USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=24 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= 0.31 X(o=1.3,f=1.4) USER MOD Set 1.2: A 63 SER OG : rot -170:sc= 0.957 USER MOD Set 2.1: A 25 MET CE :methyl 147:sc= -1.42 (180deg=-1.59) USER MOD Set 2.2: A 30 THR OG1 : rot 40:sc= -1.41 USER MOD Single : A 15 TYR OH : rot 71:sc= 0.154 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.904! USER MOD Single : A 21 TYR OH : rot -171:sc= -2.55! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00301 USER MOD Single : A 27 THR OG1 : rot -145:sc= 0.522 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc=-0.00336 (180deg=-0.0615) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00144 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 40 TYR OH : rot 29:sc= -0.313 USER MOD Single : A 41 GLN : amide:sc= -0.796 X(o=-0.8,f=-0.85) 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 : amide:sc= -0.141 K(o=-0.14,f=-3.3!) USER MOD Single : A 51 THR OG1 : rot 126:sc= 0.995 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.416 K(o=-0.42,f=-2.6!) USER MOD Single : A 56 LYS NZ :NH3+ -168:sc=-0.00783 (180deg=-0.126) USER MOD Single : A 58 TYR OH : rot 79:sc= 0.93 USER MOD Single : A 59 SER OG : rot 120:sc= 1.02 USER MOD Single : A 64 MET CE :methyl 174:sc= -1.45 (180deg=-1.59) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0885 USER MOD Single : A 68 ASN : amide:sc= -0.98 K(o=-0.98,f=0.09) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.07! C(o=-1.1!,f=-6!) USER MOD Single : A 77 GLN : amide:sc= -1.97! K(o=-2!,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 : amide:sc= -0.817 K(o=-0.82,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 155:sc= -0.172 (180deg=-0.82) USER MOD Single : A 87 GLN : amide:sc= -0.0649 K(o=-0.065,f=-1.7!) USER MOD Single : A 88 THR OG1 : rot 40:sc= 0.107 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -5.987 -28.866 0.314 1.00 0.00 N ATOM 221 CA TYR A 15 -7.196 -28.970 1.128 1.00 0.00 C ATOM 222 C TYR A 15 -8.357 -29.478 0.266 1.00 0.00 C ATOM 223 O TYR A 15 -8.520 -29.039 -0.875 1.00 0.00 O ATOM 224 CB TYR A 15 -7.556 -27.611 1.750 1.00 0.00 C ATOM 225 CG TYR A 15 -6.587 -27.139 2.821 1.00 0.00 C ATOM 226 CD1 TYR A 15 -6.717 -27.570 4.136 1.00 0.00 C ATOM 227 CD2 TYR A 15 -5.551 -26.258 2.521 1.00 0.00 C ATOM 228 CE1 TYR A 15 -5.846 -27.139 5.120 1.00 0.00 C ATOM 229 CE2 TYR A 15 -4.675 -25.824 3.499 1.00 0.00 C ATOM 230 CZ TYR A 15 -4.828 -26.267 4.797 1.00 0.00 C ATOM 231 OH TYR A 15 -3.959 -25.838 5.777 1.00 0.00 O ATOM 0 HA TYR A 15 -7.010 -29.676 1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -7.599 -26.862 0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -8.555 -27.675 2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.512 -28.254 4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.430 -25.908 1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.963 -27.484 6.137 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.876 -25.142 3.248 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.375 -26.578 6.043 1.00 0.00 H new ATOM 241 N PRO A 16 -9.184 -30.413 0.783 1.00 0.00 N ATOM 242 CA PRO A 16 -9.025 -30.990 2.124 1.00 0.00 C ATOM 243 C PRO A 16 -7.963 -32.088 2.173 1.00 0.00 C ATOM 244 O PRO A 16 -7.560 -32.628 1.137 1.00 0.00 O ATOM 245 CB PRO A 16 -10.409 -31.572 2.419 1.00 0.00 C ATOM 246 CG PRO A 16 -10.958 -31.941 1.081 1.00 0.00 C ATOM 247 CD PRO A 16 -10.364 -30.969 0.086 1.00 0.00 C ATOM 0 HA PRO A 16 -8.690 -30.247 2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.342 -32.441 3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.046 -30.844 2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.695 -32.967 0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.046 -31.881 1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.080 -31.470 -0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.075 -30.187 -0.180 1.00 0.00 H new ATOM 255 N CYS A 17 -7.527 -32.410 3.386 1.00 0.00 N ATOM 256 CA CYS A 17 -6.514 -33.436 3.611 1.00 0.00 C ATOM 257 C CYS A 17 -6.369 -33.711 5.103 1.00 0.00 C ATOM 258 O CYS A 17 -6.850 -32.936 5.936 1.00 0.00 O ATOM 259 CB CYS A 17 -5.159 -33.005 3.024 1.00 0.00 C ATOM 260 SG CYS A 17 -3.831 -34.213 3.258 1.00 0.00 S ATOM 0 H CYS A 17 -7.865 -31.968 4.241 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.834 -34.348 3.107 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.281 -32.818 1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.861 -32.061 3.481 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.734 -33.760 2.728 1.00 0.00 H new ATOM 266 N LEU A 18 -5.721 -34.822 5.430 1.00 0.00 N ATOM 267 CA LEU A 18 -5.436 -35.179 6.814 1.00 0.00 C ATOM 268 C LEU A 18 -4.373 -34.247 7.390 1.00 0.00 C ATOM 269 O LEU A 18 -3.212 -34.295 6.983 1.00 0.00 O ATOM 270 CB LEU A 18 -4.962 -36.639 6.895 1.00 0.00 C ATOM 271 CG LEU A 18 -6.023 -37.690 6.530 1.00 0.00 C ATOM 272 CD1 LEU A 18 -5.377 -39.050 6.275 1.00 0.00 C ATOM 273 CD2 LEU A 18 -7.073 -37.798 7.633 1.00 0.00 C ATOM 0 H LEU A 18 -5.380 -35.498 4.747 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.349 -35.073 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.106 -36.764 6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.612 -36.835 7.908 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.515 -37.369 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.148 -39.777 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.668 -38.967 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.853 -39.378 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.815 -38.547 7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.592 -38.091 8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.563 -36.833 7.765 1.00 0.00 H new ATOM 285 N TRP A 19 -4.780 -33.380 8.309 1.00 0.00 N ATOM 286 CA TRP A 19 -3.848 -32.477 8.975 1.00 0.00 C ATOM 287 C TRP A 19 -3.382 -33.108 10.282 1.00 0.00 C ATOM 288 O TRP A 19 -4.205 -33.546 11.091 1.00 0.00 O ATOM 289 CB TRP A 19 -4.507 -31.116 9.244 1.00 0.00 C ATOM 290 CG TRP A 19 -3.544 -30.066 9.726 1.00 0.00 C ATOM 291 CD1 TRP A 19 -3.267 -29.728 11.022 1.00 0.00 C ATOM 292 CD2 TRP A 19 -2.722 -29.220 8.910 1.00 0.00 C ATOM 293 NE1 TRP A 19 -2.329 -28.723 11.057 1.00 0.00 N ATOM 294 CE2 TRP A 19 -1.977 -28.398 9.775 1.00 0.00 C ATOM 295 CE3 TRP A 19 -2.543 -29.083 7.531 1.00 0.00 C ATOM 296 CZ2 TRP A 19 -1.070 -27.454 9.307 1.00 0.00 C ATOM 297 CZ3 TRP A 19 -1.643 -28.142 7.068 1.00 0.00 C ATOM 298 CH2 TRP A 19 -0.915 -27.339 7.953 1.00 0.00 C ATOM 0 H TRP A 19 -5.750 -33.283 8.611 1.00 0.00 H new ATOM 0 HA TRP A 19 -2.988 -32.311 8.326 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.985 -30.766 8.329 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.295 -31.243 9.987 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.719 -30.184 11.891 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -1.956 -28.290 11.902 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.097 -29.701 6.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.508 -26.833 9.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.499 -28.024 6.004 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.217 -26.615 7.559 1.00 0.00 H new ATOM 309 N ASP A 20 -2.068 -33.171 10.476 1.00 0.00 N ATOM 310 CA ASP A 20 -1.489 -33.786 11.668 1.00 0.00 C ATOM 311 C ASP A 20 -1.113 -32.729 12.707 1.00 0.00 C ATOM 312 O ASP A 20 -0.376 -31.781 12.422 1.00 0.00 O ATOM 313 CB ASP A 20 -0.269 -34.651 11.299 1.00 0.00 C ATOM 314 CG ASP A 20 0.862 -33.864 10.649 1.00 0.00 C ATOM 315 OD1 ASP A 20 0.616 -33.189 9.626 1.00 0.00 O ATOM 316 OD2 ASP A 20 2.013 -33.942 11.135 1.00 0.00 O ATOM 0 H ASP A 20 -1.380 -32.802 9.820 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.245 -34.435 12.111 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.108 -35.136 12.199 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.587 -35.442 10.620 1.00 0.00 H new ATOM 321 N TYR A 21 -1.655 -32.896 13.907 1.00 0.00 N ATOM 322 CA TYR A 21 -1.386 -32.008 15.031 1.00 0.00 C ATOM 323 C TYR A 21 -0.360 -32.638 15.965 1.00 0.00 C ATOM 324 O TYR A 21 -0.453 -33.826 16.284 1.00 0.00 O ATOM 325 CB TYR A 21 -2.676 -31.748 15.823 1.00 0.00 C ATOM 326 CG TYR A 21 -3.758 -31.021 15.048 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.556 -31.691 14.123 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.985 -29.666 15.250 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.544 -31.026 13.423 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.971 -28.998 14.555 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.748 -29.681 13.646 1.00 0.00 C ATOM 332 OH TYR A 21 -6.726 -29.011 12.956 1.00 0.00 O ATOM 0 H TYR A 21 -2.298 -33.656 14.129 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.999 -31.068 14.637 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.074 -32.703 16.168 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.430 -31.166 16.711 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.400 -32.746 13.951 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.379 -29.127 15.963 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.153 -31.556 12.706 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.133 -27.944 14.723 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.641 -28.049 13.120 1.00 0.00 H new ATOM 342 N ARG A 22 0.610 -31.843 16.401 1.00 0.00 N ATOM 343 CA ARG A 22 1.551 -32.273 17.429 1.00 0.00 C ATOM 344 C ARG A 22 1.015 -31.846 18.793 1.00 0.00 C ATOM 345 O ARG A 22 0.991 -30.657 19.117 1.00 0.00 O ATOM 346 CB ARG A 22 2.942 -31.665 17.179 1.00 0.00 C ATOM 347 CG ARG A 22 3.960 -31.945 18.287 1.00 0.00 C ATOM 348 CD ARG A 22 4.334 -33.422 18.382 1.00 0.00 C ATOM 349 NE ARG A 22 5.209 -33.689 19.529 1.00 0.00 N ATOM 350 CZ ARG A 22 6.534 -33.524 19.524 1.00 0.00 C ATOM 351 NH1 ARG A 22 7.160 -33.078 18.445 1.00 0.00 N ATOM 352 NH2 ARG A 22 7.237 -33.812 20.610 1.00 0.00 N ATOM 0 H ARG A 22 0.766 -30.895 16.058 1.00 0.00 H new ATOM 0 HA ARG A 22 1.654 -33.358 17.400 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.331 -32.053 16.238 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.838 -30.586 17.061 