 36 -12.850 -33.794 21.140 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.664 -32.175 19.659 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.910 -30.541 19.703 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.988 -31.325 21.268 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.060 -32.837 20.235 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.526 -31.522 18.819 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.078 -31.844 18.010 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.752 -30.237 18.700 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.405 -31.303 21.260 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.632 -30.015 21.287 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.861 -31.483 22.266 1.00 0.00 H new ATOM 594 N LEU A 37 -12.437 -33.850 17.953 1.00 0.00 N ATOM 595 CA LEU A 37 -12.041 -34.240 16.600 1.00 0.00 C ATOM 596 C LEU A 37 -13.235 -34.808 15.832 1.00 0.00 C ATOM 597 O LEU A 37 -13.448 -34.485 14.660 1.00 0.00 O ATOM 598 CB LEU A 37 -10.907 -35.278 16.651 1.00 0.00 C ATOM 599 CG LEU A 37 -9.594 -34.792 17.290 1.00 0.00 C ATOM 600 CD1 LEU A 37 -8.596 -35.940 17.422 1.00 0.00 C ATOM 601 CD2 LEU A 37 -8.994 -33.643 16.484 1.00 0.00 C ATOM 0 H LEU A 37 -11.995 -34.394 18.694 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.683 -33.351 16.080 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.259 -36.149 17.204 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.695 -35.610 15.635 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.820 -34.424 18.291 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.676 -35.572 17.876 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.023 -36.723 18.049 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.376 -36.346 16.435 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.067 -33.315 16.953 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.787 -33.980 15.468 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.699 -32.812 16.454 1.00 0.00 H new ATOM 613 N GLU A 38 -14.024 -35.631 16.515 1.00 0.00 N ATOM 614 CA GLU A 38 -15.156 -36.320 15.896 1.00 0.00 C ATOM 615 C GLU A 38 -16.262 -35.344 15.484 1.00 0.00 C ATOM 616 O GLU A 38 -17.038 -35.627 14.569 1.00 0.00 O ATOM 617 CB GLU A 38 -15.716 -37.379 16.853 1.00 0.00 C ATOM 618 CG GLU A 38 -14.692 -38.431 17.263 1.00 0.00 C ATOM 619 CD GLU A 38 -15.251 -39.460 18.229 1.00 0.00 C ATOM 620 OE1 GLU A 38 -15.481 -39.118 19.404 1.00 0.00 O ATOM 621 OE2 GLU A 38 -15.468 -40.623 17.819 1.00 0.00 O ATOM 0 H GLU A 38 -13.900 -35.840 17.506 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.791 -36.806 14.991 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.095 -36.885 17.747 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.564 -37.874 16.379 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.325 -38.940 16.371 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.836 -37.937 17.723 1.00 0.00 H new ATOM 628 N THR A 39 -16.328 -34.185 16.142 1.00 0.00 N ATOM 629 CA THR A 39 -17.388 -33.212 15.860 1.00 0.00 C ATOM 630 C THR A 39 -17.284 -32.665 14.430 1.00 0.00 C ATOM 631 O THR A 39 -18.250 -32.122 13.894 1.00 0.00 O ATOM 632 CB THR A 39 -17.382 -32.030 16.863 1.00 0.00 C ATOM 633 OG1 THR A 39 -16.186 -31.251 16.716 1.00 0.00 O ATOM 634 CG2 THR A 39 -17.490 -32.530 18.300 1.00 0.00 C ATOM 0 H THR A 39 -15.669 -33.898 16.866 1.00 0.00 H new ATOM 0 HA THR A 39 -18.329 -33.751 15.970 1.00 0.00 H new ATOM 0 HB THR A 39 -18.248 -31.405 16.643 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.405 -31.843 16.734 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.483 -31.680 18.982 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.419 -33.087 18.423 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.645 -33.181 18.523 1.00 0.00 H new ATOM 642 N TYR A 40 -16.109 -32.817 13.815 1.00 0.00 N ATOM 643 CA TYR A 40 -15.887 -32.346 12.445 1.00 0.00 C ATOM 644 C TYR A 40 -16.405 -33.358 11.424 1.00 0.00 C ATOM 645 O TYR A 40 -16.372 -33.106 10.219 1.00 0.00 O ATOM 646 CB TYR A 40 -14.396 -32.070 12.207 1.00 0.00 C ATOM 647 CG TYR A 40 -13.844 -30.939 13.054 1.00 0.00 C ATOM 648 CD1 TYR A 40 -13.869 -29.627 12.596 1.00 0.00 C ATOM 649 CD2 TYR A 40 -13.306 -31.183 14.313 1.00 0.00 C ATOM 650 CE1 TYR A 40 -13.376 -28.592 13.365 1.00 0.00 C ATOM 651 CE2 TYR A 40 -12.809 -30.152 15.089 1.00 0.00 C ATOM 652 CZ TYR A 40 -12.848 -28.859 14.610 1.00 0.00 C ATOM 653 OH TYR A 40 -12.359 -27.826 15.378 1.00 0.00 O ATOM 0 H TYR A 40 -15.297 -33.262 14.243 1.00 0.00 H new ATOM 0 HA TYR A 40 -16.443 -31.417 12.316 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -13.830 -32.978 12.415 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.243 -31.832 11.154 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.282 -29.413 11.621 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.276 -32.194 14.691 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.404 -27.578 12.993 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.393 -30.358 16.064 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.078 -27.466 15.938 1.00 0.00 H new ATOM 663 N GLN A 41 -16.863 -34.513 11.919 1.00 0.00 N ATOM 664 CA GLN A 41 -17.446 -35.564 11.076 1.00 0.00 C ATOM 665 C GLN A 41 -16.425 -36.094 10.066 1.00 0.00 C ATOM 666 O GLN A 41 -16.784 -36.745 9.081 1.00 0.00 O ATOM 667 CB GLN A 41 -18.701 -35.039 10.352 1.00 0.00 C ATOM 668 CG GLN A 41 -19.790 -34.532 11.295 1.00 0.00 C ATOM 669 CD GLN A 41 -20.295 -35.604 12.247 1.00 0.00 C ATOM 670 OE1 GLN A 41 -21.242 -36.330 11.941 1.00 0.00 O ATOM 671 NE2 GLN A 41 -19.671 -35.708 13.409 1.00 0.00 N ATOM 0 H GLN A 41 -16.840 -34.746 12.912 1.00 0.00 H new ATOM 0 HA GLN A 41 -17.737 -36.392 11.723 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -18.410 -34.231 9.680 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -19.112 -35.836 9.733 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -19.401 -33.694 11.873 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -20.626 -34.153 10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -18.890 -35.088 13.626 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -19.970 -36.408 14.088 1.00 0.00 H new ATOM 680 N ARG A 42 -15.149 -35.829 10.326 1.00 0.00 N ATOM 681 CA ARG A 42 -14.070 -36.275 9.452 1.00 0.00 C ATOM 682 C ARG A 42 -13.186 -37.282 10.191 1.00 0.00 C ATOM 683 O ARG A 42 -13.137 -37.271 11.425 1.00 0.00 O ATOM 684 CB ARG A 42 -13.226 -35.080 8.983 1.00 0.00 C ATOM 685 CG ARG A 42 -12.400 -34.431 10.090 1.00 0.00 C ATOM 686 CD ARG A 42 -11.428 -33.389 9.542 1.00 0.00 C ATOM 687 NE ARG A 42 -12.091 -32.155 9.108 1.00 0.00 N ATOM 688 CZ ARG A 42 -12.403 -31.863 7.840 1.00 0.00 C ATOM 689 NH1 ARG A 42 -12.238 -32.767 6.876 1.00 0.00 N ATOM 690 NH2 ARG A 42 -12.889 -30.669 7.540 1.00 0.00 N ATOM 0 H ARG A 42 -14.835 -35.303 11.142 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.507 -36.755 8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.555 -35.411 8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.887 -34.329 8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.067 -33.960 