USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 398 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 44 CYS SG : rot 148:sc= 1.46 USER MOD Set 1.2: A 47 CYS SG : rot -45:sc= 0.364 USER MOD Set 1.3: A 65 CYS SG : rot -131:sc= -2.79! USER MOD Set 1.4: A 68 CYS SG : rot 149:sc= 1.16 USER MOD Set 2.1: A 18 CYS SG : rot 20:sc= -1.47! USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0.0253 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -4.49! C(o=-6.7!,f=-10!) USER MOD Set 2.4: A 41 CYS SG : rot -167:sc= -0.768 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 32 TYR OH : rot 15:sc=-0.000307 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.49 F(o=-2.1,f=-0.49) USER MOD Single : A 45 THR OG1 : rot -140:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 49 THR OG1 : rot 80:sc= -0.955 USER MOD Single : A 54 GLN : amide:sc= -0.0438 K(o=-0.044,f=-0.62) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 3.417 11.310 -2.563 1.00 0.00 N ATOM 194 CA PRO A 16 2.533 10.509 -1.711 1.00 0.00 C ATOM 195 C PRO A 16 3.264 9.919 -0.510 1.00 0.00 C ATOM 196 O PRO A 16 4.474 10.092 -0.362 1.00 0.00 O ATOM 197 CB PRO A 16 2.055 9.395 -2.646 1.00 0.00 C ATOM 198 CG PRO A 16 3.127 9.276 -3.674 1.00 0.00 C ATOM 199 CD PRO A 16 3.677 10.663 -3.860 1.00 0.00 C ATOM 0 HA PRO A 16 1.725 11.105 -1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.918 8.458 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.096 9.644 -3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.906 8.588 -3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.728 8.885 -4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.741 10.645 -4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.180 11.186 -4.677 1.00 0.00 H new ATOM 207 N ARG A 17 2.523 9.223 0.345 1.00 0.00 N ATOM 208 CA ARG A 17 3.101 8.609 1.534 1.00 0.00 C ATOM 209 C ARG A 17 2.367 7.320 1.892 1.00 0.00 C ATOM 210 O ARG A 17 1.143 7.240 1.784 1.00 0.00 O ATOM 211 CB ARG A 17 3.050 9.582 2.713 1.00 0.00 C ATOM 212 CG ARG A 17 3.741 10.907 2.439 1.00 0.00 C ATOM 213 CD ARG A 17 3.945 11.704 3.719 1.00 0.00 C ATOM 214 NE ARG A 17 4.408 13.063 3.450 1.00 0.00 N ATOM 215 CZ ARG A 17 5.099 13.789 4.320 1.00 0.00 C ATOM 216 NH1 ARG A 17 5.407 13.290 5.509 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.485 15.019 4.002 1.00 0.00 N ATOM 0 H ARG A 17 1.520 9.070 0.237 1.00 0.00 H new ATOM 0 HA ARG A 17 4.141 8.366 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.008 9.772 2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.514 9.113 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.705 10.725 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.146 11.491 1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.008 11.744 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.670 11.193 4.353 1.00 0.00 H new ATOM 0 HE ARG A 17 4.188 13.477 2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.113 12.345 5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.938 13.851 6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.250 15.407 3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.016 15.576 4.671 1.00 0.00 H new ATOM 231 N CYS A 18 3.122 6.313 2.317 1.00 0.00 N ATOM 232 CA CYS A 18 2.545 5.027 2.690 1.00 0.00 C ATOM 233 C CYS A 18 1.289 5.219 3.534 1.00 0.00 C ATOM 234 O CYS A 18 1.316 5.896 4.561 1.00 0.00 O ATOM 235 CB CYS A 18 3.568 4.190 3.460 1.00 0.00 C ATOM 236 SG CYS A 18 2.992 2.512 3.877 1.00 0.00 S ATOM 0 H CYS A 18 4.136 6.363 2.412 1.00 0.00 H new ATOM 0 HA CYS A 18 2.270 4.501 1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.479 4.113 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.830 4.712 4.380 1.00 0.00 H new ATOM 0 HG CYS A 18 2.003 2.187 3.099 1.00 0.00 H new ATOM 241 N ALA A 19 0.188 4.618 3.093 1.00 0.00 N ATOM 242 CA ALA A 19 -1.077 4.721 3.809 1.00 0.00 C ATOM 243 C ALA A 19 -0.977 4.094 5.195 1.00 0.00 C ATOM 244 O ALA A 19 -1.836 4.312 6.049 1.00 0.00 O ATOM 245 CB ALA A 19 -2.191 4.062 3.009 1.00 0.00 C ATOM 0 H ALA A 19 0.147 4.055 2.243 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.310 5.778 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.130 4.146 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.287 4.558 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.954 3.009 2.855 1.00 0.00 H new ATOM 251 N ARG A 20 0.077 3.313 5.411 1.00 0.00 N ATOM 252 CA ARG A 20 0.288 2.653 6.693 1.00 0.00 C ATOM 253 C ARG A 20 1.157 3.509 7.610 1.00 0.00 C ATOM 254 O ARG A 20 0.746 3.871 8.713 1.00 0.00 O ATOM 255 CB ARG A 20 0.942 1.285 6.485 1.00 0.00 C ATOM 256 CG ARG A 20 1.371 0.612 7.779 1.00 0.00 C ATOM 257 CD ARG A 20 0.179 0.039 8.530 1.00 0.00 C ATOM 258 NE ARG A 20 0.592 -0.795 9.656 1.00 0.00 N ATOM 259 CZ ARG A 20 -0.174 -1.740 10.190 1.00 0.00 C ATOM 260 NH1 ARG A 20 -1.385 -1.971 9.702 1.00 0.00 N ATOM 261 NH2 ARG A 20 0.272 -2.457 11.213 1.00 0.00 N ATOM 0 H ARG A 20 0.797 3.122 4.715 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.684 2.516 7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.243 0.633 5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.813 1.402 5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.081 -0.185 7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.889 1.333 8.411 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.447 0.854 8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.431 -0.551 7.846 1.00 0.00 H new ATOM 0 HE ARG A 20 1.519 -0.644 10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.731 -1.423 8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.971 -2.697 10.114 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.204 -2.283 11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.317 -3.182 11.623 1.00 0.00 H new ATOM 275 N CYS A 21 2.360 3.830 7.147 1.00 0.00 N ATOM 276 CA CYS A 21 3.288 4.643 7.924 1.00 0.00 C ATOM 277 C CYS A 21 3.130 6.122 7.584 1.00 0.00 C ATOM 278 O CYS A 21 3.197 6.982 8.463 1.00 0.00 O ATOM 279 CB CYS A 21 4.729 4.199 7.664 1.00 0.00 C ATOM 280 SG CYS A 21 4.918 2.408 7.393 1.00 0.00 S ATOM 0 H CYS A 21 2.716 3.539 6.236 1.00 0.00 H new ATOM 0 HA CYS A 21 3.058 4.504 8.980 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.109 4.730 6.791 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.347 4.495 8.512 1.00 0.00 H new ATOM 0 HG CYS A 21 6.170 2.131 7.180 1.00 0.00 H new ATOM 285 N SER A 22 2.921 6.411 6.304 1.00 0.00 N ATOM 286 CA SER A 22 2.758 7.786 5.847 1.00 0.00 C ATOM 287 C SER A 22 4.079 8.545 5.925 1.00 0.00 C ATOM 288 O SER A 22 4.147 9.643 6.478 1.00 0.00 O ATOM 289 CB SER A 22 1.696 8.501 6.685 1.00 0.00 C ATOM 290 OG SER A 22 1.136 9.593 5.975 1.00 0.00 O ATOM 0 H SER A 22 2.861 5.711 5.565 1.00 0.00 H new ATOM 0 HA SER A 22 2.434 7.761 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.909 7.798 6.957 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.141 8.857 7.614 1.00 0.00 H new ATOM 0 HG SER A 22 0.459 10.032 6.531 1.00 0.00 H new ATOM 296 N LYS A 23 5.128 7.952 5.365 1.00 0.00 N ATOM 297 CA LYS A 23 6.449 8.570 5.369 1.00 0.00 C ATOM 298 C LYS A 23 6.726 9.267 4.041 1.00 0.00 C ATOM 299 O LYS A 23 6.716 10.496 3.958 1.00 0.00 O ATOM 300 CB LYS A 23 7.526 7.518 5.639 1.00 0.00 C ATOM 301 CG LYS A 23 7.312 6.746 6.929 1.00 0.00 C ATOM 302 CD LYS A 23 7.985 7.431 8.107 1.00 0.00 C ATOM 303 CE LYS A 23 8.333 6.438 9.205 1.00 0.00 C ATOM 304 NZ LYS A 23 8.835 7.119 10.431 1.00 0.00 N ATOM 0 H LYS A 23 5.089 7.044 4.902 1.00 0.00 H new ATOM 0 HA LYS A 23 6.472 9.316 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.553 6.816 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.499 8.008 5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.244 6.651 7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.707 5.736 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.891 7.933 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.325 8.201 8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.451 5.847 9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.090 5.743 8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.061 6.408 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.691 7.662 10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.104 7.763 10.795 1.00 0.00 H new ATOM 318 N THR A 24 6.973 8.476 3.002 1.00 0.00 N ATOM 319 CA THR A 24 7.253 9.017 1.678 1.00 0.00 C ATOM 320 C THR A 24 7.277 7.913 0.626 1.00 0.00 C ATOM 321 O THR A 24 7.535 6.750 0.938 1.00 0.00 O ATOM 322 CB THR A 24 8.598 9.766 1.650 1.00 0.00 C ATOM 323 OG1 THR A 24 9.506 9.179 2.589 1.00 0.00 O ATOM 324 CG2 THR A 24 8.405 11.239 1.977 1.00 0.00 C ATOM 0 H THR A 24 6.985 7.457 3.052 1.00 0.00 H new ATOM 0 HA THR A 24 6.451 9.718 1.447 1.00 0.00 H new ATOM 0 HB THR A 24 9.012 9.685 0.645 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.359 9.660 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.369 11.747 1.951 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.737 11.690 1.243 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.970 11.337 2.972 1.00 0.00 H new ATOM 332 N LEU A 25 7.008 8.284 -0.620 1.00 0.00 N ATOM 333 CA LEU A 25 6.999 7.325 -1.719 1.00 0.00 C ATOM 334 C LEU A 25 7.477 7.976 -3.014 1.00 0.00 C ATOM 335 O LEU A 25 6.785 8.815 -3.592 1.00 0.00 O ATOM 336 CB LEU A 25 5.594 6.752 -1.911 1.00 0.00 C ATOM 337 CG LEU A 25 5.120 5.767 -0.843 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.614 5.868 -0.654 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.517 4.345 -1.214 1.00 0.00 C ATOM 0 H LEU A 25 6.793 9.242 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 25 7.683 6.515 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.888 7.581 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.556 6.253 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 25 5.603 6.024 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.295 5.159 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.353 6.879 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.113 5.638 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.171 3.658 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.063 4.078 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.602 4.280 -1.298 1.00 0.00 H new ATOM 396 N VAL A 30 4.070 1.587 -4.745 1.00 0.00 N ATOM 397 CA VAL A 30 2.817 0.996 -5.199 1.00 0.00 C ATOM 398 C VAL A 30 1.618 1.717 -4.594 1.00 0.00 C ATOM 399 O VAL A 30 1.768 2.563 -3.712 1.00 0.00 O ATOM 400 CB VAL A 30 2.738 -0.500 -4.839 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.692 -1.309 -5.704 1.00 0.00 C ATOM 402 CG2 VAL A 30 3.039 -0.708 -3.362 1.00 0.00 C ATOM 0 HA VAL A 30 2.792 1.103 -6.283 1.00 0.00 H new ATOM 0 HB VAL A 30 1.724 -0.850 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.622 -2.363 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.426 -1.184 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.712 -0.961 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.979 -1.770 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.042 -0.343 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.312 -0.160 -2.762 1.00 0.00 H new ATOM 412 N THR A 31 0.425 1.375 -5.073 1.00 0.00 N ATOM 413 CA THR A 31 -0.801 1.990 -4.580 1.00 0.00 C ATOM 414 C THR A 31 -1.914 0.959 -4.437 1.00 0.00 C ATOM 415 O THR A 31 -2.304 0.313 -5.411 1.00 0.00 O ATOM 416 CB THR A 31 -1.278 3.119 -5.513 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.315 3.874 -4.878 