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.860 -31.357 18.105 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.551 -31.615 19.242 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.428 -34.022 18.469 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.834 -33.730 17.464 1.00 0.00 H new ATOM 0 HE ARG A 22 4.775 -34.024 20.389 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.629 -32.856 17.603 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.173 -32.957 18.456 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.766 -34.158 21.446 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.249 -33.687 20.610 1.00 0.00 H new ATOM 366 N VAL A 23 0.573 -32.817 19.581 1.00 0.00 N ATOM 367 CA VAL A 23 -0.025 -32.541 20.882 1.00 0.00 C ATOM 368 C VAL A 23 0.882 -33.051 21.994 1.00 0.00 C ATOM 369 O VAL A 23 1.361 -34.181 21.935 1.00 0.00 O ATOM 370 CB VAL A 23 -1.418 -33.213 21.007 1.00 0.00 C ATOM 371 CG1 VAL A 23 -2.098 -32.827 22.319 1.00 0.00 C ATOM 372 CG2 VAL A 23 -2.301 -32.861 19.809 1.00 0.00 C ATOM 0 H VAL A 23 0.617 -33.807 19.341 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.147 -31.462 20.974 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.271 -34.293 21.013 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.072 -33.312 22.380 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.480 -33.148 23.157 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.228 -31.745 22.357 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.272 -33.343 19.919 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.436 -31.780 19.761 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.825 -33.208 18.892 1.00 0.00 H new ATOM 382 N ILE A 24 1.135 -32.212 22.992 1.00 0.00 N ATOM 383 CA ILE A 24 1.947 -32.610 24.139 1.00 0.00 C ATOM 384 C ILE A 24 1.126 -32.519 25.425 1.00 0.00 C ATOM 385 O ILE A 24 0.811 -31.424 25.904 1.00 0.00 O ATOM 386 CB ILE A 24 3.228 -31.744 24.265 1.00 0.00 C ATOM 387 CG1 ILE A 24 4.047 -31.806 22.961 1.00 0.00 C ATOM 388 CG2 ILE A 24 4.073 -32.209 25.454 1.00 0.00 C ATOM 389 CD1 ILE A 24 5.309 -30.967 22.980 1.00 0.00 C ATOM 0 H ILE A 24 0.791 -31.253 23.031 1.00 0.00 H new ATOM 0 HA ILE A 24 2.257 -33.643 23.980 1.00 0.00 H new ATOM 0 HB ILE A 24 2.932 -30.709 24.438 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.317 -32.843 22.763 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.418 -31.477 22.134 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.968 -31.591 25.528 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.492 -32.117 26.371 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.362 -33.250 25.310 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.826 -31.066 22.026 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.048 -29.921 23.144 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.961 -31.309 23.784 1.00 0.00 H new ATOM 401 N MET A 25 0.771 -33.680 25.965 1.00 0.00 N ATOM 402 CA MET A 25 -0.052 -33.772 27.169 1.00 0.00 C ATOM 403 C MET A 25 0.748 -34.414 28.300 1.00 0.00 C ATOM 404 O MET A 25 1.734 -35.102 28.050 1.00 0.00 O ATOM 405 CB MET A 25 -1.316 -34.600 26.884 1.00 0.00 C ATOM 406 CG MET A 25 -2.139 -34.072 25.717 1.00 0.00 C ATOM 407 SD MET A 25 -3.601 -35.072 25.368 1.00 0.00 S ATOM 408 CE MET A 25 -4.553 -34.822 26.862 1.00 0.00 C ATOM 0 H MET A 25 1.045 -34.585 25.582 1.00 0.00 H new ATOM 0 HA MET A 25 -0.349 -32.767 27.470 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.027 -35.630 26.677 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.938 -34.617 27.779 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.449 -33.050 25.933 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.512 -34.034 24.826 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.616 -34.837 26.623 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.330 -35.618 27.573 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.294 -33.859 27.302 1.00 0.00 H new ATOM 418 N THR A 26 0.323 -34.192 29.538 1.00 0.00 N ATOM 419 CA THR A 26 1.014 -34.750 30.702 1.00 0.00 C ATOM 420 C THR A 26 0.354 -36.047 31.166 1.00 0.00 C ATOM 421 O THR A 26 0.628 -36.538 32.264 1.00 0.00 O ATOM 422 CB THR A 26 1.022 -33.740 31.871 1.00 0.00 C ATOM 423 OG1 THR A 26 -0.310 -33.253 32.101 1.00 0.00 O ATOM 424 CG2 THR A 26 1.964 -32.574 31.585 1.00 0.00 C ATOM 0 H THR A 26 -0.497 -33.630 29.765 1.00 0.00 H new ATOM 0 HA THR A 26 2.039 -34.962 30.399 1.00 0.00 H new ATOM 0 HB THR A 26 1.381 -34.252 32.764 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.301 -32.614 32.844 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.949 -31.880 32.425 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.977 -32.951 31.444 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.640 -32.058 30.681 1.00 0.00 H new ATOM 432 N THR A 27 -0.495 -36.613 30.319 1.00 0.00 N ATOM 433 CA THR A 27 -1.262 -37.796 30.682 1.00 0.00 C ATOM 434 C THR A 27 -1.317 -38.792 29.529 1.00 0.00 C ATOM 435 O THR A 27 -1.121 -38.427 28.368 1.00 0.00 O ATOM 436 CB THR A 27 -2.704 -37.413 31.092 1.00 0.00 C ATOM 437 OG1 THR A 27 -3.413 -38.574 31.550 1.00 0.00 O ATOM 438 CG2 THR A 27 -3.457 -36.778 29.926 1.00 0.00 C ATOM 0 H THR A 27 -0.670 -36.271 29.374 1.00 0.00 H new ATOM 0 HA THR A 27 -0.758 -38.261 31.529 1.00 0.00 H new ATOM 0 HB THR A 27 -2.641 -36.684 31.900 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.355 -38.507 31.286 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.467 -36.519 30.243 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.936 -35.877 29.604 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.507 -37.484 29.097 1.00 0.00 H new ATOM 446 N LYS A 28 -1.561 -40.054 29.870 1.00 0.00 N ATOM 447 CA LYS A 28 -1.792 -41.101 28.880 1.00 0.00 C ATOM 448 C LYS A 28 -3.287 -41.327 28.701 1.00 0.00 C ATOM 449 O LYS A 28 -3.711 -42.066 27.810 1.00 0.00 O ATOM 450 CB LYS A 28 -1.110 -42.409 29.310 1.00 0.00 C ATOM 451 CG LYS A 28 0.415 -42.373 29.238 1.00 0.00 C ATOM 452 CD LYS A 28 0.918 -42.198 27.804 1.00 0.00 C ATOM 453 CE LYS A 28 0.438 -43.317 26.882 1.00 0.00 C ATOM 454 NZ LYS A 28 0.892 -44.660 27.336 1.00 0.00 N ATOM 0 H LYS A 28 -1.604 -40.379 30.836 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.363 -40.782 27.930 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.409 -42.643 30.332 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.473 -43.220 28.678 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.788 -41.555 29.855 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.819 -43.296 29.654 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.576 -41.238 27.416 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.008 -42.172 27.804 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.651 -43.302 26.833 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.805 -43.135 25.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.614 -45.376 26.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.927 -44.660 27.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.453 -44.884 28.252 1.00 0.00 H new ATOM 468 N ASP A 29 -4.083 -40.679 29.551 1.00 0.00 N ATOM 469 CA ASP A 29 -5.533 -40.813 29.504 1.00 0.00 C ATOM 470 C ASP A 29 -6.148 -39.577 28.872 1.00 0.00 C ATOM 471 O ASP A 29 -6.289 -38.536 29.521 1.00 0.00 O ATOM 472 CB ASP A 29 -6.114 -41.021 30.910 1.00 0.00 C ATOM 473 CG ASP A 29 -7.625 -41.203 30.880 1.00 0.00 C ATOM 474 OD1 ASP A 29 -8.088 -42.271 30.425 1.00 0.00 O ATOM 475 OD2 ASP A 29 -8.360 -40.279 31.294 1.00 0.00 O ATOM 0 H ASP A 29 -3.743 -40.054 30.282 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.774 -41.688 28.900 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.652 -41.896 31.368 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.864 -40.165 31.536 1.00 0.00 H new ATOM 480 N THR A 30 -6.496 -39.681 27.602 1.00 0.00 N ATOM 481 CA THR A 30 -7.109 -38.577 26.895 1.00 0.00 C ATOM 482 C THR A 30 -8.373 -39.043 26.161 1.00 0.00 C ATOM 483 O THR A 30 -8.316 -39.673 25.102 1.00 0.00 O ATOM 484 CB THR A 30 -6.100 -37.901 25.928 1.00 0.00 C ATOM 485 OG1 THR A 30 -6.700 -36.763 25.300 1.00 0.00 O ATOM 486 CG2 THR A 30 -5.579 -38.870 24.866 1.00 0.00 C ATOM 0 H THR A 30 -6.363 -40.522 27.040 1.00 0.00 H new ATOM 0 HA THR A 30 -7.407 -37.825 27.625 1.00 0.00 H new ATOM 0 HB THR A 30 -5.247 -37.580 26.526 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.246 -36.278 25.954 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.877 -38.351 24.213 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.074 -39.705 25.352 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.414 -39.245 24.275 1.00 0.00 H new ATOM 494 N SER A 31 -9.521 -38.761 26.769 1.00 0.00 N ATOM 495 CA SER A 31 -10.811 -39.097 26.187 1.00 0.00 C ATOM 496 C SER A 31 -11.393 -37.873 25.490 1.00 0.00 C ATOM 497 O SER A 31 -11.902 -37.966 24.372 1.00 0.00 O ATOM 498 CB SER A 31 -11.764 -39.604 27.282 1.00 0.00 C ATOM 499 OG SER A 31 -13.022 -40.004 26.749 1.00 0.00 O ATOM 0 H SER A 31 -9.581 -38.295 27.675 1.00 0.00 H new ATOM 0 HA SER A 31 -10.682 -39.890 25.450 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.305 -40.446 27.801 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.917 -38.819 28.022 1.00 0.00 H new ATOM 0 HG SER A 31 -13.599 -40.321 27.475 1.00 0.00 H new ATOM 505 N THR A 32 -11.279 -36.719 26.152 1.00 0.00 N ATOM 506 CA THR A 32 -11.796 -35.459 25.622 1.00 0.00 C ATOM 507 C THR A 32 -11.233 -35.175 24.225 1.00 0.00 C ATOM 508 O THR A 32 -11.885 -34.538 23.394 1.00 0.00 O ATOM 509 CB THR A 32 -11.452 -34.291 26.577 1.00 0.00 C ATOM 510 OG1 THR A 32 -11.826 -34.644 27.917 1.00 0.00 O ATOM 511 CG2 THR A 32 -12.173 -33.008 26.173 1.00 0.00 C ATOM 0 H THR A 32 -10.829 -36.634 27.063 1.00 0.00 H new ATOM 0 HA THR A 32 -12.879 -35.548 25.543 1.00 0.00 H new ATOM 0 HB THR A 32 -10.379 -34.111 26.519 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.607 -33.906 28.523 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.908 -32.209 26.865 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.876 -32.726 25.163 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.250 -33.171 26.202 1.00 0.00 H new ATOM 519 N LEU A 33 -10.023 -35.677 23.974 1.00 0.00 N ATOM 520 CA LEU A 33 -9.372 -35.523 22.677 1.00 0.00 C ATOM 521 C LEU A 33 -10.207 -36.182 21.581 1.00 0.00 C ATOM 522 O LEU A 33 -10.431 -35.598 20.525 1.00 0.00 O ATOM 523 CB LEU A 33 -7.965 -36.134 22.720 1.00 0.00 C ATOM 524 CG LEU A 33 -7.116 -35.961 21.449 1.00 0.00 C ATOM 525 CD1 LEU A 33 -6.980 -34.484 21.082 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.740 -36.600 21.641 1.00 0.00 C ATOM 0 H LEU A 33 -9.473 -36.196 24.658 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.286 -34.460 22.451 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.424 -35.693 23.557 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.059 -37.200 22.928 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.621 -36.466 20.626 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.376 -34.387 20.180 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.969 -34.061 20.903 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.499 -33.949 21.900 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.149 -36.471 20.734 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.230 -36.122 22.478 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.858 -37.664 21.848 1.00 0.00 H new ATOM 538 N LYS A 34 -10.684 -37.394 21.848 1.00 0.00 N ATOM 539 CA LYS A 34 -11.516 -38.115 20.889 1.00 0.00 C ATOM 540 C LYS A 34 -12.914 -37.505 20.841 1.00 0.00 C ATOM 541 O LYS A 34 -13.547 -37.469 19.787 1.00 0.00 O ATOM 542 CB LYS A 34 -11.593 -39.607 21.244 1.00 0.00 C ATOM 543 CG LYS A 34 -10.252 -40.330 21.136 1.00 0.00 C ATOM 544 CD LYS A 34 -10.365 -41.823 21.447 1.00 0.00 C ATOM 545 CE LYS A 34 -10.835 -42.081 22.874 1.00 0.00 C ATOM 546 NZ LYS A 34 -10.843 -43.532 23.202 1.00 0.00 N ATOM 0 H LYS A 34 -10.510 -37.897 22.718 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.060 -38.025 19.903 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.972 -39.711 22.261 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.312 -40.092 20.585 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.853 -40.201 20.130 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.540 -39.872 21.822 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.061 -42.286 20.748 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.396 -42.298 21.294 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.183 -41.555 23.572 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.837 -41.674 23.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.169 -43.665 24.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.484 -44.031 22.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.882 -43.916 23.102 1.00 0.00 H new ATOM 560 N GLU A 35 -13.378 -37.010 21.988 1.00 0.00 N ATOM 561 CA GLU A 35 -14.700 -36.388 22.090 1.00 0.00 C ATOM 562 C GLU A 35 -14.843 -35.240 21.091 1.00 0.00 C ATOM 563 O GLU A 35 -15.836 -35.160 20.362 1.00 0.00 O ATOM 564 CB GLU A 35 -14.941 -35.874 23.517 1.00 0.00 C ATOM 565 CG GLU A 35 -14.918 -36.967 24.582 1.00 0.00 C ATOM 566 CD GLU A 35 -16.060 -37.961 24.438 1.00 0.00 C ATOM 567 OE1 GLU A 35 -17.167 -37.672 24.938 1.00 0.00 O ATOM 568 OE2 GLU A 35 -15.854 -39.037 23.840 1.00 0.00 O ATOM 0 H GLU A 35 -12.856 -37.027 22.864 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.447 -37.146 21.854 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.181 -35.130 23.758 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.905 -35.367 23.552 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.969 -37.501 24.526 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.967 -36.506 25.569 1.00 0.00 H new ATOM 575 N LEU A 36 -13.838 -34.361 21.044 1.00 0.00 N ATOM 576 CA LEU A 36 -13.875 -33.209 20.145 1.00 0.00 C ATOM 577 C LEU A 36 -13.844 -33.677 18.692 1.00 0.00 C ATOM 578 O LEU A 36 -14.403 -33.031 17.813 1.00 0.00 O ATOM 579 CB LEU A 36 -12.717 -32.226 20.449 1.00 0.00 C ATOM 580 CG LEU A 36 -11.301 -32.654 19.994 1.00 0.00 C ATOM 581 CD1 LEU A 36 -11.016 -32.210 18.558 1.00 0.00 C ATOM 582 CD2 LEU A 36 -10.238 -32.105 20.940 1.00 0.00 C ATOM 0 H LEU A 36 -12.995 -34.426 21.615 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.807 -32.668 20.310 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.950 -31.270 19.979 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.691 -32.054 21.525 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.264 -33.743 20.023 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.013 -32.527 18.271 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.746 -32.662 17.886 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.086 -31.124 18.492 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.251 -32.419 20.600 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.289 -31.016 20.952 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.414 -32.487 21.946 1.00 0.00 H new ATOM 594 N LEU A 37 -13.190 -34.810 18.451 1.00 0.00 N ATOM 595 CA LEU A 37 -13.101 -35.384 17.109 1.00 0.00 C ATOM 596 C LEU A 37 -14.437 -36.016 16.706 1.00 0.00 C ATOM 597 O LEU A 37 -14.850 -35.949 15.542 1.00 0.00 O ATOM 598 CB LEU A 37 -11.976 -36.431 17.065 1.00 0.00 C ATOM 599 CG LEU A 37 -10.580 -35.907 17.457 1.00 0.00 C ATOM 600 CD1 LEU A 37 -9.581 -37.054 17.582 1.00 0.00 C ATOM 601 CD2 LEU A 37 -10.084 -34.875 16.447 1.00 0.00 C ATOM 0 H LEU A 37 -12.711 -35.352 19.170 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.873 -34.589 16.399 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.239 -37.253 17.731 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.923 -36.843 16.057 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.666 -35.422 18.430 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.604 -36.657 17.859 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.921 -37.750 18.349 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.503 -37.575 16.627 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.097 -34.520 16.745 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.022 -35.333 15.460 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.778 -34.035 16.415 1.00 0.00 H new ATOM 613 N GLU A 38 -15.119 -36.607 17.687 1.00 0.00 N ATOM 614 CA GLU A 38 -16.399 -37.277 17.461 1.00 0.00 C ATOM 615 C GLU A 38 -17.484 -36.284 17.040 1.00 0.00 C ATOM 616 O GLU A 38 -18.447 -36.661 16.379 1.00 0.00 O ATOM 617 CB GLU A 38 -16.835 -38.032 18.727 1.00 0.00 C ATOM 618 CG GLU A 38 -15.989 -39.265 19.039 1.00 0.00 C ATOM 619 CD GLU A 38 -16.246 -40.422 18.084 1.00 0.00 C ATOM 620 OE1 GLU A 38 -17.238 -41.158 18.286 1.00 0.00 O ATOM 621 OE2 GLU A 38 -15.454 -40.613 17.136 1.00 0.00 O ATOM 0 H GLU A 38 -14.802 -36.635 18.656 1.00 0.00 H new ATOM 0 HA GLU A 38 -16.263 -37.990 16.648 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.792 -37.350 19.577 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.875 -38.337 18.615 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.934 -38.995 18.997 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.194 -39.591 20.059 1.00 0.00 H new ATOM 628 N THR A 39 -17.327 -35.016 17.415 1.00 0.00 N ATOM 629 CA THR A 39 -18.301 -33.991 17.040 1.00 0.00 C ATOM 630 C THR A 39 -18.358 -33.852 15.518 1.00 0.00 C ATOM 631 O THR A 39 -19.427 -33.647 14.932 1.00 0.00 O ATOM 632 CB THR A 39 -17.962 -32.618 17.669 1.00 0.00 C ATOM 633 OG1 THR A 39 -16.727 -32.125 17.138 1.00 0.00 O ATOM 634 CG2 THR A 39 -17.859 -32.719 19.190 1.00 0.00 C ATOM 0 H THR A 39 -16.544 -34.675 17.972 1.00 0.00 H new ATOM 0 HA THR A 39 -19.272 -34.309 17.421 1.00 0.00 H new ATOM 0 HB THR A 39 -18.768 -31.927 17.421 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.979 -32.498 17.649 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.620 -31.740 19.604 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.810 -33.063 19.597 1.00 0.00 H new ATOM 0 HG23 THR A 39 -17.074 -33.427 19.455 1.00 0.00 H new ATOM 642 N TYR A 40 -17.195 -33.990 14.883 1.00 0.00 N ATOM 643 CA TYR A 40 -17.080 -33.873 13.433 1.00 0.00 C ATOM 644 C TYR A 40 -17.494 -35.177 12.748 1.00 0.00 C ATOM 645 O TYR A 40 -17.945 -35.167 11.601 1.00 0.00 O ATOM 646 CB TYR A 40 -15.643 -33.509 13.039 1.00 0.00 C ATOM 647 CG TYR A 40 -15.145 -32.214 13.659 1.00 0.00 C ATOM 648 CD1 TYR A 40 -15.400 -30.985 13.059 1.00 0.00 C ATOM 649 CD2 TYR A 40 -14.420 -32.223 14.846 1.00 0.00 C ATOM 650 CE1 TYR A 40 -14.948 -29.806 13.625 1.00 0.00 C ATOM 651 CE2 TYR A 40 -13.965 -31.049 15.416 1.00 0.00 C ATOM 652 CZ TYR A 40 -14.232 -29.844 14.802 1.00 0.00 C ATOM 653 OH TYR A 40 -13.785 -28.672 15.370 1.00 0.00 O ATOM 0 H TYR A 40 -16.313 -34.185 15.356 1.00 0.00 H new ATOM 0 HA TYR A 40 -17.751 -33.080 13.103 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.979 -34.321 13.334 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.584 -33.427 11.954 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -15.960 -30.951 12.136 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.209 -33.165 15.331 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.155 -28.860 13.147 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.403 -31.076 16.338 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.393 -27.941 15.133 1.00 0.00 H new ATOM 663 N GLN A 41 -17.324 -36.295 13.461 1.00 0.00 N ATOM 664 CA GLN A 41 -17.669 -37.625 12.944 1.00 0.00 C ATOM 665 C GLN A 41 -16.930 -37.938 11.643 1.00 0.00 C ATOM 666 O GLN A 41 -17.435 -38.666 10.786 1.00 0.00 O ATOM 667 CB GLN A 41 -19.187 -37.763 12.745 1.00 0.00 C ATOM 668 CG GLN A 41 -19.968 -37.906 14.046 1.00 0.00 C ATOM 669 CD GLN A 41 -19.546 -39.124 14.857 1.00 0.00 C ATOM 670 OE1 GLN A 41 -19.107 -40.137 14.307 1.00 0.00 O ATOM 671 NE2 GLN A 41 -19.674 -39.037 16.171 1.00 0.00 N ATOM 0 H GLN A 41 -16.945 -36.305 14.408 1.00 0.00 H new ATOM 0 HA GLN A 41 -17.349 -38.352 13.691 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -19.554 -36.890 12.206 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -19.384 -38.632 12.117 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -19.829 -37.008 14.648 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -21.032 -37.977 13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -20.041 -38.184 16.592 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -19.406 -39.823 16.763 1.00 0.00 H new ATOM 680 N ARG A 42 -15.723 -37.404 11.511 1.00 0.00 N ATOM 681 CA ARG A 42 -14.882 -37.679 10.352 1.00 0.00 C ATOM 682 C ARG A 42 -13.693 -38.537 10.787 1.00 0.00 C ATOM 683 O ARG A 42 -13.264 -38.451 11.942 1.00 0.00 O ATOM 684 CB ARG A 42 -14.414 -36.366 9.701 1.00 0.00 C ATOM 685 CG ARG A 42 -13.529 -35.500 10.592 1.00 0.00 C ATOM 686 CD ARG A 42 -13.259 -34.138 9.962 1.00 0.00 C ATOM 687 NE ARG A 42 -14.483 -33.339 9.838 1.00 0.00 N ATOM 688 CZ ARG A 42 -14.630 -32.305 9.005 1.00 0.00 C ATOM 689 NH1 ARG A 42 -13.647 -31.949 8.183 1.00 0.00 N ATOM 690 NH2 ARG A 42 -15.771 -31.632 8.989 1.00 0.00 N ATOM 0 H ARG A 42 -15.302 -36.775 12.195 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.457 -38.227 9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.868 -36.602 8.788 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.290 -35.788 9.408 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.009 -35.364 11.561 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.584 -36.011 10.774 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.532 -33.596 10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.814 -34.276 8.976 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.276 -33.590 10.428 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.769 -32.467 8.184 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.772 -31.158 7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.532 -31.904 9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.888 -30.842 8.355 1.00 0.00 H new ATOM 704 N PRO A 43 -13.161 -39.390 9.888 1.00 0.00 N ATOM 705 CA PRO A 43 -12.073 -40.321 10.224 1.00 0.00 C ATOM 706 C PRO A 43 -10.842 -39.593 10.763 1.00 0.00 C ATOM 707 O PRO A 43 -10.456 -38.538 10.245 1.00 0.00 O ATOM 708 CB PRO A 43 -11.759 -41.026 8.890 1.00 0.00 C ATOM 709 CG PRO A 43 -12.355 -40.151 7.839 1.00 0.00 C ATOM 710 CD PRO A 43 -13.560 -39.512 8.476 1.00 0.00 C ATOM 0 HA PRO A 43 -12.360 -41.015 11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.684 -41.138 8.747 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.191 -42.026 8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.642 -39.397 7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.638 -40.731 6.961 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.783 -38.541 8.034 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -14.452 -40.127 8.360 1.00 0.00 H new ATOM 718 N PHE A 44 -10.238 -40.154 11.806 1.00 0.00 N ATOM 719 CA PHE A 44 -9.066 -39.553 12.426 1.00 0.00 C ATOM 720 C PHE A 44 -8.092 -40.624 12.912 1.00 0.00 C ATOM 721 O PHE A 44 -8.494 -41.734 13.270 1.00 0.00 O ATOM 722 CB PHE A 44 -9.478 -38.629 13.588 1.00 0.00 C ATOM 723 CG PHE A 44 -10.209 -39.322 14.720 1.00 0.00 C ATOM 724 CD1 PHE A 44 -9.505 -39.985 15.717 1.00 0.00 C ATOM 725 CD2 PHE A 44 -11.598 -39.297 14.795 1.00 0.00 C ATOM 726 CE1 PHE A 44 -10.165 -40.603 16.760 1.00 0.00 C ATOM 727 CE2 PHE A 44 -12.262 -39.918 15.838 1.00 0.00 C ATOM 728 CZ PHE A 44 -11.543 -40.571 16.820 1.00 0.00 C ATOM 0 H PHE A 44 -10.543 -41.026 12.239 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.559 -38.952 11.671 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.584 -38.152 13.989 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.114 -37.835 13.195 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.426 -40.017 15.676 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.165 -38.787 14.030 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.603 -41.112 17.529 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -13.341 -39.892 15.884 1.00 0.00 H new ATOM 0 HZ PHE A 44 -12.059 -41.057 17.635 1.00 0.00 H new ATOM 738 N LYS A 45 -6.812 -40.276 12.921 1.00 0.00 N ATOM 739 CA LYS A 45 -5.757 -41.171 13.377 1.00 0.00 C ATOM 740 C LYS A 45 -5.149 -40.629 14.668 1.00 0.00 C ATOM 741 O LYS A 45 -4.543 -39.554 14.666 1.00 0.00 O ATOM 742 CB LYS A 45 -4.663 -41.300 12.302 1.00 0.00 C ATOM 743 CG LYS A 45 -3.587 -42.331 12.640 1.00 0.00 C ATOM 744 CD LYS A 45 -2.399 -42.273 11.678 1.00 0.00 C ATOM 745 CE LYS A 45 -1.603 -40.979 11.830 1.00 0.00 C ATOM 746 NZ LYS A 45 -0.355 -40.993 11.023 1.00 0.00 N ATOM 0 H LYS A 45 -6.476 -39.364 12.612 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.185 -42.156 13.561 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.128 -41.571 11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.190 -40.328 12.159 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.235 -42.164 13.658 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.024 -43.329 12.614 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.744 -43.125 11.859 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.758 -42.359 10.653 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.222 -40.135 11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.354 -40.828 12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.154 -40.096 11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.248 -41.782 11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.593 -41.110 10.017 1.00 0.00 H new ATOM 760 N LEU A 46 -5.323 -41.363 15.762 1.00 0.00 N ATOM 761 CA LEU A 46 -4.784 -40.961 17.060 1.00 0.00 C ATOM 762 C LEU A 46 -3.631 -41.892 17.422 1.00 0.00 C ATOM 763 O LEU A 46 -3.845 -43.059 17.758 1.00 0.00 O ATOM 764 CB LEU A 46 -5.897 -40.988 18.130 1.00 0.00 C ATOM 765 CG LEU A 46 -5.570 -40.299 19.476 1.00 0.00 C ATOM 766 CD1 LEU A 46 -6.853 -39.978 20.238 1.00 0.00 C ATOM 767 CD2 LEU A 46 -4.654 -41.164 20.346 1.00 0.00 C ATOM 0 H LEU A 46 -5.836 -42.245 15.777 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.406 -39.940 17.012 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.786 -40.516 17.711 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.153 -42.028 18.331 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.044 -39.372 19.247 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.604 -39.494 21.182 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.474 -39.310 19.640 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.399 -40.900 20.436 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.447 -40.647 21.283 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.144 -42.114 20.557 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.718 -41.348 19.818 1.00 0.00 H new ATOM 779 N GLU A 47 -2.412 -41.371 17.340 1.00 0.00 N ATOM 780 CA GLU A 47 -1.208 -42.178 17.517 1.00 0.00 C ATOM 781 C GLU A 47 -0.309 -41.599 18.604 1.00 0.00 C ATOM 782 O GLU A 47 -0.347 -40.400 18.884 1.00 0.00 O ATOM 783 CB GLU A 47 -0.433 -42.252 16.194 1.00 0.00 C ATOM 784 CG GLU A 47 -1.136 -43.057 15.107 1.00 0.00 C ATOM 785 CD GLU A 47 -1.092 -44.555 15.365 1.00 0.00 C ATOM 786 OE1 GLU A 47 -0.126 -45.205 14.914 1.00 0.00 O ATOM 787 OE2 GLU A 47 -2.016 -45.090 16.011 1.00 0.00 O ATOM 0 H GLU A 47 -2.230 -40.385 17.151 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.513 -43.179 17.823 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.261 -41.240 15.828 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.546 -42.693 16.383 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.175 -42.735 15.037 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.670 -42.844 14.145 1.00 0.00 H new ATOM 794 N PHE A 48 0.496 -42.462 19.210 1.00 0.00 N ATOM 795 CA PHE A 48 1.494 -42.045 20.184 1.00 0.00 C ATOM 796 C PHE A 48 2.828 -41.814 19.470 1.00 0.00 C ATOM 797 O PHE A 48 3.471 -42.764 19.021 1.00 0.00 O ATOM 798 CB PHE A 48 1.637 -43.115 21.279 1.00 0.00 C ATOM 799 CG PHE A 48 2.653 -42.783 22.345 1.00 0.00 C ATOM 800 CD1 PHE A 48 2.328 -41.935 23.394 1.00 0.00 C ATOM 801 CD2 PHE A 48 3.932 -43.323 22.299 1.00 0.00 C ATOM 802 CE1 PHE A 48 3.255 -41.633 24.373 1.00 0.00 C ATOM 803 CE2 PHE A 48 4.862 -43.024 23.276 1.00 0.00 C ATOM 804 CZ PHE A 48 4.522 -42.180 24.313 1.00 0.00 C ATOM 0 H PHE A 48 0.475 -43.468 19.040 1.00 0.00 H new ATOM 0 HA PHE A 48 1.182 -41.114 20.658 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.667 -43.265 21.753 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.913 -44.061 20.812 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.338 -41.506 23.446 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.203 -43.985 21.490 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.990 -40.971 25.184 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.853 -43.450 23.228 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.247 -41.947 25.079 1.00 0.00 H new ATOM 814 N LYS A 49 3.224 -40.551 19.346 1.00 0.00 N ATOM 815 CA LYS A 49 4.442 -40.195 18.621 1.00 0.00 C ATOM 816 C LYS A 49 5.687 -40.532 19.433 1.00 0.00 C ATOM 817 O LYS A 49 6.509 -41.350 19.014 1.00 0.00 O ATOM 818 CB LYS A 49 4.440 -38.701 18.251 1.00 0.00 C ATOM 819 CG LYS A 49 3.536 -38.354 17.073 1.00 0.00 C ATOM 820 CD LYS A 49 3.996 -39.045 15.789 1.00 0.00 C ATOM 821 CE LYS A 49 3.098 -38.710 14.603 1.00 0.00 C ATOM 822 NZ LYS A 49 3.482 -39.461 13.380 1.00 0.00 N ATOM 0 H LYS A 49 2.720 -39.756 19.738 1.00 0.00 H new ATOM 0 HA LYS A 49 4.463 -40.784 17.704 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.125 -38.123 19.120 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.459 -38.394 18.016 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.512 -38.650 17.300 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.530 -37.274 16.924 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.020 -38.746 15.564 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.006 -40.124 15.942 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.063 -38.938 14.857 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.149 -37.640 14.