10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.843 -35.200 10.625 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.692 -33.148 10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.883 -33.817 8.701 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.332 -31.470 9.824 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.871 -33.692 7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.479 -32.535 5.912 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.025 -29.974 8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.128 -30.443 6.574 1.00 0.00 H new ATOM 704 N PRO A 43 -12.490 -38.172 9.458 1.00 0.00 N ATOM 705 CA PRO A 43 -11.576 -39.144 10.064 1.00 0.00 C ATOM 706 C PRO A 43 -10.332 -38.476 10.650 1.00 0.00 C ATOM 707 O PRO A 43 -9.854 -37.456 10.139 1.00 0.00 O ATOM 708 CB PRO A 43 -11.201 -40.066 8.894 1.00 0.00 C ATOM 709 CG PRO A 43 -11.390 -39.225 7.677 1.00 0.00 C ATOM 710 CD PRO A 43 -12.548 -38.312 7.988 1.00 0.00 C ATOM 0 HA PRO A 43 -12.034 -39.672 10.900 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.172 -40.415 8.979 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.837 -40.951 8.867 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -10.490 -38.653 7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.601 -39.842 6.804 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.445 -37.349 7.488 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.496 -38.740 7.662 1.00 0.00 H new ATOM 718 N PHE A 44 -9.816 -39.056 11.726 1.00 0.00 N ATOM 719 CA PHE A 44 -8.607 -38.565 12.374 1.00 0.00 C ATOM 720 C PHE A 44 -7.719 -39.746 12.754 1.00 0.00 C ATOM 721 O PHE A 44 -8.122 -40.901 12.609 1.00 0.00 O ATOM 722 CB PHE A 44 -8.952 -37.729 13.619 1.00 0.00 C ATOM 723 CG PHE A 44 -9.656 -38.503 14.710 1.00 0.00 C ATOM 724 CD1 PHE A 44 -11.032 -38.690 14.674 1.00 0.00 C ATOM 725 CD2 PHE A 44 -8.941 -39.040 15.776 1.00 0.00 C ATOM 726 CE1 PHE A 44 -11.677 -39.393 15.675 1.00 0.00 C ATOM 727 CE2 PHE A 44 -9.584 -39.742 16.778 1.00 0.00 C ATOM 728 CZ PHE A 44 -10.953 -39.919 16.728 1.00 0.00 C ATOM 0 H PHE A 44 -10.223 -39.878 12.173 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.071 -37.920 11.677 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.033 -37.306 14.025 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.583 -36.892 13.318 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.605 -38.282 13.855 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.870 -38.907 15.821 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -12.747 -39.531 15.634 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.016 -40.152 17.600 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.457 -40.467 17.510 1.00 0.00 H new ATOM 738 N LYS A 45 -6.512 -39.458 13.224 1.00 0.00 N ATOM 739 CA LYS A 45 -5.574 -40.502 13.626 1.00 0.00 C ATOM 740 C LYS A 45 -4.918 -40.135 14.954 1.00 0.00 C ATOM 741 O LYS A 45 -4.306 -39.074 15.074 1.00 0.00 O ATOM 742 CB LYS A 45 -4.510 -40.703 12.536 1.00 0.00 C ATOM 743 CG LYS A 45 -3.533 -41.838 12.815 1.00 0.00 C ATOM 744 CD LYS A 45 -4.244 -43.188 12.906 1.00 0.00 C ATOM 745 CE LYS A 45 -3.250 -44.319 13.103 1.00 0.00 C ATOM 746 NZ LYS A 45 -3.918 -45.630 13.320 1.00 0.00 N ATOM 0 H LYS A 45 -6.158 -38.508 13.337 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.118 -41.437 13.756 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.011 -40.895 11.587 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.948 -39.776 12.418 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.783 -41.875 12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.004 -41.642 13.748 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.952 -43.174 13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.820 -43.361 11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.601 -44.385 12.230 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.612 -44.094 13.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.198 -46.369 13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.517 -45.578 14.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.507 -45.861 12.494 1.00 0.00 H new ATOM 760 N LEU A 46 -5.066 -41.014 15.941 1.00 0.00 N ATOM 761 CA LEU A 46 -4.508 -40.802 17.275 1.00 0.00 C ATOM 762 C LEU A 46 -3.367 -41.796 17.502 1.00 0.00 C ATOM 763 O LEU A 46 -3.605 -42.995 17.673 1.00 0.00 O ATOM 764 CB LEU A 46 -5.619 -40.984 18.335 1.00 0.00 C ATOM 765 CG LEU A 46 -5.382 -40.335 19.719 1.00 0.00 C ATOM 766 CD1 LEU A 46 -4.160 -40.918 20.426 1.00 0.00 C ATOM 767 CD2 LEU A 46 -5.261 -38.818 19.589 1.00 0.00 C ATOM 0 H LEU A 46 -5.575 -41.892 15.840 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.114 -39.789 17.363 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.546 -40.582 17.927 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.773 -42.053 18.484 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.250 -40.565 20.337 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.033 -40.432 21.393 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.301 -41.989 20.573 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.272 -40.750 19.816 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.095 -38.381 20.573 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.422 -38.574 18.937 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.180 -38.415 19.163 1.00 0.00 H new ATOM 779 N GLU A 47 -2.132 -41.300 17.488 1.00 0.00 N ATOM 780 CA GLU A 47 -0.950 -42.148 17.660 1.00 0.00 C ATOM 781 C GLU A 47 -0.138 -41.744 18.888 1.00 0.00 C ATOM 782 O GLU A 47 0.198 -40.572 19.062 1.00 0.00 O ATOM 783 CB GLU A 47 -0.058 -42.082 16.407 1.00 0.00 C ATOM 784 CG GLU A 47 -0.586 -42.886 15.226 1.00 0.00 C ATOM 785 CD GLU A 47 -0.594 -44.382 15.506 1.00 0.00 C ATOM 786 OE1 GLU A 47 0.457 -45.031 15.316 1.00 0.00 O ATOM 787 OE2 GLU A 47 -1.644 -44.913 15.927 1.00 0.00 O ATOM 0 H GLU A 47 -1.921 -40.310 17.359 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.301 -43.170 17.806 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.049 -41.040 16.105 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.938 -42.444 16.663 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.598 -42.557 14.988 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.029 -42.686 14.348 1.00 0.00 H new ATOM 794 N PHE A 48 0.174 -42.720 19.732 1.00 0.00 N ATOM 795 CA PHE A 48 1.059 -42.507 20.871 1.00 0.00 C ATOM 796 C PHE A 48 2.511 -42.652 20.412 1.00 0.00 C ATOM 797 O PHE A 48 2.972 -43.758 20.125 1.00 0.00 O ATOM 798 CB PHE A 48 0.736 -43.514 21.984 1.00 0.00 C ATOM 799 CG PHE A 48 1.639 -43.416 23.191 1.00 0.00 C ATOM 800 CD1 PHE A 48 1.534 -42.346 24.069 1.00 0.00 C ATOM 801 CD2 PHE A 48 2.594 -44.394 23.448 1.00 0.00 C ATOM 802 CE1 PHE A 48 2.356 -42.254 25.175 1.00 0.00 C ATOM 803 CE2 PHE A 48 3.417 -44.305 24.555 1.00 0.00 C ATOM 804 CZ PHE A 48 3.297 -43.234 25.417 1.00 0.00 C ATOM 0 H PHE A 48 -0.176 -43.674 19.648 1.00 0.00 H new ATOM 0 HA PHE A 48 0.911 -41.503 21.270 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.296 -43.366 22.303 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.802 -44.523 21.576 