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.789 2.553 -6.829 1.00 0.00 C ATOM 0 H THR A 31 0.283 0.676 -5.802 1.00 0.00 H new ATOM 0 HA THR A 31 -0.572 2.411 -3.601 1.00 0.00 H new ATOM 0 HB THR A 31 -0.430 3.771 -5.721 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.612 4.591 -5.477 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.120 3.369 -7.472 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.988 2.003 -7.324 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.625 1.881 -6.636 1.00 0.00 H new ATOM 426 N TYR A 32 -2.423 0.809 -3.220 1.00 0.00 N ATOM 427 CA TYR A 32 -3.492 -0.146 -2.950 1.00 0.00 C ATOM 428 C TYR A 32 -4.804 0.574 -2.654 1.00 0.00 C ATOM 429 O TYR A 32 -4.815 1.640 -2.037 1.00 0.00 O ATOM 430 CB TYR A 32 -3.114 -1.047 -1.773 1.00 0.00 C ATOM 431 CG TYR A 32 -4.305 -1.674 -1.085 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.038 -2.680 -1.702 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.697 -1.262 0.183 1.00 0.00 C ATOM 434 CE1 TYR A 32 -6.128 -3.256 -1.078 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.784 -1.833 0.815 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.496 -2.830 0.181 1.00 0.00 C ATOM 437 OH TYR A 32 -7.580 -3.401 0.808 1.00 0.00 O ATOM 0 H TYR A 32 -2.113 1.336 -2.404 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.629 -0.761 -3.840 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.453 -1.837 -2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.550 -0.463 -1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.751 -3.018 -2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.142 -0.482 0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.688 -4.035 -1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.075 -1.501 1.801 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.824 -4.231 0.348 1.00 0.00 H new ATOM 447 N ARG A 33 -5.909 -0.017 -3.097 1.00 0.00 N ATOM 448 CA ARG A 33 -7.227 0.567 -2.880 1.00 0.00 C ATOM 449 C ARG A 33 -7.224 2.055 -3.218 1.00 0.00 C ATOM 450 O ARG A 33 -7.795 2.868 -2.490 1.00 0.00 O ATOM 451 CB ARG A 33 -7.666 0.363 -1.429 1.00 0.00 C ATOM 452 CG ARG A 33 -6.829 1.138 -0.425 1.00 0.00 C ATOM 453 CD ARG A 33 -7.469 1.132 0.955 1.00 0.00 C ATOM 454 NE ARG A 33 -6.514 1.486 2.002 1.00 0.00 N ATOM 455 CZ ARG A 33 -6.646 1.119 3.272 1.00 0.00 C ATOM 456 NH1 ARG A 33 -7.688 0.391 3.650 1.00 0.00 N ATOM 457 NH2 ARG A 33 -5.735 1.480 4.166 1.00 0.00 N ATOM 0 H ARG A 33 -5.918 -0.900 -3.608 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.933 0.063 -3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.709 0.663 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.615 -0.699 -1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.832 0.702 -0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.708 2.166 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.302 1.835 0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.881 0.144 1.159 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.701 2.046 1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.390 0.112 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.787 0.110 4.626 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.932 2.040 3.879 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.837 1.198 5.141 1.00 0.00 H new ATOM 471 N ASP A 34 -6.579 2.404 -4.325 1.00 0.00 N ATOM 472 CA ASP A 34 -6.503 3.794 -4.760 1.00 0.00 C ATOM 473 C ASP A 34 -5.742 4.640 -3.744 1.00 0.00 C ATOM 474 O ASP A 34 -5.972 5.844 -3.629 1.00 0.00 O ATOM 475 CB ASP A 34 -7.907 4.364 -4.967 1.00 0.00 C ATOM 476 CG ASP A 34 -8.494 3.983 -6.312 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.752 4.023 -7.316 1.00 0.00 O ATOM 478 OD2 ASP A 34 -9.695 3.645 -6.361 1.00 0.00 O ATOM 0 H ASP A 34 -6.101 1.744 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.964 3.823 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.562 4.005 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.871 5.450 -4.884 1.00 0.00 H new ATOM 483 N GLN A 35 -4.837 4.002 -3.010 1.00 0.00 N ATOM 484 CA GLN A 35 -4.044 4.696 -2.002 1.00 0.00 C ATOM 485 C GLN A 35 -2.581 4.269 -2.071 1.00 0.00 C ATOM 486 O GLN A 35 -2.257 3.128 -2.401 1.00 0.00 O ATOM 487 CB GLN A 35 -4.602 4.421 -0.605 1.00 0.00 C ATOM 488 CG GLN A 35 -5.882 5.182 -0.301 1.00 0.00 C ATOM 489 CD GLN A 35 -5.628 6.480 0.440 1.00 0.00 C ATOM 490 OE1 GLN A 35 -4.922 7.402 -0.205 1.00 0.00 O flip ATOM 491 NE2 GLN A 35 -6.061 6.653 1.580 1.00 0.00 N flip ATOM 0 H GLN A 35 -4.634 3.006 -3.094 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.101 5.766 -2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.791 3.352 -0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.848 4.684 0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.403 5.397 -1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.542 4.551 0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.599 5.918 2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.882 7.532 2.066 1.00 0.00 H new ATOM 500 N PRO A 36 -1.675 5.206 -1.753 1.00 0.00 N ATOM 501 CA PRO A 36 -0.232 4.949 -1.771 1.00 0.00 C ATOM 502 C PRO A 36 0.204 4.008 -0.654 1.00 0.00 C ATOM 503 O PRO A 36 -0.085 4.246 0.519 1.00 0.00 O ATOM 504 CB PRO A 36 0.378 6.339 -1.569 1.00 0.00 C ATOM 505 CG PRO A 36 -0.673 7.112 -0.850 1.00 0.00 C ATOM 506 CD PRO A 36 -1.990 6.587 -1.350 1.00 0.00 C ATOM 0 HA PRO A 36 0.083 4.460 -2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.299 6.287 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.629 6.804 -2.522 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.585 6.980 0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.577 8.179 -1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.755 6.615 -0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.365 7.175 -2.188 1.00 0.00 H new ATOM 514 N TRP A 37 0.901 2.940 -1.024 1.00 0.00 N ATOM 515 CA TRP A 37 1.377 1.963 -0.052 1.00 0.00 C ATOM 516 C TRP A 37 2.851 1.645 -0.276 1.00 0.00 C ATOM 517 O TRP A 37 3.371 1.812 -1.380 1.00 0.00 O ATOM 518 CB TRP A 37 0.547 0.681 -0.138 1.00 0.00 C ATOM 519 CG TRP A 37 -0.727 0.744 0.649 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.819 1.520 0.381 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.040 0.003 1.834 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.791 1.306 1.327 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.339 0.380 2.229 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.351 -0.942 2.597 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -2.959 -0.157 3.354 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -0.968 -1.474 3.714 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.261 -1.081 4.084 1.00 0.00 C ATOM 0 H TRP A 37 1.149 2.729 -1.990 1.00 0.00 H new ATOM 0 HA TRP A 37 1.265 2.394 0.943 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.311 0.479 -1.183 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.146 -0.156 0.221 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.905 2.202 -0.452 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.703 1.763 1.354 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.646 -1.252 2.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.956 0.145 3.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.444 -2.205 4.312 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.716 -1.515 4.962 1.00 0.00 H new ATOM 538 N HIS A 38 3.520 1.186 0.776 1.00 0.00 N ATOM 539 CA HIS A 38 4.936 0.844 0.693 1.00 0.00 C ATOM 540 C HIS A 38 5.123 -0.552 0.107 1.00 0.00 C ATOM 541 O HIS A 38 4.662 -1.542 0.676 1.00 0.00 O ATOM 542 CB HIS A 38 5.583 0.921 2.076 1.00 0.00 C ATOM 543 CG HIS A 38 6.168 2.264 2.389 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.187 2.798 3.660 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.759 3.181 1.588 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.763 3.987 3.627 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.120 4.242 2.381 1.00 0.00 N ATOM 0 H HIS A 38 3.105 1.042 1.696 1.00 0.00 H new ATOM 0 HA HIS A 38 5.421 1.564 0.034 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.837 0.674 2.831 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.367 0.167 2.144 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.917 3.094 0.523 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.916 4.639 4.474 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.588 5.090 2.060 1.00 0.00 H new ATOM 555 N ARG A 39 5.802 -0.624 -1.033 1.00 0.00 N ATOM 556 CA ARG A 39 6.049 -1.899 -1.697 1.00 0.00 C ATOM 557 C ARG A 39 6.282 -3.007 -0.675 1.00 0.00 C ATOM 558 O ARG A 39 5.810 -4.131 -0.845 1.00 0.00 O ATOM 559 CB ARG A 39 7.256 -1.788 -2.629 1.00 0.00 C ATOM 560 CG ARG A 39 6.913 -1.248 -4.008 1.00 0.00 C ATOM 561 CD ARG A 39 6.633 -2.372 -4.993 1.00 0.00 C ATOM 562 NE ARG A 39 6.864 -1.960 -6.375 1.00 0.00 N ATOM 563 CZ ARG A 39 7.085 -2.812 -7.369 1.00 0.00 C ATOM 564 NH1 ARG A 39 7.103 -4.117 -7.135 1.00 0.00 N ATOM 565 NH2 ARG A 39 7.287 -2.360 -8.600 1.00 0.00 N ATOM 0 H ARG A 39 6.191 0.185 -1.516 1.00 0.00 H new ATOM 0 HA ARG A 39 5.167 -2.150 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.001 -1.139 -2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.713 -2.772 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.041 -0.598 -3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.737 -0.637 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.268 -3.226 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.600 -2.703 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 39 6.855 -0.963 -6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.947 -4.468 -6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.273 -4.770 -7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.273 -1.357 -8.784 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.457 -3.016 -9.363 1.00 0.00 H new ATOM 579 N GLU A 40 7.014 -2.682 0.387 1.00 0.00 N ATOM 580 CA GLU A 40 7.312 -3.652 1.435 1.00 0.00 C ATOM 581 C GLU A 40 6.090 -3.888 2.319 1.00 0.00 C ATOM 582 O GLU A 40 5.711 -5.030 2.580 1.00 0.00 O ATOM 583 CB GLU A 40 8.487 -3.169 2.288 1.00 0.00 C ATOM 584 CG GLU A 40 8.255 -1.812 2.931 1.00 0.00 C ATOM 585 CD GLU A 40 9.451 -1.334 3.732 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.563 -1.284 3.166 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.274 -1.010 4.925 1.00 0.00 O ATOM 0 H GLU A 40 7.411 -1.756 0.544 1.00 0.00 H new ATOM 0 HA GLU A 40 7.582 -4.594 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.684 -3.903 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.380 -3.119 1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.026 -1.081 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.384 -1.868 3.584 1.00 0.00 H new ATOM 594 N CYS A 41 5.480 -2.801 2.777 1.00 0.00 N ATOM 595 CA CYS A 41 4.302 -2.888 3.633 1.00 0.00 C ATOM 596 C CYS A 41 3.189 -3.674 2.947 1.00 0.00 C ATOM 597 O CYS A 41 2.669 -4.646 3.498 1.00 0.00 O ATOM 598 CB CYS A 41 3.805 -1.488 3.995 1.00 0.00 C ATOM 599 SG CYS A 41 4.868 -0.604 5.181 1.00 0.00 S ATOM 0 H CYS A 41 5.781 -1.849 2.570 1.00 0.00 H new ATOM 0 HA CYS A 41 4.584 -3.413 4.546 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.725 -0.896 3.083 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.801 -1.567 4.412 1.00 0.00 H new ATOM 0 HG CYS A 41 4.236 0.436 5.638 1.00 0.00 H new ATOM 604 N LEU A 42 2.827 -3.248 1.742 1.00 0.00 N ATOM 605 CA LEU A 42 1.775 -3.911 0.979 1.00 0.00 C ATOM 