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.845 -39.202 12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.461 -39.225 13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.409 -40.482 13.562 1.00 0.00 H new ATOM 836 N ASN A 50 5.809 -39.911 20.598 1.00 0.00 N ATOM 837 CA ASN A 50 7.014 -40.027 21.417 1.00 0.00 C ATOM 838 C ASN A 50 6.736 -39.491 22.817 1.00 0.00 C ATOM 839 O ASN A 50 5.686 -38.898 23.058 1.00 0.00 O ATOM 840 CB ASN A 50 8.165 -39.236 20.762 1.00 0.00 C ATOM 841 CG ASN A 50 9.485 -39.351 21.510 1.00 0.00 C ATOM 842 OD1 ASN A 50 9.792 -40.382 22.109 1.00 0.00 O ATOM 843 ND2 ASN A 50 10.273 -38.288 21.488 1.00 0.00 N ATOM 0 H ASN A 50 5.085 -39.317 21.002 1.00 0.00 H new ATOM 0 HA ASN A 50 7.303 -41.075 21.491 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.303 -39.591 19.741 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.883 -38.185 20.699 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.167 -38.306 21.978 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.986 -37.451 20.981 1.00 0.00 H new ATOM 850 N THR A 51 7.664 -39.707 23.738 1.00 0.00 N ATOM 851 CA THR A 51 7.563 -39.160 25.082 1.00 0.00 C ATOM 852 C THR A 51 8.943 -38.745 25.574 1.00 0.00 C ATOM 853 O THR A 51 9.950 -39.362 25.213 1.00 0.00 O ATOM 854 CB THR A 51 6.936 -40.172 26.075 1.00 0.00 C ATOM 855 OG1 THR A 51 6.780 -39.567 27.367 1.00 0.00 O ATOM 856 CG2 THR A 51 7.784 -41.435 26.201 1.00 0.00 C ATOM 0 H THR A 51 8.503 -40.263 23.576 1.00 0.00 H new ATOM 0 HA THR A 51 6.907 -38.291 25.036 1.00 0.00 H new ATOM 0 HB THR A 51 5.959 -40.455 25.682 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.850 -39.659 27.661 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.313 -42.121 26.905 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.867 -41.916 25.227 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.778 -41.171 26.561 1.00 0.00 H new ATOM 864 N SER A 52 8.989 -37.678 26.364 1.00 0.00 N ATOM 865 CA SER A 52 10.232 -37.226 26.974 1.00 0.00 C ATOM 866 C SER A 52 10.829 -38.356 27.819 1.00 0.00 C ATOM 867 O SER A 52 10.092 -39.194 28.343 1.00 0.00 O ATOM 868 CB SER A 52 9.966 -35.983 27.835 1.00 0.00 C ATOM 869 OG SER A 52 11.169 -35.446 28.362 1.00 0.00 O ATOM 0 H SER A 52 8.176 -37.108 26.597 1.00 0.00 H new ATOM 0 HA SER A 52 10.947 -36.959 26.196 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.461 -35.226 27.236 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.294 -36.243 28.653 1.00 0.00 H new ATOM 0 HG SER A 52 10.965 -34.655 28.903 1.00 0.00 H new ATOM 875 N LYS A 53 12.152 -38.381 27.943 1.00 0.00 N ATOM 876 CA LYS A 53 12.844 -39.449 28.669 1.00 0.00 C ATOM 877 C LYS A 53 12.293 -39.612 30.091 1.00 0.00 C ATOM 878 O LYS A 53 12.226 -40.724 30.622 1.00 0.00 O ATOM 879 CB LYS A 53 14.354 -39.171 28.718 1.00 0.00 C ATOM 880 CG LYS A 53 14.729 -37.895 29.471 1.00 0.00 C ATOM 881 CD LYS A 53 16.245 -37.728 29.579 1.00 0.00 C ATOM 882 CE LYS A 53 16.628 -36.529 30.441 1.00 0.00 C ATOM 883 NZ LYS A 53 18.103 -36.410 30.604 1.00 0.00 N ATOM 0 H LYS A 53 12.772 -37.673 27.550 1.00 0.00 H new ATOM 0 HA LYS A 53 12.668 -40.381 28.132 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.853 -40.018 29.188 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.733 -39.103 27.698 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.303 -37.032 28.959 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.293 -37.920 30.470 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.680 -38.633 30.003 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.668 -37.608 28.582 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.238 -35.617 29.988 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.161 -36.623 31.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.321 -35.583 31.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.472 -37.269 31.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.547 -36.295 29.671 1.00 0.00 H new ATOM 897 N ASN A 54 11.880 -38.498 30.690 1.00 0.00 N ATOM 898 CA ASN A 54 11.368 -38.491 32.062 1.00 0.00 C ATOM 899 C ASN A 54 9.939 -39.039 32.122 1.00 0.00 C ATOM 900 O ASN A 54 9.439 -39.382 33.195 1.00 0.00 O ATOM 901 CB ASN A 54 11.422 -37.065 32.628 1.00 0.00 C ATOM 902 CG ASN A 54 10.954 -36.977 34.072 1.00 0.00 C ATOM 903 OD1 ASN A 54 9.775 -36.747 34.343 1.00 0.00 O ATOM 904 ND2 ASN A 54 11.873 -37.165 35.007 1.00 0.00 N ATOM 0 H ASN A 54 11.889 -37.581 30.244 1.00 0.00 H new ATOM 0 HA ASN A 54 11.997 -39.141 32.669 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.444 -36.692 32.561 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.804 -36.412 32.012 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.614 -37.122 35.993 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.840 -37.353 34.741 1.00 0.00 H new ATOM 911 N ALA A 55 9.297 -39.128 30.956 1.00 0.00 N ATOM 912 CA ALA A 55 7.922 -39.624 30.839 1.00 0.00 C ATOM 913 C ALA A 55 6.929 -38.692 31.537 1.00 0.00 C ATOM 914 O ALA A 55 5.857 -39.116 31.976 1.00 0.00 O ATOM 915 CB ALA A 55 7.813 -41.050 31.381 1.00 0.00 C ATOM 0 H ALA A 55 9.714 -38.859 30.065 1.00 0.00 H new ATOM 0 HA ALA A 55 7.663 -39.642 29.780 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.785 -41.398 31.285 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.473 -41.706 30.814 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.103 -41.063 32.432 1.00 0.00 H new ATOM 921 N LYS A 56 7.290 -37.414 31.634 1.00 0.00 N ATOM 922 CA LYS A 56 6.389 -36.396 32.174 1.00 0.00 C ATOM 923 C LYS A 56 5.539 -35.796 31.051 1.00 0.00 C ATOM 924 O LYS A 56 4.359 -35.496 31.238 1.00 0.00 O ATOM 925 CB LYS A 56 7.191 -35.296 32.890 1.00 0.00 C ATOM 926 CG LYS A 56 6.334 -34.138 33.408 1.00 0.00 C ATOM 927 CD LYS A 56 7.154 -33.131 34.215 1.00 0.00 C ATOM 928 CE LYS A 56 7.618 -33.704 35.551 1.00 0.00 C ATOM 929 NZ LYS A 56 6.480 -33.953 36.479 1.00 0.00 N ATOM 0 H LYS A 56 8.201 -37.058 31.345 1.00 0.00 H new ATOM 0 HA LYS A 56 5.725 -36.865 32.901 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.729 -35.740 33.728 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.940 -34.901 32.203 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.864 -33.630 32.566 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.531 -34.532 34.030 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.022 -32.822 33.633 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.556 -32.237 34.393 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.155 -34.637 35.378 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.321 -33.013 36.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.846 -34.146 37.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.865 -33.115 36.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.933 -34.773 36.146 1.00 0.00 H new ATOM 943 N PHE A 57 6.151 -35.643 29.879 1.00 0.00 N ATOM 944 CA PHE A 57 5.477 -35.072 28.715 1.00 0.00 C ATOM 945 C PHE A 57 5.314 -36.132 27.627 1.00 0.00 C ATOM 946 O PHE A 57 6.293 -36.752 27.200 1.00 0.00 O ATOM 947 CB PHE A 57 6.271 -33.877 28.171 1.00 0.00 C ATOM 948 CG PHE A 57 6.506 -32.791 29.190 1.00 0.00 C ATOM 949 CD1 PHE A 57 5.480 -31.930 29.558 1.00 0.00 C ATOM 950 CD2 PHE A 57 7.751 -32.630 29.783 1.00 0.00 C ATOM 951 CE1 PHE A 57 5.692 -30.936 30.494 1.00 0.00 C ATOM 952 CE2 PHE A 57 7.968 -31.636 30.720 1.00 0.00 C ATOM 953 CZ PHE A 57 6.937 -30.789 31.075 1.00 0.00 C ATOM 0 H PHE A 57 7.121 -35.909 29.710 1.00 0.00 H new ATOM 0 HA PHE A 57 4.490 -34.726 29.021 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.234 -34.230 27.801 1.00 0.00 H new ATOM 0 HB3 PHE A 57 5.737 -33.455 27.320 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.505 -32.039 29.107 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.561 -33.290 29.509 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.885 -30.274 30.771 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.942 -31.523 31.173 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.104 -30.012 31.806 1.00 0.00 H new ATOM 963 N TYR A 58 4.074 -36.342 27.198 1.00 0.00 N ATOM 964 CA TYR A 58 3.756 -37.318 26.160 1.00 0.00 C ATOM 965 C TYR A 58 3.314 -36.602 24.887 1.00 0.00 C ATOM 966 O TYR A 58 2.471 -35.704 24.932 1.00 0.00 O ATOM 967 CB TYR A 58 2.638 -38.260 26.631 1.00 0.00 C ATOM 968 CG TYR A 58 2.870 -38.860 28.007 1.00 0.00 C ATOM 969 CD1 TYR A 58 3.713 -39.951 28.187 1.00 0.00 C ATOM 970 CD2 TYR A 58 2.236 -38.332 29.127 1.00 0.00 C ATOM 971 CE1 TYR A 58 3.916 -40.496 29.441 1.00 0.00 C ATOM 972 CE2 TYR A 58 2.436 -38.870 30.381 1.00 0.00 C ATOM 973 CZ TYR A 58 3.274 -39.951 30.534 1.00 0.00 C ATOM 974 OH TYR A 58 3.469 -40.488 31.785 1.00 0.00 O ATOM 0 H TYR A 58 3.262 -35.842 27.559 1.00 0.00 H new ATOM 0 HA TYR A 58 4.651 -37.905 25.955 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.696 -37.712 26.640 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.530 -39.068 25.908 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.217 -40.379 27.333 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.575 -37.485 29.012 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.574 -41.344 29.565 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.937 -38.445 31.239 1.00 0.00 H new ATOM 0 HH TYR A 58 4.324 -40.173 32.147 1.00 0.00 H new ATOM 984 N SER A 59 3.885 -37.003 23.761 1.00 0.00 N ATOM 985 CA SER A 59 3.544 -36.427 22.467 1.00 0.00 C ATOM 986 C SER A 59 2.589 -37.346 21.702 1.00 0.00 C ATOM 987 O SER A 59 2.959 -38.455 21.299 1.00 0.00 O ATOM 988 CB SER A 59 4.817 -36.179 21.648 1.00 0.00 C ATOM 989 OG SER A 59 5.666 -35.242 22.293 1.00 0.00 O ATOM 0 H SER A 59 4.595 -37.734 23.717 1.00 0.00 H new ATOM 0 HA SER A 59 3.042 -35.474 22.633 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.350 -37.119 21.505 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.550 -35.810 20.658 1.00 0.00 H new ATOM 0 HG SER A 59 6.531 -35.662 22.485 1.00 0.00 H new ATOM 995 N PHE A 60 1.362 -36.875 21.506 1.00 0.00 N ATOM 996 CA PHE A 60 0.351 -37.613 20.756 1.00 0.00 C ATOM 997 C PHE A 60 0.164 -36.998 19.372 1.00 0.00 C ATOM 998 O PHE A 60 0.609 -35.874 19.110 1.00 0.00 O ATOM 999 CB PHE A 60 -0.990 -37.616 21.502 1.00 0.00 C ATOM 1000 CG PHE A 60 -0.941 -38.293 22.849 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -0.775 -39.669 22.940 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -1.059 -37.558 24.020 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -0.731 -40.295 24.171 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -1.016 -38.181 25.252 1.00 0.00 C ATOM 1005 CZ PHE A 60 -0.852 -39.551 25.329 1.00 0.00 C ATOM 0 H PHE A 60 1.041 -35.974 21.861 1.00 0.00 H new ATOM 0 HA PHE A 60 0.695 -38.642 20.650 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.322 -36.586 21.636 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.737 -38.114 20.884 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.679 -40.256 22.039 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.186 -36.487 23.968 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.602 -41.366 24.228 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.111 -37.597 26.156 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.818 -40.039 26.292 1.00 0.00 H new ATOM 1015 N ASN A 61 -0.502 -37.743 18.500 1.00 0.00 N ATOM 1016 CA ASN A 61 -0.745 -37.320 17.125 1.00 0.00 C ATOM 1017 C ASN A 61 -2.232 -37.340 16.815 1.00 0.00 C ATOM 1018 O ASN A 61 -2.904 -38.347 17.044 1.00 0.00 O ATOM 1019 CB ASN A 61 -0.021 -38.246 16.143 1.00 0.00 C ATOM 1020 CG ASN A 61 -0.394 -37.969 14.691 1.00 0.00 C ATOM 1021 OD1 ASN A 61 0.255 -37.178 14.009 1.00 0.00 O ATOM 1022 ND2 ASN A 61 -1.448 -38.617 14.209 1.00 0.00 N ATOM 0 H ASN A 61 -0.890 -38.659 18.725 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.365 -36.304 17.016 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.056 -38.129 16.266 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.259 -39.282 16.384 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.742 -38.466 13.244 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.963 -39.266 14.804 1.00 0.00 H new ATOM 1029 N VAL A 62 -2.733 -36.231 16.288 1.00 0.00 N ATOM 1030 CA VAL A 62 -4.099 -36.157 15.792 1.00 0.00 C ATOM 1031 C VAL A 62 -4.068 -35.883 14.293 1.00 0.00 C ATOM 1032 O VAL A 62 -3.541 -34.866 13.861 1.00 0.00 O ATOM 1033 CB VAL A 62 -4.903 -35.038 16.504 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -6.332 -34.958 15.965 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.902 -35.255 18.017 1.00 0.00 C ATOM 0 H VAL A 62 -2.207 -35.362 16.193 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.592 -37.107 15.997 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.415 -34.086 16.295 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.872 -34.165 16.482 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.306 -34.743 14.897 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.837 -35.909 16.131 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.471 -34.460 18.499 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.358 -36.218 18.247 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.876 -35.242 18.386 1.00 0.00 H new ATOM 1045 N SER A 63 -4.605 -36.799 13.501 1.00 0.00 N ATOM 1046 CA SER A 63 -4.650 -36.622 12.053 1.00 0.00 C ATOM 1047 C SER A 63 -6.077 -36.792 11.550 1.00 0.00 C ATOM 1048 O SER A 63 -6.598 -37.904 11.515 1.00 0.00 O ATOM 1049 CB SER A 63 -3.713 -37.621 11.366 1.00 0.00 C ATOM 1050 OG SER A 63 -2.391 -37.494 11.862 1.00 0.00 O ATOM 0 H SER A 63 -5.016 -37.672 13.833 1.00 0.00 H new ATOM 0 HA SER A 63 -4.314 -35.614 11.810 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.072 -38.637 11.532 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.720 -37.452 10.289 1.00 0.00 H new ATOM 0 HG SER A 63 -1.781 -38.023 11.307 1.00 0.00 H new ATOM 1056 N MET A 64 -6.706 -35.687 11.174 1.00 0.00 N ATOM 1057 CA MET A 64 -8.095 -35.707 10.722 1.00 0.00 C ATOM 1058 C MET A 64 -8.253 -34.854 9.470 1.00 0.00 C ATOM 1059 O MET A 64 -7.491 -33.905 9.258 1.00 0.00 O ATOM 1060 CB MET A 64 -9.026 -35.206 11.838 1.00 0.00 C ATOM 1061 CG MET A 64 -8.772 -33.763 12.256 1.00 0.00 C ATOM 1062 SD MET A 64 -9.728 -33.279 13.707 1.00 0.00 S ATOM 1063 CE MET A 64 -11.402 -33.582 13.150 1.00 0.00 C ATOM 0 H MET A 64 -6.277 -34.762 11.172 1.00 0.00 H new ATOM 0 HA MET A 64 -8.370 -36.733 10.479 1.00 0.00 H new ATOM 0 HB2 MET A 64 -10.059 -35.300 11.505 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.912 -35.851 12.709 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.710 -33.631 12.465 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.018 -33.100 11.426 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.094 -33.429 13.978 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.646 -32.894 12.341 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.486 -34.608 12.792 1.00 0.00 H new ATOM 1073 N GLU A 65 -9.229 -35.202 8.636 1.00 0.00 N ATOM 1074 CA GLU A 65 -9.471 -34.477 7.396 1.00 0.00 C ATOM 1075 C GLU A 65 -10.010 -33.081 7.683 1.00 0.00 C ATOM 1076 O GLU A 65 -11.105 -32.928 8.229 1.00 0.00 O ATOM 1077 CB GLU A 65 -10.465 -35.229 6.505 1.00 0.00 C ATOM 1078 CG GLU A 65 -10.058 -36.661 6.185 1.00 0.00 C ATOM 1079 CD GLU A 65 -10.993 -37.316 5.183 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -12.123 -37.684 5.566 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -10.604 -37.457 4.004 1.00 0.00 O ATOM 0 H GLU A 65 -9.865 -35.983 8.798 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.518 -34.395 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.438 -35.241 6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.586 -34.680 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.042 -36.668 5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.046 -37.247 7.104 1.00 0.00 H new ATOM 1088 N VAL A 66 -9.241 -32.070 7.318 1.00 0.00 N ATOM 1089 CA VAL A 66 -9.673 -30.688 7.456 1.00 0.00 C ATOM 1090 C VAL A 66 -10.156 -30.173 6.103 1.00 0.00 C ATOM 1091 O VAL A 66 -9.458 -30.306 5.098 1.00 0.00 O ATOM 1092 CB VAL A 66 -8.541 -29.783 8.012 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -8.174 -30.206 9.433 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -7.309 -29.816 7.106 1.00 0.00 C ATOM 0 H VAL A 66 -8.308 -32.181 6.921 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.492 -30.654 8.175 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.909 -28.757 8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.379 -29.563 9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.049 -30.117 10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.832 -31.241 9.428 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.534 -29.172 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.935 -30.837 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.579 -29.462 6.111 1.00 0.00 H new ATOM 1104 N SER A 67 -11.363 -29.618 6.086 1.00 0.00 N ATOM 1105 CA SER A 67 -11.993 -29.157 4.851 1.00 0.00 C ATOM 1106 C SER A 67 -11.161 -28.051 4.205 1.00 0.00 C ATOM 1107 O SER A 67 -10.932 -28.047 2.991 1.00 0.00 O ATOM 1108 CB SER A 67 -13.405 -28.654 5.162 1.00 0.00 C ATOM 1109 OG SER A 67 -14.098 -29.581 5.991 1.00 0.00 O ATOM 0 H SER A 67 -11.930 -29.475 6.921 1.00 0.00 H new ATOM 0 HA SER A 67 -12.053 -29.987 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.350 -27.685 5.658 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.956 -28.506 4.234 1.00 0.00 H new ATOM 0 HG SER A 67 -14.998 -29.242 6.180 1.00 0.00 H new ATOM 1115 N ASN A 68 -10.718 -27.118 5.036 1.00 0.00 N ATOM 1116 CA ASN A 68 -9.855 -26.026 4.612 1.00 0.00 C ATOM 1117 C ASN A 68 -9.231 -25.378 5.846 1.00 0.00 C ATOM 1118 O ASN A 68 -9.292 -25.948 6.941 1.00 0.00 O ATOM 1119 CB ASN A 68 -10.634 -25.008 3.755 1.00 0.00 C ATOM 1120 CG ASN A 68 -11.916 -24.519 4.410 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -12.972 -25.138 4.274 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -11.842 -23.389 5.092 1.00 0.00 N ATOM 0 H ASN A 68 -10.949 -27.098 6.029 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.055 -26.413 3.981 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.992 -24.152 3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.877 -25.464 2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.678 -23.001 5.528 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.948 -22.905 5.182 1.00 0.00 H new ATOM 1129 N GLU A 69 -8.622 -24.207 5.681 1.00 0.00 N ATOM 1130 CA GLU A 69 -7.886 -23.566 6.772 1.00 0.00 C ATOM 1131 C GLU A 69 -8.780 -23.348 7.998 1.00 0.00 C ATOM 1132 O GLU A 69 -8.321 -23.450 9.137 1.00 0.00 O ATOM 1133 CB GLU A 69 -7.287 -22.233 6.310 1.00 0.00 C ATOM 1134 CG GLU A 69 -6.438 -21.547 7.372 1.00 0.00 C ATOM 1135 CD GLU A 69 -5.918 -20.193 6.926 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -6.675 -19.205 7.016 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -4.751 -20.112 6.488 1.00 0.00 O ATOM 0 H GLU A 69 -8.622 -23.682 4.806 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.075 -24.235 7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.676 -22.406 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.095 -21.564 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.030 -21.423 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.595 -22.189 7.627 1.00 0.00 H new ATOM 1144 N SER A 70 -10.057 -23.081 7.756 1.00 0.00 N ATOM 1145 CA SER A 70 -11.007 -22.798 8.827 1.00 0.00 C ATOM 1146 C SER A 70 -11.044 -23.945 9.845 1.00 0.00 C ATOM 1147 O SER A 70 -10.952 -23.719 11.055 1.00 0.00 O ATOM 1148 CB SER A 70 -12.402 -22.557 8.230 1.00 0.00 C ATOM 1149 OG SER A 70 -13.310 -22.067 9.201 1.00 0.00 O ATOM 0 H SER A 70 -10.462 -23.054 6.820 1.00 0.00 H new ATOM 0 HA SER A 70 -10.685 -21.899 9.353 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.328 -21.844 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.784 -23.488 7.811 1.00 0.00 H new ATOM 0 HG SER A 70 -14.186 -21.923 8.786 1.00 0.00 H new ATOM 1155 N GLU A 71 -11.144 -25.175 9.345 1.00 0.00 N ATOM 1156 CA GLU A 71 -11.236 -26.354 10.203 1.00 0.00 C ATOM 1157 C GLU A 71 -9.944 -26.565 10.981 1.00 0.00 C ATOM 1158 O GLU A 71 -9.965 -26.718 12.200 1.00 0.00 O ATOM 1159 CB GLU A 71 -11.562 -27.613 9.379 1.00 0.00 C ATOM 1160 CG GLU A 71 -12.982 -27.646 8.820 1.00 0.00 C ATOM 1161 CD GLU A 71 -13.312 -26.436 7.965 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -12.512 -26.108 7.065 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -14.359 -25.794 8.200 1.00 0.00 O ATOM 0 H GLU A 71 -11.163 -25.381 8.346 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.046 -26.181 10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.856 -27.684 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.410 -28.492 10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.111 -28.550 