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.800 -41.575 23.885 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.694 -45.233 22.775 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.262 -41.416 25.850 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.153 -45.072 24.745 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.940 -43.163 26.282 1.00 0.00 H new ATOM 814 N LYS A 49 3.224 -41.535 20.334 1.00 0.00 N ATOM 815 CA LYS A 49 4.571 -41.519 19.762 1.00 0.00 C ATOM 816 C LYS A 49 5.641 -41.846 20.802 1.00 0.00 C ATOM 817 O LYS A 49 6.455 -42.752 20.598 1.00 0.00 O ATOM 818 CB LYS A 49 4.859 -40.154 19.119 1.00 0.00 C ATOM 819 CG LYS A 49 4.047 -39.880 17.853 1.00 0.00 C ATOM 820 CD LYS A 49 4.399 -40.859 16.730 1.00 0.00 C ATOM 821 CE LYS A 49 3.628 -40.555 15.448 1.00 0.00 C ATOM 822 NZ LYS A 49 4.004 -41.472 14.339 1.00 0.00 N ATOM 0 H LYS A 49 2.894 -40.626 20.659 1.00 0.00 H new ATOM 0 HA LYS A 49 4.609 -42.295 18.998 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.653 -39.370 19.847 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.920 -40.094 18.878 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.983 -39.954 18.080 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.231 -38.860 17.517 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.469 -40.812 16.530 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.179 -41.877 17.053 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.558 -40.639 15.640 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.818 -39.525 15.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.457 -41.230 13.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.020 -41.374 14.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.799 -42.453 14.615 1.00 0.00 H new ATOM 836 N ASN A 50 5.641 -41.120 21.916 1.00 0.00 N ATOM 837 CA ASN A 50 6.712 -41.251 22.905 1.00 0.00 C ATOM 838 C ASN A 50 6.232 -40.827 24.291 1.00 0.00 C ATOM 839 O ASN A 50 5.198 -40.169 24.424 1.00 0.00 O ATOM 840 CB ASN A 50 7.918 -40.394 22.481 1.00 0.00 C ATOM 841 CG ASN A 50 9.145 -40.592 23.362 1.00 0.00 C ATOM 842 OD1 ASN A 50 9.420 -41.831 23.753 1.00 0.00 O flip ATOM 843 ND2 ASN A 50 9.870 -39.640 23.655 1.00 0.00 N flip ATOM 0 H ASN A 50 4.920 -40.440 22.158 1.00 0.00 H new ATOM 0 HA ASN A 50 7.010 -42.298 22.954 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.179 -40.633 21.450 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.632 -39.343 22.502 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.630 -38.700 23.339 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.710 -39.792 24.214 1.00 0.00 H new ATOM 850 N THR A 51 6.991 -41.213 25.316 1.00 0.00 N ATOM 851 CA THR A 51 6.703 -40.838 26.695 1.00 0.00 C ATOM 852 C THR A 51 7.950 -40.227 27.336 1.00 0.00 C ATOM 853 O THR A 51 9.080 -40.619 27.017 1.00 0.00 O ATOM 854 CB THR A 51 6.224 -42.055 27.530 1.00 0.00 C ATOM 855 OG1 THR A 51 5.771 -41.628 28.822 1.00 0.00 O ATOM 856 CG2 THR A 51 7.334 -43.089 27.704 1.00 0.00 C ATOM 0 H THR A 51 7.822 -41.795 25.211 1.00 0.00 H new ATOM 0 HA THR A 51 5.898 -40.104 26.682 1.00 0.00 H new ATOM 0 HB THR A 51 5.401 -42.518 26.985 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.798 -41.515 28.807 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.962 -43.927 28.294 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.654 -43.448 26.726 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.180 -42.632 28.217 1.00 0.00 H new ATOM 864 N SER A 52 7.740 -39.254 28.216 1.00 0.00 N ATOM 865 CA SER A 52 8.830 -38.587 28.923 1.00 0.00 C ATOM 866 C SER A 52 9.603 -39.574 29.797 1.00 0.00 C ATOM 867 O SER A 52 9.092 -40.645 30.139 1.00 0.00 O ATOM 868 CB SER A 52 8.259 -37.453 29.790 1.00 0.00 C ATOM 869 OG SER A 52 9.227 -36.936 30.689 1.00 0.00 O ATOM 0 H SER A 52 6.813 -38.906 28.460 1.00 0.00 H new ATOM 0 HA SER A 52 9.521 -38.175 28.187 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.896 -36.651 29.147 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.402 -37.823 30.353 1.00 0.00 H new ATOM 0 HG SER A 52 8.828 -36.217 31.221 1.00 0.00 H new ATOM 875 N LYS A 53 10.832 -39.209 30.162 1.00 0.00 N ATOM 876 CA LYS A 53 11.612 -39.995 31.118 1.00 0.00 C ATOM 877 C LYS A 53 10.882 -40.020 32.459 1.00 0.00 C ATOM 878 O LYS A 53 10.903 -41.015 33.186 1.00 0.00 O ATOM 879 CB LYS A 53 13.018 -39.400 31.294 1.00 0.00 C ATOM 880 CG LYS A 53 13.825 -39.324 30.001 1.00 0.00 C ATOM 881 CD LYS A 53 15.231 -38.773 30.235 1.00 0.00 C ATOM 882 CE LYS A 53 15.206 -37.366 30.827 1.00 0.00 C ATOM 883 NZ LYS A 53 16.574 -36.815 31.008 1.00 0.00 N ATOM 0 H LYS A 53 11.308 -38.377 29.812 1.00 0.00 H new ATOM 0 HA LYS A 53 11.720 -41.011 30.738 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.928 -38.398 31.713 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.568 -40.001 32.019 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.894 -40.317 29.558 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.302 -38.691 29.284 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.773 -39.439 30.906 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.776 -38.759 29.291 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.633 -36.708 30.174 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.693 -37.386 31.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.512 -35.859 31.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.113 -37.429 31.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.055 -36.771 30.087 1.00 0.00 H new ATOM 897 N ASN A 54 10.210 -38.911 32.755 1.00 0.00 N ATOM 898 CA ASN A 54 9.410 -38.777 33.972 1.00 0.00 C ATOM 899 C ASN A 54 8.066 -39.475 33.801 1.00 0.00 C ATOM 900 O ASN A 54 7.307 -39.624 34.759 1.00 0.00 O ATOM 901 CB ASN A 54 9.185 -37.291 34.300 1.00 0.00 C ATOM 902 CG ASN A 54 10.476 -36.548 34.601 1.00 0.00 C ATOM 903 OD1 ASN A 54 11.433 -37.125 35.119 1.00 0.00 O ATOM 904 ND2 ASN A 54 10.514 -35.262 34.282 1.00 0.00 N ATOM 0 H ASN A 54 10.203 -38.082 32.161 1.00 0.00 H new ATOM 0 HA ASN A 54 9.951 -39.245 34.794 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.683 -36.811 33.460 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.517 -37.211 35.158 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.356 -34.716 34.464 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.701 -34.818 33.854 1.00 0.00 H new ATOM 911 N ALA A 55 7.777 -39.879 32.559 1.00 0.00 N ATOM 912 CA ALA A 55 6.517 -40.540 32.211 1.00 0.00 C ATOM 913 C ALA A 55 5.315 -39.660 32.560 1.00 0.00 C ATOM 914 O ALA A 55 4.183 -40.134 32.634 1.00 0.00 O ATOM 915 CB ALA A 55 6.422 -41.895 32.903 1.00 0.00 C ATOM 0 H ALA A 55 8.410 -39.757 31.769 1.00 0.00 H new ATOM 0 HA ALA A 55 6.503 -40.701 31.133 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.481 -42.375 32.635 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.253 -42.525 32.586 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.464 -41.756 33.983 1.00 0.00 H new ATOM 921 N LYS A 56 5.576 -38.373 32.756 1.00 0.00 N ATOM 922 CA LYS A 56 4.535 -37.414 33.110 1.00 0.00 C ATOM 923 C LYS A 56 4.014 -36.706 31.862 1.00 0.00 C ATOM 924 O LYS A 56 2.871 -36.256 31.820 1.00 0.00 O ATOM 925 CB LYS A 56 5.089 -36.396 34.120 1.00 0.00 C ATOM 926 CG LYS A 56 4.071 -35.356 34.585 1.00 0.00 C ATOM 927 CD LYS A 56 4.621 -34.484 35.715 1.00 0.00 C ATOM 928 CE LYS A 56 4.928 -35.302 36.969 1.00 0.00 C ATOM 929 NZ LYS A 56 5.408 -34.450 38.089 1.00 0.00 N ATOM 0 H LYS A 56 6.508 -37.966 32.675 1.00 0.00 H new ATOM 0 HA LYS A 56 3.702 -37.947 33.568 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.466 -36.933 34.990 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.938 -35.881 33.671 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.788 -34.724 33.743 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.166 -35.860 34.923 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.528 -33.982 35.378 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.898 -33.705 35.958 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.031 -35.838 37.280 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.683 -36.053 36.