606 C LEU A 42 1.962 -5.425 0.997 1.00 0.00 C ATOM 607 O LEU A 42 2.811 -5.965 0.287 1.00 0.00 O ATOM 608 CB LEU A 42 1.766 -3.404 -0.463 1.00 0.00 C ATOM 609 CG LEU A 42 0.676 -3.976 -1.370 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.703 -3.601 -0.847 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.858 -3.485 -2.799 1.00 0.00 C ATOM 0 H LEU A 42 3.247 -2.446 1.272 1.00 0.00 H new ATOM 0 HA LEU A 42 0.818 -3.675 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.663 -2.319 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.735 -3.624 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 42 0.761 -5.063 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.467 -4.016 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.832 -4.002 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.799 -2.516 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.073 -3.902 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.800 -2.397 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.831 -3.804 -3.172 1.00 0.00 H new ATOM 623 N VAL A 43 1.162 -6.106 1.812 1.00 0.00 N ATOM 624 CA VAL A 43 1.236 -7.558 1.919 1.00 0.00 C ATOM 625 C VAL A 43 -0.108 -8.148 2.329 1.00 0.00 C ATOM 626 O VAL A 43 -0.927 -7.478 2.958 1.00 0.00 O ATOM 627 CB VAL A 43 2.307 -7.991 2.938 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.672 -7.450 2.541 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.928 -7.529 4.337 1.00 0.00 C ATOM 0 H VAL A 43 0.455 -5.675 2.408 1.00 0.00 H new ATOM 0 HA VAL A 43 1.509 -7.935 0.933 1.00 0.00 H new ATOM 0 HB VAL A 43 2.361 -9.080 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.416 -7.766 3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.944 -7.834 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.636 -6.361 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.695 -7.843 5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.845 -6.442 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.972 -7.970 4.619 1.00 0.00 H new ATOM 639 N CYS A 44 -0.329 -9.408 1.970 1.00 0.00 N ATOM 640 CA CYS A 44 -1.574 -10.091 2.300 1.00 0.00 C ATOM 641 C CYS A 44 -1.873 -9.985 3.792 1.00 0.00 C ATOM 642 O CYS A 44 -0.964 -9.856 4.613 1.00 0.00 O ATOM 643 CB CYS A 44 -1.498 -11.562 1.887 1.00 0.00 C ATOM 644 SG CYS A 44 -3.002 -12.519 2.263 1.00 0.00 S ATOM 0 H CYS A 44 0.339 -9.977 1.450 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.382 -9.608 1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.303 -11.618 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.650 -12.026 2.390 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.163 -13.445 1.365 1.00 0.00 H new ATOM 649 N THR A 45 -3.156 -10.040 4.138 1.00 0.00 N ATOM 650 CA THR A 45 -3.576 -9.949 5.531 1.00 0.00 C ATOM 651 C THR A 45 -3.765 -11.334 6.140 1.00 0.00 C ATOM 652 O THR A 45 -4.446 -11.490 7.152 1.00 0.00 O ATOM 653 CB THR A 45 -4.890 -9.156 5.671 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.923 -8.091 4.714 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.032 -8.588 7.075 1.00 0.00 C ATOM 0 H THR A 45 -3.922 -10.147 3.473 1.00 0.00 H new ATOM 0 HA THR A 45 -2.784 -9.424 6.066 1.00 0.00 H new ATOM 0 HB THR A 45 -5.721 -9.836 5.486 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.308 -7.291 5.128 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.967 -8.032 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.035 -9.403 7.799 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.196 -7.921 7.284 1.00 0.00 H new ATOM 663 N GLY A 46 -3.156 -12.337 5.516 1.00 0.00 N ATOM 664 CA GLY A 46 -3.269 -13.697 6.011 1.00 0.00 C ATOM 665 C GLY A 46 -1.931 -14.407 6.067 1.00 0.00 C ATOM 666 O GLY A 46 -1.517 -14.886 7.123 1.00 0.00 O ATOM 0 H GLY A 46 -2.586 -12.233 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.711 -13.682 7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.948 -14.259 5.370 1.00 0.00 H new ATOM 670 N CYS A 47 -1.252 -14.477 4.926 1.00 0.00 N ATOM 671 CA CYS A 47 0.046 -15.135 4.848 1.00 0.00 C ATOM 672 C CYS A 47 1.178 -14.114 4.903 1.00 0.00 C ATOM 673 O CYS A 47 2.347 -14.476 5.036 1.00 0.00 O ATOM 674 CB CYS A 47 0.147 -15.957 3.561 1.00 0.00 C ATOM 675 SG CYS A 47 -0.128 -14.993 2.040 1.00 0.00 S ATOM 0 H CYS A 47 -1.580 -14.086 4.043 1.00 0.00 H new ATOM 0 HA CYS A 47 0.140 -15.801 5.706 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.134 -16.418 3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.581 -16.767 3.602 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.167 -14.227 2.194 1.00 0.00 H new ATOM 680 N GLN A 48 0.822 -12.838 4.800 1.00 0.00 N ATOM 681 CA GLN A 48 1.808 -11.764 4.837 1.00 0.00 C ATOM 682 C GLN A 48 2.755 -11.853 3.645 1.00 0.00 C ATOM 683 O GLN A 48 3.975 -11.820 3.803 1.00 0.00 O ATOM 684 CB GLN A 48 2.605 -11.821 6.142 1.00 0.00 C ATOM 685 CG GLN A 48 1.757 -11.597 7.383 1.00 0.00 C ATOM 686 CD GLN A 48 1.368 -10.144 7.570 1.00 0.00 C ATOM 687 OE1 GLN A 48 2.227 -9.272 7.706 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.068 -9.875 7.577 1.00 0.00 N ATOM 0 H GLN A 48 -0.142 -12.522 4.690 1.00 0.00 H new ATOM 0 HA GLN A 48 1.276 -10.814 4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.094 -12.792 6.217 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.393 -11.069 6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.855 -12.205 7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.307 -11.938 8.260 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.609 -10.629 7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.253 -8.915 7.698 1.00 0.00 H new ATOM 697 N THR A 49 2.184 -11.965 2.449 1.00 0.00 N ATOM 698 CA THR A 49 2.976 -12.060 1.230 1.00 0.00 C ATOM 699 C THR A 49 