8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.690 -27.704 9.646 1.00 0.00 H new ATOM 1170 N ARG A 72 -8.813 -26.548 10.279 1.00 0.00 N ATOM 1171 CA ARG A 72 -7.524 -26.801 10.922 1.00 0.00 C ATOM 1172 C ARG A 72 -7.215 -25.733 11.973 1.00 0.00 C ATOM 1173 O ARG A 72 -6.329 -25.915 12.810 1.00 0.00 O ATOM 1174 CB ARG A 72 -6.393 -26.934 9.878 1.00 0.00 C ATOM 1175 CG ARG A 72 -6.235 -25.748 8.928 1.00 0.00 C ATOM 1176 CD ARG A 72 -5.430 -24.606 9.539 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.051 -25.004 9.819 1.00 0.00 N ATOM 1178 CZ ARG A 72 -3.248 -24.372 10.675 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -3.680 -23.322 11.360 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -2.006 -24.792 10.841 1.00 0.00 N ATOM 0 H ARG A 72 -8.761 -26.364 9.277 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.588 -27.756 11.443 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.451 -27.083 10.405 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.572 -27.831 9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.745 -26.083 8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.221 -25.381 8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.432 -23.755 8.858 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.908 -24.277 10.462 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.680 -25.817 9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.636 -22.990 11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.056 -22.847 12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.665 -25.597 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.388 -24.311 11.495 1.00 0.00 H new ATOM 1194 N ASN A 73 -7.957 -24.624 11.927 1.00 0.00 N ATOM 1195 CA ASN A 73 -7.848 -23.573 12.937 1.00 0.00 C ATOM 1196 C ASN A 73 -8.742 -23.887 14.135 1.00 0.00 C ATOM 1197 O ASN A 73 -8.301 -23.815 15.286 1.00 0.00 O ATOM 1198 CB ASN A 73 -8.231 -22.202 12.355 1.00 0.00 C ATOM 1199 CG ASN A 73 -7.208 -21.660 11.369 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -6.015 -21.954 11.458 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -7.670 -20.853 10.427 1.00 0.00 N ATOM 0 H ASN A 73 -8.643 -24.432 11.197 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.809 -23.535 13.263 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.197 -22.283 11.857 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.352 -21.490 13.171 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.031 -20.451 9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.665 -20.634 10.387 1.00 0.00 H new ATOM 1208 N GLU A 74 -10.000 -24.243 13.864 1.00 0.00 N ATOM 1209 CA GLU A 74 -10.969 -24.487 14.931 1.00 0.00 C ATOM 1210 C GLU A 74 -10.555 -25.691 15.774 1.00 0.00 C ATOM 1211 O GLU A 74 -10.583 -25.641 17.006 1.00 0.00 O ATOM 1212 CB GLU A 74 -12.388 -24.689 14.367 1.00 0.00 C ATOM 1213 CG GLU A 74 -12.610 -26.006 13.629 1.00 0.00 C ATOM 1214 CD GLU A 74 -14.070 -26.229 13.259 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -14.929 -26.174 14.165 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -14.366 -26.464 12.069 1.00 0.00 O ATOM 0 H GLU A 74 -10.368 -24.368 12.921 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.984 -23.604 15.569 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.101 -24.626 15.189 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.612 -23.867 13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.003 -26.018 12.724 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.267 -26.831 14.253 1.00 0.00 H new ATOM 1223 N ILE A 75 -10.139 -26.755 15.098 1.00 0.00 N ATOM 1224 CA ILE A 75 -9.754 -28.000 15.752 1.00 0.00 C ATOM 1225 C ILE A 75 -8.546 -27.781 16.658 1.00 0.00 C ATOM 1226 O ILE A 75 -8.491 -28.304 17.771 1.00 0.00 O ATOM 1227 CB ILE A 75 -9.444 -29.093 14.704 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -10.668 -29.297 13.794 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -9.043 -30.405 15.383 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -10.379 -30.088 12.538 1.00 0.00 C ATOM 0 H ILE A 75 -10.059 -26.779 14.081 1.00 0.00 H new ATOM 0 HA ILE A 75 -10.591 -28.334 16.365 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.601 -28.768 14.095 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.447 -29.807 14.360 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.065 -28.322 13.513 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.830 -31.157 14.624 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.154 -30.243 15.992 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.859 -30.751 16.017 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.293 -30.187 11.952 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.624 -29.570 11.947 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.012 -31.078 12.808 1.00 0.00 H new ATOM 1242 N PHE A 76 -7.599 -26.977 16.182 1.00 0.00 N ATOM 1243 CA PHE A 76 -6.406 -26.636 16.956 1.00 0.00 C ATOM 1244 C PHE A 76 -6.799 -26.055 18.314 1.00 0.00 C ATOM 1245 O PHE A 76 -6.170 -26.343 19.337 1.00 0.00 O ATOM 1246 CB PHE A 76 -5.542 -25.635 16.172 1.00 0.00 C ATOM 1247 CG PHE A 76 -4.283 -25.211 16.889 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -3.198 -26.071 16.986 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -4.185 -23.951 17.468 1.00 0.00 C ATOM 1250 CE1 PHE A 76 -2.044 -25.685 17.642 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -3.034 -23.561 18.124 1.00 0.00 C ATOM 1252 CZ PHE A 76 -1.962 -24.429 18.212 1.00 0.00 C ATOM 0 H PHE A 76 -7.634 -26.546 15.258 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.826 -27.543 17.127 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.270 -26.079 15.215 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -6.139 -24.749 15.954 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.256 -27.054 16.543 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.020 -23.268 17.404 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.207 -26.365 17.709 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.972 -22.578 18.568 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.062 -24.126 18.726 1.00 0.00 H new ATOM 1262 N GLN A 77 -7.858 -25.252 18.315 1.00 0.00 N ATOM 1263 CA GLN A 77 -8.361 -24.640 19.540 1.00 0.00 C ATOM 1264 C GLN A 77 -9.022 -25.688 20.436 1.00 0.00 C ATOM 1265 O GLN A 77 -8.890 -25.640 21.661 1.00 0.00 O ATOM 1266 CB GLN A 77 -9.355 -23.521 19.206 1.00 0.00 C ATOM 1267 CG GLN A 77 -8.756 -22.405 18.353 1.00 0.00 C ATOM 1268 CD GLN A 77 -9.761 -21.315 18.018 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -9.903 -20.336 18.751 1.00 0.00 O ATOM 1270 NE2 GLN A 77 -10.459 -21.472 16.905 1.00 0.00 N ATOM 0 H GLN A 77 -8.387 -25.009 17.477 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.518 -24.210 20.080 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.209 -23.950 18.681 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.734 -23.094 20.135 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.911 -21.964 18.882 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.366 -22.830 17.428 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.313 -22.297 16.324 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.143 -20.768 16.628 1.00 0.00 H new ATOM 1279 N LYS A 78 -9.718 -26.645 19.817 1.00 0.00 N ATOM 1280 CA LYS A 78 -10.398 -27.710 20.562 1.00 0.00 C ATOM 1281 C LYS A 78 -9.378 -28.512 21.373 1.00 0.00 C ATOM 1282 O LYS A 78 -9.644 -28.921 22.505 1.00 0.00 O ATOM 1283 CB LYS A 78 -11.144 -28.667 19.613 1.00 0.00 C ATOM 1284 CG LYS A 78 -11.949 -27.992 18.507 1.00 0.00 C ATOM 1285 CD LYS A 78 -13.115 -27.154 19.029 1.00 0.00 C ATOM 1286 CE LYS A 78 -13.884 -26.522 17.869 1.00 0.00 C ATOM 1287 NZ LYS A 78 -15.051 -25.722 18.321 1.00 0.00 N ATOM 0 H LYS A 78 -9.826 -26.705 18.805 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.122 -27.240 21.228 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.417 -29.337 19.154 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.818 -29.286 20.204 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.286 -27.354 17.923 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.334 -28.755 17.831 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.785 -27.780 19.618 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.741 -26.374 19.693 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.211 -25.883 17.298 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.227 -27.307 17.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.535 -25.317 17.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.710 -26.334 18.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.726 -24.954 18.942 1.00 0.00 H new ATOM 1301 N ILE A 79 -8.205 -28.714 20.774 1.00 0.00 N ATOM 1302 CA ILE A 79 -7.123 -29.491 21.386 1.00 0.00 C ATOM 1303 C ILE A 79 -6.679 -28.868 22.713 1.00 0.00 C ATOM 1304 O ILE A 79 -6.215 -29.558 23.619 1.00 0.00 O ATOM 1305 CB ILE A 79 -5.896 -29.590 20.439 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -6.311 -30.121 19.055 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -4.807 -30.476 21.047 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -6.885 -31.523 19.067 1.00 0.00 C ATOM 0 H ILE A 79 -7.976 -28.345 19.851 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.515 -30.491 21.570 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.490 -28.586 20.313 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.049 -29.443 18.626 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.442 -30.103 18.397 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.959 -30.529 20.365 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.482 -30.053 21.998 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.203 -31.478 21.212 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.150 -31.816 18.051 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.143 -32.216 19.463 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.775 -31.546 19.695 1.00 0.00 H new ATOM 1320 N SER A 80 -6.822 -27.555 22.818 1.00 0.00 N ATOM 1321 CA SER A 80 -6.409 -26.828 24.011 1.00 0.00 C ATOM 1322 C SER A 80 -7.425 -27.004 25.143 1.00 0.00 C ATOM 1323 O SER A 80 -7.102 -26.803 26.315 1.00 0.00 O ATOM 1324 