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.604 -35.045 38.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.278 -33.958 37.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.678 -33.750 38.330 1.00 0.00 H new ATOM 943 N PHE A 57 4.864 -36.624 30.842 1.00 0.00 N ATOM 944 CA PHE A 57 4.512 -35.969 29.585 1.00 0.00 C ATOM 945 C PHE A 57 4.452 -37.002 28.464 1.00 0.00 C ATOM 946 O PHE A 57 5.452 -37.658 28.165 1.00 0.00 O ATOM 947 CB PHE A 57 5.542 -34.882 29.244 1.00 0.00 C ATOM 948 CG PHE A 57 5.695 -33.830 30.315 1.00 0.00 C ATOM 949 CD1 PHE A 57 6.606 -33.996 31.348 1.00 0.00 C ATOM 950 CD2 PHE A 57 4.923 -32.676 30.290 1.00 0.00 C ATOM 951 CE1 PHE A 57 6.745 -33.036 32.332 1.00 0.00 C ATOM 952 CE2 PHE A 57 5.060 -31.713 31.272 1.00 0.00 C ATOM 953 CZ PHE A 57 5.972 -31.893 32.293 1.00 0.00 C ATOM 0 H PHE A 57 5.809 -37.006 30.862 1.00 0.00 H new ATOM 0 HA PHE A 57 3.534 -35.500 29.693 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.509 -35.353 29.070 1.00 0.00 H new ATOM 0 HB3 PHE A 57 5.251 -34.398 28.312 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.215 -34.887 31.384 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.208 -32.529 29.494 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.458 -33.180 33.131 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.454 -30.820 31.241 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.080 -31.141 33.060 1.00 0.00 H new ATOM 963 N TYR A 58 3.278 -37.149 27.865 1.00 0.00 N ATOM 964 CA TYR A 58 3.064 -38.110 26.784 1.00 0.00 C ATOM 965 C TYR A 58 2.875 -37.378 25.457 1.00 0.00 C ATOM 966 O TYR A 58 2.051 -36.466 25.356 1.00 0.00 O ATOM 967 CB TYR A 58 1.830 -38.978 27.081 1.00 0.00 C ATOM 968 CG TYR A 58 1.876 -39.684 28.425 1.00 0.00 C ATOM 969 CD1 TYR A 58 2.517 -40.909 28.570 1.00 0.00 C ATOM 970 CD2 TYR A 58 1.272 -39.126 29.548 1.00 0.00 C ATOM 971 CE1 TYR A 58 2.554 -41.555 29.792 1.00 0.00 C ATOM 972 CE2 TYR A 58 1.306 -39.765 30.772 1.00 0.00 C ATOM 973 CZ TYR A 58 1.948 -40.980 30.889 1.00 0.00 C ATOM 974 OH TYR A 58 1.979 -41.623 32.108 1.00 0.00 O ATOM 0 H TYR A 58 2.448 -36.609 28.111 1.00 0.00 H new ATOM 0 HA TYR A 58 3.941 -38.753 26.712 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.940 -38.350 27.043 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.727 -39.725 26.294 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.994 -41.364 27.714 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.767 -38.175 29.461 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.056 -42.507 29.887 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.833 -39.316 31.633 1.00 0.00 H new ATOM 0 HH TYR A 58 2.732 -41.285 32.637 1.00 0.00 H new ATOM 984 N SER A 59 3.646 -37.768 24.450 1.00 0.00 N ATOM 985 CA SER A 59 3.537 -37.177 23.124 1.00 0.00 C ATOM 986 C SER A 59 2.563 -37.967 22.252 1.00 0.00 C ATOM 987 O SER A 59 2.831 -39.118 21.881 1.00 0.00 O ATOM 988 CB SER A 59 4.910 -37.125 22.451 1.00 0.00 C ATOM 989 OG SER A 59 5.794 -36.264 23.148 1.00 0.00 O ATOM 0 H SER A 59 4.357 -38.495 24.528 1.00 0.00 H new ATOM 0 HA SER A 59 3.155 -36.162 23.238 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.334 -38.128 22.408 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.800 -36.781 21.422 1.00 0.00 H new ATOM 0 HG SER A 59 6.663 -36.252 22.696 1.00 0.00 H new ATOM 995 N PHE A 60 1.436 -37.343 21.932 1.00 0.00 N ATOM 996 CA PHE A 60 0.467 -37.912 21.007 1.00 0.00 C ATOM 997 C PHE A 60 0.545 -37.174 19.673 1.00 0.00 C ATOM 998 O PHE A 60 0.909 -35.996 19.625 1.00 0.00 O ATOM 999 CB PHE A 60 -0.961 -37.809 21.573 1.00 0.00 C ATOM 1000 CG PHE A 60 -1.140 -38.459 22.923 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -1.224 -39.841 23.045 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -1.231 -37.685 24.071 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -1.393 -40.433 24.285 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -1.401 -38.272 25.308 1.00 0.00 C ATOM 1005 CZ PHE A 60 -1.481 -39.647 25.415 1.00 0.00 C ATOM 0 H PHE A 60 1.170 -36.432 22.305 1.00 0.00 H new ATOM 0 HA PHE A 60 0.703 -38.966 20.862 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.234 -36.757 21.650 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.654 -38.267 20.867 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.157 -40.460 22.163 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.168 -36.610 23.995 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.456 -41.508 24.367 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.472 -37.657 26.193 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.612 -40.107 26.383 1.00 0.00 H new ATOM 1015 N ASN A 61 0.217 -37.869 18.596 1.00 0.00 N ATOM 1016 CA ASN A 61 0.183 -37.271 17.266 1.00 0.00 C ATOM 1017 C ASN A 61 -1.214 -37.403 16.687 1.00 0.00 C ATOM 1018 O ASN A 61 -1.732 -38.515 16.551 1.00 0.00 O ATOM 1019 CB ASN A 61 1.202 -37.952 16.342 1.00 0.00 C ATOM 1020 CG ASN A 61 1.084 -37.500 14.891 1.00 0.00 C ATOM 1021 OD1 ASN A 61 1.699 -36.515 14.482 1.00 0.00 O ATOM 1022 ND2 ASN A 61 0.298 -38.223 14.102 1.00 0.00 N ATOM 0 H ASN A 61 -0.032 -38.858 18.615 1.00 0.00 H new ATOM 0 HA ASN A 61 0.444 -36.216 17.346 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.209 -37.741 16.702 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.065 -39.032 16.393 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.188 -37.969 13.120 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.196 -39.033 14.477 1.00 0.00 H new ATOM 1029 N VAL A 62 -1.820 -36.269 16.359 1.00 0.00 N ATOM 1030 CA VAL A 62 -3.142 -36.244 15.753 1.00 0.00 C ATOM 1031 C VAL A 62 -3.028 -35.861 14.285 1.00 0.00 C ATOM 1032 O VAL A 62 -2.537 -34.786 13.956 1.00 0.00 O ATOM 1033 CB VAL A 62 -4.083 -35.241 16.473 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -5.458 -35.210 15.803 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.205 -35.587 17.958 1.00 0.00 C ATOM 0 H VAL A 62 -1.410 -35.346 16.505 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.570 -37.242 15.849 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.648 -34.245 16.392 