2.955 -10.746 0.457 1.00 0.00 C ATOM 700 O THR A 49 1.932 -10.067 0.368 1.00 0.00 O ATOM 701 CB THR A 49 2.466 -13.189 0.315 1.00 0.00 C ATOM 702 OG1 THR A 49 3.407 -13.430 -0.738 1.00 0.00 O ATOM 703 CG2 THR A 49 1.112 -12.833 -0.280 1.00 0.00 C ATOM 0 H THR A 49 1.175 -11.992 2.300 1.00 0.00 H new ATOM 0 HA THR A 49 3.999 -12.283 1.534 1.00 0.00 H new ATOM 0 HB THR A 49 2.355 -14.092 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.143 -13.982 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.772 -13.645 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.391 -12.679 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.202 -11.919 -0.867 1.00 0.00 H new ATOM 711 N PRO A 50 4.110 -10.378 -0.117 1.00 0.00 N ATOM 712 CA PRO A 50 4.249 -9.143 -0.894 1.00 0.00 C ATOM 713 C PRO A 50 3.496 -9.203 -2.219 1.00 0.00 C ATOM 714 O PRO A 50 3.945 -9.844 -3.171 1.00 0.00 O ATOM 715 CB PRO A 50 5.756 -9.046 -1.140 1.00 0.00 C ATOM 716 CG PRO A 50 6.244 -10.451 -1.063 1.00 0.00 C ATOM 717 CD PRO A 50 5.369 -11.139 -0.052 1.00 0.00 C ATOM 0 HA PRO A 50 3.833 -8.283 -0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.971 -8.605 -2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.239 -8.418 -0.392 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.177 -10.941 -2.034 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.291 -10.484 -0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.217 -12.189 -0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.807 -11.108 0.946 1.00 0.00 H new ATOM 725 N LEU A 51 2.350 -8.534 -2.274 1.00 0.00 N ATOM 726 CA LEU A 51 1.535 -8.511 -3.484 1.00 0.00 C ATOM 727 C LEU A 51 2.035 -7.449 -4.458 1.00 0.00 C ATOM 728 O LEU A 51 1.346 -7.097 -5.415 1.00 0.00 O ATOM 729 CB LEU A 51 0.070 -8.247 -3.131 1.00 0.00 C ATOM 730 CG LEU A 51 -0.514 -9.102 -2.005 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.635 -8.358 -1.296 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.015 -10.431 -2.551 1.00 0.00 C ATOM 0 H LEU A 51 1.964 -8.000 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 51 1.616 -9.486 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.033 -7.198 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.532 -8.401 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 51 0.275 -9.303 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.038 -8.982 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.246 -7.433 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.426 -8.126 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.427 -11.027 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.790 -10.249 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.187 -10.970 -3.012 1.00 0.00 H new ATOM 744 N ALA A 52 3.238 -6.944 -4.208 1.00 0.00 N ATOM 745 CA ALA A 52 3.832 -5.925 -5.065 1.00 0.00 C ATOM 746 C ALA A 52 3.738 -6.321 -6.534 1.00 0.00 C ATOM 747 O ALA A 52 4.553 -7.096 -7.032 1.00 0.00 O ATOM 748 CB ALA A 52 5.283 -5.686 -4.672 1.00 0.00 C ATOM 0 H ALA A 52 3.821 -7.224 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 52 3.273 -4.999 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.714 -4.923 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.329 -5.351 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.846 -6.613 -4.778 1.00 0.00 H new ATOM 754 N GLY A 53 2.736 -5.784 -7.224 1.00 0.00 N ATOM 755 CA GLY A 53 2.554 -6.094 -8.630 1.00 0.00 C ATOM 756 C GLY A 53 2.123 -7.530 -8.856 1.00 0.00 C ATOM 757 O GLY A 53 2.518 -8.154 -9.840 1.00 0.00 O ATOM 0 H GLY A 53 2.047 -5.140 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.807 -5.423 -9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.487 -5.910 -9.163 1.00 0.00 H new ATOM 761 N GLN A 54 1.313 -8.054 -7.942 1.00 0.00 N ATOM 762 CA GLN A 54 0.832 -9.426 -8.046 1.00 0.00 C ATOM 763 C GLN A 54 -0.688 -9.462 -8.168 1.00 0.00 C ATOM 764 O GLN A 54 -1.375 -8.527 -7.758 1.00 0.00 O ATOM 765 CB GLN A 54 1.276 -10.239 -6.828 1.00 0.00 C ATOM 766 CG GLN A 54 0.630 -11.612 -6.744 1.00 0.00 C ATOM 767 CD GLN A 54 1.428 -12.582 -5.896 1.00 0.00 C ATOM 768 OE1 GLN A 54 2.654 -12.647 -5.994 1.00 0.00 O ATOM 769 NE2 GLN A 54 0.737 -13.342 -5.055 1.00 0.00 N ATOM 0 H GLN A 54 0.976 -7.550 -7.122 1.00 0.00 H new ATOM 0 HA GLN A 54 1.262 -9.867 -8.945 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.359 -10.358 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.040 -9.680 -5.923 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.373 -11.513 -6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.520 -12.020 -7.749 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.278 -13.256 -5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.221 -14.012 -4.458 1.00 0.00 H new ATOM 778 N GLN A 55 -1.206 -10.547 -8.735 1.00 0.00 N ATOM 779 CA GLN A 55 -2.645 -10.703 -8.912 1.00 0.00 C ATOM 780 C GLN A 55 -3.320 -11.059 -7.592 1.00 0.00 C ATOM 781 O GLN A 55 -3.147 -12.161 -7.071 1.00 0.00 O ATOM 782 CB GLN A 55 -2.937 -11.783 -9.956 1.00 0.00 C ATOM 783 CG GLN A 55 -2.341 -13.138 -9.613 1.00 0.00 C ATOM 784 CD GLN A 55 -2.397 -14.111 -10.774 1.00 0.00 C ATOM 785 OE1 GLN A 55 -3.114 -13.890 -11.750 1.00 0.00 O ATOM 786 NE2 GLN A 55 -1.638 -15.196 -10.674 1.00 0.00 N ATOM 0 H GLN A 55 -0.651 -11.330 -9.079 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.049 -9.752 -9.260 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.016 -11.888 -10.066 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.548 -11.458 -10.921 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.304 -13.007 -9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.876 -13.561 -8.763 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.059 -15.339 -9.847 