CB SER A 80 -6.246 -25.343 23.672 1.00 0.00 C ATOM 1325 OG SER A 80 -5.772 -24.598 24.783 1.00 0.00 O ATOM 0 H SER A 80 -7.223 -26.968 22.087 1.00 0.00 H new ATOM 0 HA SER A 80 -5.456 -27.231 24.352 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.552 -25.234 22.839 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.203 -24.938 23.344 1.00 0.00 H new ATOM 0 HG SER A 80 -5.679 -23.656 24.529 1.00 0.00 H new ATOM 1331 N GLN A 81 -8.641 -27.405 24.788 1.00 0.00 N ATOM 1332 CA GLN A 81 -9.748 -27.455 25.743 1.00 0.00 C ATOM 1333 C GLN A 81 -9.748 -28.748 26.560 1.00 0.00 C ATOM 1334 O GLN A 81 -10.678 -28.996 27.329 1.00 0.00 O ATOM 1335 CB GLN A 81 -11.086 -27.306 25.005 1.00 0.00 C ATOM 1336 CG GLN A 81 -11.215 -26.000 24.229 1.00 0.00 C ATOM 1337 CD GLN A 81 -12.565 -25.843 23.544 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -13.063 -24.730 23.382 1.00 0.00 O ATOM 1339 NE2 GLN A 81 -13.163 -26.951 23.126 1.00 0.00 N ATOM 0 H GLN A 81 -8.888 -27.701 23.844 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.615 -26.626 26.438 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.206 -28.142 24.315 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.899 -27.371 25.728 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.060 -25.163 24.910 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.426 -25.951 23.479 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.721 -27.858 23.277 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.065 -26.896 22.653 1.00 0.00 H new ATOM 1348 N LEU A 82 -8.714 -29.572 26.401 1.00 0.00 N ATOM 1349 CA LEU A 82 -8.635 -30.835 27.139 1.00 0.00 C ATOM 1350 C LEU A 82 -8.159 -30.586 28.566 1.00 0.00 C ATOM 1351 O LEU A 82 -8.345 -31.434 29.435 1.00 0.00 O ATOM 1352 CB LEU A 82 -7.683 -31.831 26.457 1.00 0.00 C ATOM 1353 CG LEU A 82 -7.685 -31.799 24.921 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -6.691 -32.806 24.352 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -9.087 -32.042 24.372 1.00 0.00 C ATOM 0 H LEU A 82 -7.928 -29.393 25.777 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.636 -31.266 27.152 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.669 -31.636 26.806 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.944 -32.838 26.783 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.370 -30.804 24.605 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.712 -32.763 23.263 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.688 -32.566 24.705 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.961 -33.810 24.681 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.061 -32.014 23.283 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.443 -33.018 24.702 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.761 -31.267 24.739 1.00 0.00 H new ATOM 1367 N ASP A 83 -7.507 -29.434 28.775 1.00 0.00 N ATOM 1368 CA ASP A 83 -6.961 -29.043 30.087 1.00 0.00 C ATOM 1369 C ASP A 83 -5.672 -29.812 30.417 1.00 0.00 C ATOM 1370 O ASP A 83 -4.761 -29.275 31.048 1.00 0.00 O ATOM 1371 CB ASP A 83 -8.009 -29.240 31.203 1.00 0.00 C ATOM 1372 CG ASP A 83 -7.492 -28.869 32.586 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -7.543 -27.672 32.945 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -7.044 -29.772 33.329 1.00 0.00 O ATOM 0 H ASP A 83 -7.342 -28.745 28.041 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.711 -27.984 30.031 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.888 -28.636 30.977 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.331 -30.281 31.210 1.00 0.00 H new ATOM 1379 N LYS A 84 -5.589 -31.058 29.955 1.00 0.00 N ATOM 1380 CA LYS A 84 -4.475 -31.953 30.291 1.00 0.00 C ATOM 1381 C LYS A 84 -3.302 -31.764 29.322 1.00 0.00 C ATOM 1382 O LYS A 84 -2.317 -32.506 29.366 1.00 0.00 O ATOM 1383 CB LYS A 84 -4.962 -33.412 30.238 1.00 0.00 C ATOM 1384 CG LYS A 84 -6.428 -33.570 30.629 1.00 0.00 C ATOM 1385 CD LYS A 84 -6.918 -35.008 30.512 1.00 0.00 C ATOM 1386 CE LYS A 84 -6.479 -35.859 31.701 1.00 0.00 C ATOM 1387 NZ LYS A 84 -6.937 -35.285 32.996 1.00 0.00 N ATOM 0 H LYS A 84 -6.286 -31.477 29.340 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.127 -31.712 31.295 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.818 -33.800 29.230 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.348 -34.018 30.904 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.565 -33.226 31.654 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.040 -32.930 29.994 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.006 -35.016 30.442 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.536 -35.448 29.591 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.876 -36.868 31.591 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.392 -35.943 31.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.009 -36.042 33.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.254 -34.571 33.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.869 -34.841 32.869 1.00 0.00 H new ATOM 1401 N VAL A 85 -3.419 -30.770 28.445 1.00 0.00 N ATOM 1402 CA VAL A 85 -2.409 -30.507 27.424 1.00 0.00 C ATOM 1403 C VAL A 85 -1.573 -29.284 27.802 1.00 0.00 C ATOM 1404 O VAL A 85 -2.114 -28.245 28.196 1.00 0.00 O ATOM 1405 CB VAL A 85 -3.065 -30.295 26.032 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -4.064 -29.137 26.061 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -2.002 -30.075 24.956 1.00 0.00 C ATOM 0 H VAL A 85 -4.211 -30.128 28.422 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.756 -31.378 27.366 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.616 -31.202 25.782 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.506 -29.013 25.073 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.849 -29.352 26.786 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.549 -28.219 26.345 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.486 -29.929 23.991 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.412 -29.193 25.203 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.349 -30.946 24.906 1.00 0.00 H new ATOM 1417 N VAL A 86 -0.253 -29.407 27.689 1.00 0.00 N ATOM 1418 CA VAL A 86 0.650 -28.315 28.046 1.00 0.00 C ATOM 1419 C VAL A 86 1.103 -27.542 26.808 1.00 0.00 C ATOM 1420 O VAL A 86 1.295 -26.327 26.868 1.00 0.00 O ATOM 1421 CB VAL A 86 1.890 -28.819 28.829 1.00 0.00 C ATOM 1422 CG1 VAL A 86 1.469 -29.389 30.183 1.00 0.00 C ATOM 1423 CG2 VAL A 86 2.671 -29.855 28.021 1.00 0.00 C ATOM 0 H VAL A 86 0.215 -30.249 27.354 1.00 0.00 H new ATOM 0 HA VAL A 86 0.085 -27.646 28.695 1.00 0.00 H new ATOM 0 HB VAL A 86 2.550 -27.969 29.002 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.350 -29.739 30.721 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.972 -28.613 30.766 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.783 -30.222 30.030 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.534 -30.189 28.596 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.027 -30.707 27.804 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.009 -29.408 27.086 1.00 0.00 H new ATOM 1433 N GLN A 87 1.245 -28.238 25.681 1.00 0.00 N ATOM 1434 CA GLN A 87 1.738 -27.613 24.454 1.00 0.00 C ATOM 1435 C GLN A 87 0.970 -28.126 23.235 1.00 0.00 C ATOM 1436 O GLN A 87 0.706 -29.324 23.112 1.00 0.00 O ATOM 1437 CB GLN A 87 3.243 -27.885 24.294 1.00 0.00 C ATOM 1438 CG GLN A 87 3.893 -27.133 23.139 1.00 0.00 C ATOM 1439 CD GLN A 87 3.844 -25.625 23.315 1.00 0.00 C ATOM 1440 OE1 GLN A 87 2.895 -24.963 22.884 1.00 0.00 O ATOM 1441 NE2 GLN A 87 4.864 -25.071 23.947 1.00 0.00 N ATOM 0 H GLN A 87 1.027 -29.230 25.592 1.00 0.00 H new ATOM 0 HA GLN A 87 1.578 -26.537 24.525 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.750 -27.615 25.220 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.394 -28.955 24.148 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.932 -27.449 23.045 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.392 -27.402 22.209 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.629 -25.653 24.288 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.886 -24.062 24.094 1.00 0.00 H new ATOM 1450 N THR A 88 0.615 -27.203 22.343 1.00 0.00 N ATOM 1451 CA THR A 88 -0.121 -27.522 21.123 1.00 0.00 C ATOM 1452 C THR A 88 0.599 -26.944 19.901 1.00 0.00 C ATOM 1453 O THR A 88 0.825 -25.735 19.822 1.00 0.00 O ATOM 1454 CB THR A 88 -1.561 -26.953 21.193 1.00 0.00 C ATOM 1455 OG1 THR A 88 -1.521 -25.583 21.627 1.00 0.00 O ATOM 1456 CG2 THR A 88 -2.435 -27.764 22.147 1.00 0.00 C ATOM 0 H THR A 88 0.830 -26.211 22.447 1.00 0.00 H new ATOM 0 HA THR A 88 -0.172 -28.607 21.030 1.00 0.00 H new ATOM 0 HB THR A 88 -1.996 -27.015 20.196 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.767 -25.126 21.199 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.438 -27.338 22.173 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.488 -28.797 21.803 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.004 -27.737 23.148 1.00 0.00 H new ATOM 1464 N LEU A 89 0.979 -27.809 18.961 1.00 0.00 N ATOM 1465 CA LEU A 89 1.666 -27.375 17.744 1.00 0.00 C ATOM 1466 C LEU A 89 0.806 -27.662 16.513 1.00 0.00 C ATOM 1467 O LEU A 89 0.334 -28.787 16.319 1.00 0.00 O ATOM 1468 CB LEU A 89 3.035 -28.065 17.591 1.00 0.00 C ATOM 1469 CG LEU A 89 4.054 -27.821 18.723 1.00 0.00 C ATOM 1470 CD1 LEU A 89 3.689 -28.615 19.977 1.00 0.00 C ATOM 1471 CD2 LEU A 89 5.468 -28.166 18.260 1.00 0.00 C ATOM 0 H LEU A 89 0.823 -28.815 19.019 1.00 0.00 H new ATOM 0 HA LEU A 89 1.831 -26.301 17.828 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.869 -29.139 17.506 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.481 -27.736 16.652 1.00 0.00 H new ATOM 0 HG LEU A 89 4.023 -26.761 18.977 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.426 -28.422 20.757 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.702 -28.310 20.326 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.678 -29.680 19.743 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.171 -27.987 19.073 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.510 -29.216 17.969 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.734 -27.542 17.407 1.00 0.00 H new