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.101 -34.501 16.324 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.349 -34.904 14.762 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.905 -36.203 15.844 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.869 -34.872 18.445 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.613 -36.592 18.065 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.221 -35.543 18.424 1.00 0.00 H new ATOM 1045 N SER A 63 -3.459 -36.748 13.402 1.00 0.00 N ATOM 1046 CA SER A 63 -3.461 -36.463 11.974 1.00 0.00 C ATOM 1047 C SER A 63 -4.883 -36.527 11.430 1.00 0.00 C ATOM 1048 O SER A 63 -5.516 -37.585 11.435 1.00 0.00 O ATOM 1049 CB SER A 63 -2.539 -37.445 11.245 1.00 0.00 C ATOM 1050 OG SER A 63 -1.212 -37.335 11.744 1.00 0.00 O ATOM 0 H SER A 63 -3.812 -37.673 13.648 1.00 0.00 H new ATOM 0 HA SER A 63 -3.083 -35.455 11.805 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.902 -38.464 11.379 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.551 -37.240 10.174 1.00 0.00 H new ATOM 0 HG SER A 63 -0.632 -37.968 11.272 1.00 0.00 H new ATOM 1056 N MET A 64 -5.384 -35.381 10.985 1.00 0.00 N ATOM 1057 CA MET A 64 -6.755 -35.264 10.502 1.00 0.00 C ATOM 1058 C MET A 64 -6.800 -34.345 9.289 1.00 0.00 C ATOM 1059 O MET A 64 -5.838 -33.627 9.013 1.00 0.00 O ATOM 1060 CB MET A 64 -7.665 -34.718 11.616 1.00 0.00 C ATOM 1061 CG MET A 64 -7.314 -33.302 12.064 1.00 0.00 C ATOM 1062 SD MET A 64 -8.281 -32.758 13.488 1.00 0.00 S ATOM 1063 CE MET A 64 -9.954 -32.922 12.868 1.00 0.00 C ATOM 0 H MET A 64 -4.854 -34.510 10.949 1.00 0.00 H new ATOM 0 HA MET A 64 -7.114 -36.251 10.211 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.698 -34.733 11.268 1.00 0.00 H new ATOM 0 HB3 MET A 64 -7.609 -35.385 12.476 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.254 -33.257 12.312 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.477 -32.613 11.235 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.662 -32.706 13.668 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.108 -32.221 12.048 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.111 -33.939 12.510 1.00 0.00 H new ATOM 1073 N GLU A 65 -7.912 -34.375 8.567 1.00 0.00 N ATOM 1074 CA GLU A 65 -8.076 -33.534 7.386 1.00 0.00 C ATOM 1075 C GLU A 65 -8.303 -32.080 7.785 1.00 0.00 C ATOM 1076 O GLU A 65 -8.834 -31.794 8.861 1.00 0.00 O ATOM 1077 CB GLU A 65 -9.272 -33.995 6.548 1.00 0.00 C ATOM 1078 CG GLU A 65 -9.290 -35.477 6.218 1.00 0.00 C ATOM 1079 CD GLU A 65 -10.515 -35.855 5.404 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -11.635 -35.823 5.959 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -10.368 -36.159 4.202 1.00 0.00 O ATOM 0 H GLU A 65 -8.713 -34.971 8.777 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.161 -33.619 6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.189 -33.746 7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.283 -33.430 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.389 -35.737 5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.273 -36.056 7.141 1.00 0.00 H new ATOM 1088 N VAL A 66 -7.884 -31.176 6.916 1.00 0.00 N ATOM 1089 CA VAL A 66 -8.248 -29.770 7.013 1.00 0.00 C ATOM 1090 C VAL A 66 -8.613 -29.263 5.621 1.00 0.00 C ATOM 1091 O VAL A 66 -7.837 -29.423 4.672 1.00 0.00 O ATOM 1092 CB VAL A 66 -7.107 -28.904 7.620 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -6.959 -29.173 9.119 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -5.783 -29.157 6.899 1.00 0.00 C ATOM 0 H VAL A 66 -7.282 -31.395 6.122 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.100 -29.682 7.687 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.375 -27.856 7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.155 -28.556 9.522 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.892 -28.929 9.626 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.724 -30.225 9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.003 -28.539 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.512 -30.208 6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.889 -28.904 5.844 1.00 0.00 H new ATOM 1104 N SER A 67 -9.795 -28.674 5.499 1.00 0.00 N ATOM 1105 CA SER A 67 -10.297 -28.206 4.212 1.00 0.00 C ATOM 1106 C SER A 67 -9.876 -26.759 3.979 1.00 0.00 C ATOM 1107 O SER A 67 -9.605 -26.349 2.845 1.00 0.00 O ATOM 1108 CB SER A 67 -11.826 -28.345 4.161 1.00 0.00 C ATOM 1109 OG SER A 67 -12.353 -27.938 2.904 1.00 0.00 O ATOM 0 H SER A 67 -10.429 -28.508 6.281 1.00 0.00 H new ATOM 0 HA SER A 67 -9.869 -28.819 3.418 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.103 -29.382 4.353 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.272 -27.744 4.954 1.00 0.00 H new ATOM 0 HG SER A 67 -13.327 -28.042 2.909 1.00 0.00 H new ATOM 1115 N ASN A 68 -9.811 -25.987 5.057 1.00 0.00 N ATOM 1116 CA ASN A 68 -9.367 -24.600 4.983 1.00 0.00 C ATOM 1117 C ASN A 68 -8.307 -24.321 6.036 1.00 0.00 C ATOM 1118 O ASN A 68 -8.021 -25.160 6.892 1.00 0.00 O ATOM 1119 CB ASN A 68 -10.539 -23.628 5.153 1.00 0.00 C ATOM 1120 CG ASN A 68 -11.235 -23.783 6.489 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -10.842 -23.177 7.484 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -12.268 -24.596 6.520 1.00 0.00 N ATOM 0 H ASN A 68 -10.061 -26.299 5.995 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.936 -24.446 3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.175 -22.605 5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.260 -23.790 4.351 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.776 -24.743 7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.562 -25.080 5.672 1.00 0.00 H new ATOM 1129 N GLU A 69 -7.749 -23.127 5.969 1.00 0.00 N ATOM 1130 CA GLU A 69 -6.642 -22.732 6.833 1.00 0.00 C ATOM 1131 C GLU A 69 -7.154 -22.348 8.222 1.00 0.00 C ATOM 1132 O GLU A 69 -6.441 -22.477 9.221 1.00 0.00 O ATOM 1133 CB GLU A 69 -5.881 -21.565 6.188 1.00 0.00 C ATOM 1134 CG GLU A 69 -4.655 -21.099 6.966 1.00 0.00 C ATOM 1135 CD GLU A 69 -3.954 -19.932 6.293 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -4.481 -18.801 6.359 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -2.875 -20.140 5.690 1.00 0.00 O ATOM 0 H GLU A 69 -8.046 -22.401 5.317 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.961 -23.575 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.568 -21.861 5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.563 -20.723 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.955 -20.808 7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.956 -21.929 7.069 1.00 0.00 H new ATOM 1144 N SER A 70 -8.402 -21.896 8.278 1.00 0.00 N ATOM 1145 CA SER A 70 -9.020 -21.497 9.537 1.00 0.00 C ATOM 1146 C SER A 70 -9.158 -22.702 10.469 1.00 0.00 C ATOM 1147 O SER A 70 -8.932 -22.587 11.673 1.00 0.00 O ATOM 1148 CB SER A 70 -10.389 -20.852 9.284 1.00 0.00 C ATOM 1149 OG SER A 70 -10.946 -20.321 10.479 1.00 0.00 O ATOM 0 H SER A 70 -9.007 -21.797 7.463 1.00 0.00 H new ATOM 0 HA SER A 70 -8.378 -20.760 10.019 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.286 -20.057 8.545 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.069 -21.593 8.863 1.00 0.00 H new ATOM 0 HG SER A 70 -11.817 -19.916 10.282 1.00 0.00 H new ATOM 1155 N GLU A 71 -9.512 -23.860 9.904 1.00 0.00 N ATOM 1156 CA GLU A 71 -9.642 -25.092 10.688 1.00 0.00 C ATOM 1157 C GLU A 71 -8.332 -25.417 11.401 1.00 0.00 C ATOM 1158 O GLU A 71 -8.336 -25.856 12.548 1.00 0.00 O ATOM 1159 CB GLU A 71 -10.060 -26.275 9.802 1.00 0.00 C ATOM 1160 CG GLU A 71 -11.490 -26.184 9.285 1.00 0.00 C ATOM 1161 CD GLU A 71 -11.887 -27.381 8.434 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -11.607 -27.366 7.216 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -12.488 -28.336 8.975 1.00 0.00 O ATOM 0 H GLU A 71 -9.713 -23.970 8.910 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.421 -24.927 11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.380 -26.338 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.947 -27.199 10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.173 -26.103 10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.602 -25.273 8.697 1.00 0.00 H new ATOM 1170 N ARG A 72 -7.214 -25.179 10.721 1.00 0.00 N ATOM 1171 CA ARG A 72 -5.894 -25.426 11.301 1.00 0.00 C ATOM 1172 C ARG A 72 -5.687 -24.593 12.571 1.00 0.00 C ATOM 1173 O ARG A 72 -4.937 -24.981 13.464 1.00 0.00 O ATOM 1174 CB ARG A 72 -4.795 -25.139 10.264 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.376 -25.179 10.829 1.00 0.00 C ATOM 1176 CD ARG A 72 -2.316 -25.276 9.736 1.00 0.00 C ATOM 1177 NE ARG A 72 -2.490 -24.271 8.677 1.00 0.00 N ATOM 1178 CZ ARG A 72 -1.479 -23.703 8.011 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -0.225 -23.933 8.372 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -1.724 -22.890 6.994 1.00 0.00 N ATOM 0 H ARG A 72 -7.194 -24.816 9.768 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.832 -26.477 11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.873 -25.867 9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.972 -24.157 9.826 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.199 -24.283 11.424 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.280 -26.032 11.501 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.329 -25.158 10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.348 -26.272 9.293 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.440 -23.990 8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.026 -24.547 9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.541 -23.497 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.686 -22.696 6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.950 -22.458 6.488 1.00 0.00 H new ATOM 1194 N ASN A 73 -6.378 -23.459 12.650 1.00 0.00 N ATOM 1195 CA ASN A 73 -6.323 -22.597 13.832 1.00 0.00 C ATOM 1196 C ASN A 73 -7.370 -23.040 14.854 1.00 0.00 C ATOM 1197 O ASN A 73 -7.082 -23.158 16.045 1.00 0.00 O ATOM 1198 CB ASN A 73 -6.556 -21.128 13.443 1.00 0.00 C ATOM 1199 CG ASN A 73 -5.415 -20.549 12.625 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -4.480 -19.960 13.169 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -5.477 -20.714 11.311 1.00 0.00 N ATOM 0 H ASN A 73 -6.986 -23.113 11.907 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.332 -22.684 14.277 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.482 -21.050 12.873 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.687 -20.534 14.347 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.734 -20.348 10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.267 -21.207 10.896 1.00 0.00 H new ATOM 1208 N GLU A 74 -8.582 -23.299 14.369 1.00 0.00 N ATOM 1209 CA GLU A 74 -9.701 -23.693 15.223 1.00 0.00 C ATOM 1210 C GLU A 74 -9.380 -24.970 15.995 1.00 0.00 C ATOM 1211 O GLU A 74 -9.438 -24.993 17.227 1.00 0.00 O ATOM 1212 CB GLU A 74 -10.966 -23.888 14.372 1.00 0.00 C ATOM 1213 CG GLU A 74 -12.169 -24.384 15.167 1.00 0.00 C ATOM 1214 CD GLU A 74 -13.434 -24.485 14.329 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -13.885 -23.446 13.798 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -13.993 -25.597 14.219 1.00 0.00 O ATOM 0 H GLU A 74 -8.816 -23.242 13.378 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.876 -22.898 15.947 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.222 -22.942 13.895 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.751 -24.599 13.574 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.940 -25.363 15.589 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.347 -23.709 16.004 1.00 0.00 H new ATOM 1223 N ILE A 75 -9.034 -26.023 15.259 1.00 0.00 N ATOM 1224 CA ILE A 75 -8.708 -27.317 15.851 1.00 0.00 C ATOM 1225 C ILE A 75 -7.568 -27.172 16.854 1.00 0.00 C ATOM 1226 O ILE A 75 -7.599 -27.751 17.938 1.00 0.00 O ATOM 1227 CB ILE A 75 -8.317 -28.347 14.760 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -9.460 -28.492 13.742 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -7.969 -29.701 15.384 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -9.122 -29.359 12.551 1.00 0.00 C ATOM 0 H ILE A 75 -8.972 -26.004 14.241 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.596 -27.680 16.368 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.430 -27.984 14.241 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.330 -28.911 14.247 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.744 -27.501 13.387 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.698 -30.405 14.597 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.129 -29.581 16.068 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.831 -30.082 15.931 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.981 -29.409 11.882 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.272 -28.931 12.019 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.868 -30.363 12.892 1.00 0.00 H new ATOM 1242 N PHE A 76 -6.576 -26.367 16.482 1.00 0.00 N ATOM 1243 CA PHE A 76 -5.428 -26.085 17.340 1.00 0.00 C ATOM 1244 C PHE A 76 -5.891 -25.541 18.693 1.00 0.00 C ATOM 1245 O PHE A 76 -5.392 -25.945 19.745 1.00 0.00 O ATOM 1246 CB PHE A 76 -4.499 -25.081 16.641 1.00 0.00 C ATOM 1247 CG PHE A 76 -3.305 -24.664 17.463 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -2.254 -25.543 17.680 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -3.233 -23.392 18.016 1.00 0.00 C ATOM 1250 CE1 PHE A 76 -1.160 -25.162 18.430 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -2.140 -23.009 18.766 1.00 0.00 C ATOM 1252 CZ PHE A 76 -1.102 -23.895 18.973 1.00 0.00 C ATOM 0 H PHE A 76 -6.545 -25.893 15.580 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.880 -27.010 17.519 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.147 -25.519 15.707 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.074 -24.193 16.380 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.292 -26.536 17.257 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.042 -22.694 17.857 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.349 -25.856 18.592 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.097 -22.017 19.191 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.245 -23.597 19.559 1.00 0.00 H new ATOM 1262 N GLN A 77 -6.861 -24.633 18.653 1.00 0.00 N ATOM 1263 CA GLN A 77 -7.419 -24.045 19.869 1.00 0.00 C ATOM 1264 C GLN A 77 -8.223 -25.083 20.652 1.00 0.00 C ATOM 1265 O GLN A 77 -8.131 -25.153 21.879 1.00 0.00 O ATOM 1266 CB GLN A 77 -8.303 -22.844 19.527 1.00 0.00 C ATOM 1267 CG GLN A 77 -7.546 -21.691 18.873 1.00 0.00 C ATOM 1268 CD GLN A 77 -8.425 -20.488 18.575 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -9.433 -20.261 19.403 1.00 0.00 O flip ATOM 1270 NE2 GLN A 77 -8.185 -19.754 17.615 1.00 0.00 N flip ATOM 0 H GLN A 77 -7.279 -24.287 17.789 1.00 0.00 H new ATOM 0 HA GLN A 77 -6.592 -23.705 20.492 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.100 -23.169 18.858 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.779 -22.483 20.439 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.730 -21.383 19.527 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.095 -22.042 17.945 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.399 -19.961 16.999 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.772 -18.939 17.437 1.00 0.00 H new ATOM 1279 N LYS A 78 -8.998 -25.895 19.933 1.00 0.00 N ATOM 1280 CA LYS A 78 -9.797 -26.952 20.555 1.00 0.00 C ATOM 1281 C LYS A 78 -8.895 -27.878 21.370 1.00 0.00 C ATOM 1282 O LYS A 78 -9.226 -28.263 22.492 1.00 0.00 O ATOM 1283 CB LYS A 78 -10.548 -27.762 19.486 1.00 0.00 C ATOM 1284 CG LYS A 78 -11.527 -26.946 18.646 1.00 0.00 C ATOM 1285 CD LYS A 78 -12.691 -26.402 19.476 1.00 0.00 C ATOM 1286 CE LYS A 78 -13.663 -25.595 18.619 1.00 0.00 C ATOM 1287 NZ LYS A 78 -14.787 -25.041 19.419 1.00 0.00 N ATOM 0 H LYS A 78 -9.090 -25.841 18.919 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.528 -26.488 21.218 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.819 -28.227 18.822 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.094 -28.569 19.976 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.997 -26.116 18.179 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.917 -27.568 17.841 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.221 -27.230 19.947 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.304 -25.774 20.278 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.127 -24.779 18.134 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.061 -26.230 17.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.422 -24.501 18.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.315 -25.820 19.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.411 -24.414 20.159 1.00 0.00 H new ATOM 1301 N ILE A 79 -7.740 -28.200 20.798 1.00 0.00 N ATOM 1302 CA ILE A 79 -6.758 -29.067 21.445 1.00 0.00 C ATOM 1303 C ILE A 79 -6.235 -28.434 22.739 1.00 0.00 C ATOM 1304 O ILE A 79 -5.862 -29.131 23.678 1.00 0.00 O ATOM 1305 CB ILE A 79 -5.571 -29.372 20.492 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -6.071 -30.107 19.235 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -4.499 -30.192 21.206 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -4.989 -30.384 18.209 1.00 0.00 C ATOM 0 H ILE A 79 -7.457 -27.869 19.875 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.259 -30.003 21.690 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.123 -28.427 20.186 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.523 -31.052 19.535 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.856 -29.513 18.768 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.677 -30.394 20.519 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.125 -29.634 22.064 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.928 -31.135 21.545 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.422 -30.904 17.355 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.552 -29.442 17.877 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.214 -31.006 18.657 1.00 0.00 H new ATOM 1320 N SER A 80 -6.215 -27.111 22.783 1.00 0.00 N ATOM 1321 CA SER A 80 -5.723 -26.388 23.951 1.00 0.00 C ATOM 1322 C SER A 80 -6.774 -26.375 25.070 1.00 0.00 C ATOM 1323 O SER A 80 -6.441 -26.211 26.249 1.00 0.00 O ATOM 1324 CB SER A 80 -5.350 -24.959 23.546 1.00 0.00 C ATOM 1325 OG SER A 80 -4.741 -24.251 24.617 1.00 0.00 O ATOM 0 H SER A 80 -6.534 -26.512 22.022 1.00 0.00 H new ATOM 0 HA SER A 80 -4.837 -26.896 24.333 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.669 -24.988 22.695 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.244 -24.428 23.221 1.00 0.00 H new ATOM 0 HG SER A 80 -4.515 -23.344 24.323 1.00 0.00 H new ATOM 1331 N GLN A 81 -8.037 -26.582 24.699 1.00 0.00 N ATOM 1332 CA GLN A 81 -9.151 -26.503 25.648 1.00 0.00 C ATOM 1333 C GLN A 81 -9.153 -27.685 26.621 1.00 0.00 C ATOM 1334 O GLN A 81 -9.891 -27.684 27.604 1.00 0.00 O ATOM 1335 CB GLN A 81 -10.487 -26.451 24.893 1.00 0.00 C ATOM 1336 CG GLN A 81 -10.618 -25.253 23.958 1.00 0.00 C ATOM 1337 CD GLN A 81 -11.945 -25.212 23.215 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -12.516 -26.375 22.933 1.00 0.00 O flip ATOM 1339 NE2 GLN A 81 -12.453 -24.141 22.888 1.00 0.00 N flip ATOM 0 H GLN A 81 -8.317 -26.807 23.744 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.023 -25.590 26.229 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.602 -27.367 24.314 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.302 -26.427 25.616 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.505 -24.336 24.536 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.804 -25.276 23.233 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.988 -23.264 23.120 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.340 -24.130 22.384 1.00 0.00 H new ATOM 1348 N LEU A 82 -8.321 -28.685 26.347 1.00 0.00 N ATOM 1349 CA LEU A 82 -8.284 -29.904 27.156 1.00 0.00 C ATOM 1350 C LEU A 82 -7.753 -29.624 28.563 1.00 0.00 C ATOM 1351 O LEU A 82 -8.188 -30.251 29.530 1.00 0.00 O ATOM 1352 CB LEU A 82 -7.396 -30.966 26.490 1.00 0.00 C ATOM 1353 CG LEU A 82 -7.566 -31.107 24.971 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -6.566 -32.112 24.407 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -8.994 -31.495 24.613 1.00 0.00 C ATOM 0 H LEU A 82 -7.661 -28.677 25.569 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.307 -30.273 27.232 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.353 -30.728 26.701 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.603 -31.931 26.953 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.363 -30.137 24.517 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.704 -32.197 23.329 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.552 -31.773 24.618 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.727 -33.085 24.871 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.085 -31.588 23.531 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.240 -32.448 25.081 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.680 -30.727 24.970 1.00 0.00 H new ATOM 1367 N ASP A 83 -6.791 -28.696 28.650 1.00 0.00 N ATOM 1368 CA ASP A 83 -6.061 -28.393 29.898 1.00 0.00 C ATOM 1369 C ASP A 83 -5.069 -29.511 30.245 1.00 0.00 C ATOM 1370 O ASP A 83 -3.964 -29.251 30.728 1.00 0.00 O ATOM 1371 CB ASP A 83 -7.016 -28.145 31.080 1.00 0.00 C ATOM 1372 CG ASP A 83 -6.280 -27.757 32.357 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -5.888 -26.579 32.484 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -6.097 -28.619 33.245 1.00 0.00 O ATOM 0 H ASP A 83 -6.493 -28.129 27.856 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.504 -27.473 29.721 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.718 -27.354 30.815 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.603 -29.045 31.263 1.00 0.00 H new ATOM 1379 N LYS A 84 -5.477 -30.753 29.987 1.00 0.00 N ATOM 1380 CA LYS A 84 -4.620 -31.925 30.179 1.00 0.00 C ATOM 1381 C LYS A 84 -3.339 -31.781 29.354 1.00 0.00 C ATOM 1382 O LYS A 84 -2.294 -32.338 29.694 1.00 0.00 O ATOM 1383 CB LYS A 84 -5.361 -33.207 29.752 1.00 0.00 C ATOM 1384 CG LYS A 84 -6.830 -33.267 30.184 1.00 0.00 C ATOM 1385 CD LYS A 84 -7.528 -34.523 29.659 1.00 0.00 C ATOM 1386 CE LYS A 84 -7.413 -35.704 30.623 1.00 0.00 C ATOM 1387 NZ LYS A 84 -8.253 -35.515 31.836 1.00 0.00 N ATOM 0 H LYS A 84 -6.410 -30.976 29.639 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.364 -31.995 31.236 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.311 -33.296 28.667 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.838 -34.069 30.167 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.890 -33.247 31.272 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.352 -32.382 29.820 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.581 -34.303 29.483 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.096 -34.800 28.697 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.713 -36.619 30.113 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.372 -35.831 30.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.323 -36.414 32.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.820 -34.796 32.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.204 -35.203 31.554 1.00 0.00 H new ATOM 1401 N VAL A 85 -3.441 -31.029 28.262 1.00 0.00 N ATOM 1402 CA VAL A 85 -2.318 -30.795 27.364 1.00 0.00 C ATOM 1403 C VAL A 85 -1.454 -29.638 27.872 1.00 0.00 C ATOM 1404 O VAL A 85 -1.973 -28.637 28.378 1.00 0.00 O ATOM 1405 CB VAL A 85 -2.814 -30.487 25.927 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -3.696 -29.239 25.907 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -1.642 -30.344 24.959 1.00 0.00 C ATOM 0 H VAL A 85 -4.304 -30.566 27.976 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.716 -31.703 27.339 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.419 -31.331 25.596 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.030 -29.046 24.888 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.563 -29.396 26.549 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.125 -28.384 26.270 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.020 -30.128 23.960 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.997 -29.529 25.287 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.071 -31.273 24.939 1.00 0.00 H new ATOM 1417 N VAL A 86 -0.137 -29.787 27.757 1.00 0.00 N ATOM 1418 CA VAL A 86 0.800 -28.753 28.201 1.00 0.00 C ATOM 1419 C VAL A 86 1.477 -28.069 27.014 1.00 0.00 C ATOM 1420 O VAL A 86 1.924 -26.927 27.122 1.00 0.00 O ATOM 1421 CB VAL A 86 1.881 -29.331 29.148 1.00 0.00 C ATOM 1422 CG1 VAL A 86 1.252 -29.813 30.453 1.00 0.00 C ATOM 1423 CG2 VAL A 86 2.656 -30.458 28.465 1.00 0.00 C ATOM 0 H VAL A 86 0.308 -30.614 27.360 1.00 0.00 H new ATOM 0 HA VAL A 86 0.214 -28.015 28.749 1.00 0.00 H new ATOM 0 HB VAL A 86 2.587 -28.535 29.386 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.028 -30.215 31.104 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.759 -28.977 30.950 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.519 -30.591 30.238 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.409 -30.848 29.149 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.968 -31.257 28.189 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.144 -30.073 27.569 1.00 0.00 H new ATOM 1433 N GLN A 87 1.554 -28.768 25.886 1.00 0.00 N ATOM 1434 CA GLN A 87 2.185 -28.220 24.689 1.00 0.00 C ATOM 1435 C GLN A 87 1.411 -28.633 23.440 1.00 0.00 C ATOM 1436 O GLN A 87 1.250 -29.825 23.160 1.00 0.00 O ATOM 1437 CB GLN A 87 3.650 -28.674 24.596 1.00 0.00 C ATOM 1438 CG GLN A 87 4.403 -28.093 23.402 1.00 0.00 C ATOM 1439 CD GLN A 87 5.895 -28.381 23.446 1.00 0.00 C ATOM 1440 OE1 GLN A 87 6.362 -29.399 22.935 1.00 0.00 O ATOM 1441 NE2 GLN A 87 6.656 -27.488 24.060 1.00 0.00 N ATOM 0 H GLN A 87 1.188 -29.714 25.775 1.00 0.00 H new ATOM 0 HA GLN A 87 2.169 -27.132 24.757 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.167 -28.390 25.512 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.680 -29.762 24.537 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.986 -28.502 22.482 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.247 -27.015 23.370 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.234 -26.656 24.472 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.664 -27.632 24.121 1.00 0.00 H new ATOM 1450 N THR A 88 0.912 -27.637 22.717 1.00 0.00 N ATOM 1451 CA THR A 88 0.162 -27.851 21.485 1.00 0.00 C ATOM 1452 C THR A 88 0.959 -27.338 20.286 1.00 0.00 C ATOM 1453 O THR A 88 1.344 -26.167 20.254 1.00 0.00 O ATOM 1454 CB THR A 88 -1.201 -27.117 21.538 1.00 0.00 C ATOM 1455 OG1 THR A 88 -0.998 -25.731 21.864 1.00 0.00 O ATOM 1456 CG2 THR A 88 -2.130 -27.752 22.568 1.00 0.00 C ATOM 0 H THR A 88 1.017 -26.654 22.970 1.00 0.00 H new ATOM 0 HA THR A 88 -0.013 -28.922 21.379 1.00 0.00 H new ATOM 0 HB THR A 88 -1.667 -27.200 20.556 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.008 -25.197 21.042 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.079 -27.215 22.582 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.307 -28.795 22.304 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.669 -27.700 23.554 1.00 0.00 H new ATOM 1464 N LEU A 89 1.225 -28.209 19.316 1.00 0.00 N ATOM 1465 CA LEU A 89 1.919 -27.804 18.095 1.00 0.00 C ATOM 1466 C LEU A 89 0.949 -27.768 16.918 1.00 0.00 C ATOM 1467 O LEU A 89 0.265 -28.754 16.631 1.00 0.00 O ATOM 1468 CB LEU A 89 3.092 -28.744 17.774 1.00 0.00 C ATOM 1469 CG LEU A 89 4.289 -28.683 18.743 1.00 0.00 C ATOM 1470 CD1 LEU A 89 3.942 -29.312 20.090 1.00 0.00 C ATOM 1471 CD2 LEU A 89 5.509 -29.362 18.128 1.00 0.00 C ATOM 0 H LEU A 89 0.972 -29.196 19.351 1.00 0.00 H new ATOM 0 HA LEU A 89 2.320 -26.805 18.263 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.717 -29.767 17.754 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.450 -28.516 16.770 1.00 0.00 H new ATOM 0 HG LEU A 89 4.528 -27.634 18.918 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.806 -29.254 20.752 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.105 -28.775 20.537 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.667 -30.356 19.944 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.345 -29.310 18.826 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.277 -30.406 17.918 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.778 -28.856 17.201 1.00 0.00 H new