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.634 -15.887 -11.425 1.00 0.00 H new ATOM 795 N PHE A 56 -4.091 -10.119 -7.054 1.00 0.00 N ATOM 796 CA PHE A 56 -4.791 -10.333 -5.794 1.00 0.00 C ATOM 797 C PHE A 56 -6.109 -9.565 -5.767 1.00 0.00 C ATOM 798 O PHE A 56 -6.450 -8.858 -6.716 1.00 0.00 O ATOM 799 CB PHE A 56 -3.913 -9.902 -4.618 1.00 0.00 C ATOM 800 CG PHE A 56 -3.683 -8.419 -4.553 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.598 -7.590 -3.925 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.552 -7.855 -5.120 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.389 -6.225 -3.866 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.337 -6.490 -5.063 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.257 -5.675 -4.434 1.00 0.00 C ATOM 0 H PHE A 56 -4.246 -9.202 -7.472 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.009 -11.397 -5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.378 -10.231 -3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.950 -10.408 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.484 -8.015 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.829 -8.489 -5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.111 -5.589 -3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.451 -6.063 -5.510 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.091 -4.609 -4.386 1.00 0.00 H new ATOM 815 N THR A 57 -6.850 -9.709 -4.672 1.00 0.00 N ATOM 816 CA THR A 57 -8.131 -9.032 -4.521 1.00 0.00 C ATOM 817 C THR A 57 -8.268 -8.417 -3.132 1.00 0.00 C ATOM 818 O THR A 57 -7.649 -8.882 -2.174 1.00 0.00 O ATOM 819 CB THR A 57 -9.308 -9.996 -4.761 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.550 -9.300 -4.608 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.254 -11.168 -3.793 1.00 0.00 C ATOM 0 H THR A 57 -6.584 -10.289 -3.877 1.00 0.00 H new ATOM 0 HA THR A 57 -8.160 -8.241 -5.270 1.00 0.00 H new ATOM 0 HB THR A 57 -9.231 -10.382 -5.777 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.293 -9.919 -4.764 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.095 -11.835 -3.982 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.320 -11.713 -3.933 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.308 -10.797 -2.769 1.00 0.00 H new ATOM 829 N SER A 58 -9.081 -7.372 -3.030 1.00 0.00 N ATOM 830 CA SER A 58 -9.297 -6.692 -1.758 1.00 0.00 C ATOM 831 C SER A 58 -10.609 -7.137 -1.120 1.00 0.00 C ATOM 832 O SER A 58 -11.611 -7.335 -1.807 1.00 0.00 O ATOM 833 CB SER A 58 -9.304 -5.175 -1.962 1.00 0.00 C ATOM 834 OG SER A 58 -10.296 -4.791 -2.898 1.00 0.00 O ATOM 0 H SER A 58 -9.602 -6.977 -3.813 1.00 0.00 H new ATOM 0 HA SER A 58 -8.479 -6.958 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.486 -4.678 -1.009 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.325 -4.847 -2.310 1.00 0.00 H new ATOM 0 HG SER A 58 -10.281 -3.817 -3.009 1.00 0.00 H new ATOM 840 N ARG A 59 -10.594 -7.292 0.200 1.00 0.00 N ATOM 841 CA ARG A 59 -11.782 -7.715 0.933 1.00 0.00 C ATOM 842 C ARG A 59 -11.903 -6.960 2.254 1.00 0.00 C ATOM 843 O ARG A 59 -10.942 -6.867 3.017 1.00 0.00 O ATOM 844 CB ARG A 59 -11.735 -9.221 1.196 1.00 0.00 C ATOM 845 CG ARG A 59 -13.034 -9.783 1.750 1.00 0.00 C ATOM 846 CD ARG A 59 -14.093 -9.911 0.667 1.00 0.00 C ATOM 847 NE ARG A 59 -15.436 -10.036 1.226 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.534 -10.133 0.485 1.00 0.00 C ATOM 849 NH1 ARG A 59 -16.449 -10.119 -0.838 1.00 0.00 N ATOM 850 NH2 ARG A 59 -17.721 -10.245 1.068 1.00 0.00 N ATOM 0 H ARG A 59 -9.773 -7.131 0.784 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.656 -7.487 0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.493 -9.736 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.928 -9.434 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.848 -10.760 2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.402 -9.135 2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.052 -9.039 0.015 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.875 -10.782 0.049 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.536 -10.050 2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.538 -10.034 -1.290 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.294 -10.194 -1.404 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.790 -10.257 2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.564 -10.319 0.498 1.00 0.00 H new ATOM 864 N ASP A 60 -13.090 -6.423 2.515 1.00 0.00 N ATOM 865 CA ASP A 60 -13.337 -5.677 3.743 1.00 0.00 C ATOM 866 C ASP A 60 -12.205 -4.692 4.018 1.00 0.00 C ATOM 867 O ASP A 60 -11.770 -4.536 5.159 1.00 0.00 O ATOM 868 CB ASP A 60 -13.494 -6.636 4.925 1.00 0.00 C ATOM 869 CG ASP A 60 -14.664 -7.584 4.750 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.002 -7.902 3.591 1.00 0.00 O ATOM 871 OD2 ASP A 60 -15.244 -8.006 5.773 1.00 0.00 O ATOM 0 H ASP A 60 -13.896 -6.490 1.893 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.262 -5.114 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.577 -7.213 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.630 -6.060 5.841 1.00 0.00 H new ATOM 876 N GLU A 61 -11.733 -4.032 2.966 1.00 0.00 N ATOM 877 CA GLU A 61 -10.651 -3.064 3.095 1.00 0.00 C ATOM 878 C GLU A 61 -9.364 -3.744 3.554 1.00 0.00 C ATOM 879 O GLU A 61 -8.689 -3.267 4.466 1.00 0.00 O ATOM 880 CB GLU A 61 -11.038 -1.961 4.082 1.00 0.00 C ATOM 881 CG GLU A 61 -12.345 -1.267 3.739 1.00 0.00 C ATOM 882 CD GLU A 61 -12.389 0.169 4.223 1.00 0.00 C ATOM 883 OE1 GLU A 61 -12.767 0.390 5.392 1.00 0.00 O ATOM 884 OE2 GLU A 61 -12.044 1.072 3.432 1.00 0.00 O ATOM 0 H GLU A 61 -12.083 -4.150 2.015 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.477 -2.620 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.116 -2.390 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.240 -1.219 4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.490 -1.287 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.173 -1.821 4.182 1.00 0.00 H new ATOM 891 N ASP A 62 -9.033 -4.861 2.915 1.00 0.00 N ATOM 892 CA ASP A 62 -7.828 -5.608 3.257 1.00 0.00 C ATOM 893 C ASP A 62 -7.324 -6.405 2.057 1.00 0.00 C ATOM 894 O ASP A 62 -8.050 -7.200 1.461 1.00 0.00 O ATOM 895 CB ASP A 62 -8.100 -6.548 4.432 1.00 0.00 C ATOM 896 CG ASP A 62 -8.016 -5.842 5.770 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.044 -5.087 5.984 1.00 0.00 O ATOM 898 OD2 ASP A 62 -8.923 -6.042 6.605 1.00 0.00 O ATOM 0 H ASP A 62 -9.582 -5.269 2.158 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.057 -4.893 3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.090 -6.989 4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.382 -7.368 4.411 1.00 0.00 H new ATOM 903 N PRO A 63 -6.051 -6.188 1.694 1.00 0.00 N ATOM 904 CA PRO A 63 -5.423 -6.876 0.563 1.00 0.00 C ATOM 905 C PRO A 63 -5.194 -8.358 0.840 1.00 0.00 C ATOM 906 O PRO A 63 -4.386 -8.721 1.695 1.00 0.00 O ATOM 907 CB PRO A 63 -4.085 -6.148 0.404 1.00 0.00 C ATOM 908 CG PRO A 63 -3.794 -5.593 1.755 1.00 0.00 C ATOM 909 CD PRO A 63 -5.128 -5.254 2.360 1.00 0.00 C ATOM 0 HA PRO A 63 -6.048 -6.848 -0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.299 -6.830 0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.151 -5.357 -0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.261 -6.319 2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.161 -4.708 1.685 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.126 -5.393 3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.402 -4.216 2.173 1.00 0.00 H new ATOM 917 N TYR A 64 -5.909 -9.208 0.113 1.00 0.00 N ATOM 918 CA TYR A 64 -5.784 -10.651 0.282 1.00 0.00 C ATOM 919 C TYR A 64 -5.346 -11.317 -1.019 1.00 0.00 C ATOM 920 O TYR A 64 -5.911 -11.061 -2.082 1.00 0.00 O ATOM 921 CB TYR A 64 -7.113 -11.247 0.750 1.00 0.00 C ATOM 922 CG TYR A 64 -7.396 -11.018 2.218 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.771 -11.785 3.194 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.287 -10.034 2.628 1.00 0.00 C ATOM 925 CE1 TYR A 64 -7.027 -11.580 4.536 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.548 -9.821 3.968 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.916 -10.597 4.918 1.00 0.00 C ATOM 928 OH TYR A 64 -8.173 -10.388 6.254 1.00 0.00 O ATOM 0 H TYR A 64 -6.581 -8.923 -0.599 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.022 -10.838 1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.922 -10.816 0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.111 -12.319 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.073 -12.554 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.784 -9.425 1.887 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.534 -12.186 5.282 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.243 -9.051 4.270 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.821 -9.659 6.352 1.00 0.00 H new ATOM 938 N CYS A 65 -4.334 -12.173 -0.925 1.00 0.00 N ATOM 939 CA CYS A 65 -3.818 -12.877 -2.093 1.00 0.00 C ATOM 940 C CYS A 65 -4.772 -13.986 -2.526 1.00 0.00 C ATOM 941 O CYS A 65 -5.475 -14.572 -1.702 1.00 0.00 O ATOM 942 CB CYS A 65 -2.438 -13.466 -1.791 1.00 0.00 C ATOM 943 SG CYS A 65 -2.484 -15.010 -0.825 1.00 0.00 S ATOM 0 H CYS A 65 -3.855 -12.396 -0.052 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.729 -12.159 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.921 -13.654 -2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.850 -12.727 -1.247 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.651 -14.925 0.169 1.00 0.00 H new ATOM 948 N VAL A 66 -4.792 -14.270 -3.824 1.00 0.00 N ATOM 949 CA VAL A 66 -5.658 -15.309 -4.367 1.00 0.00 C ATOM 950 C VAL A 66 -5.599 -16.573 -3.517 1.00 0.00 C ATOM 951 O VAL A 66 -6.597 -17.276 -3.360 1.00 0.00 O ATOM 952 CB VAL A 66 -5.274 -15.660 -5.817 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.182 -16.752 -6.361 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.330 -14.420 -6.697 1.00 0.00 C ATOM 0 H VAL A 66 -4.218 -13.794 -4.520 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.673 -14.913 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.251 -16.036 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.895 -16.986 -7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.086 -17.646 -5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.216 -16.408 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.056 -14.686 -7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.341 -14.012 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.633 -13.673 -6.317 1.00 0.00 H new ATOM 964 N ALA A 67 -4.421 -16.857 -2.970 1.00 0.00 N ATOM 965 CA ALA A 67 -4.232 -18.036 -2.133 1.00 0.00 C ATOM 966 C ALA A 67 -5.106 -17.969 -0.885 1.00 0.00 C ATOM 967 O ALA A 67 -5.656 -18.980 -0.446 1.00 0.00 O ATOM 968 CB ALA A 67 -2.767 -18.179 -1.747 1.00 0.00 C ATOM 0 H ALA A 67 -3.584 -16.287 -3.091 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.532 -18.912 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.640 -19.063 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.162 -18.281 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.448 -17.295 -1.194 1.00 0.00 H new ATOM 974 N CYS A 68 -5.229 -16.774 -0.318 1.00 0.00 N ATOM 975 CA CYS A 68 -6.036 -16.576 0.880 1.00 0.00 C ATOM 976 C CYS A 68 -7.501 -16.353 0.519 1.00 0.00 C ATOM 977 O CYS A 68 -8.393 -16.996 1.072 1.00 0.00 O ATOM 978 CB CYS A 68 -5.510 -15.384 1.683 1.00 0.00 C ATOM 979 SG CYS A 68 -4.018 -15.748 2.663 1.00 0.00 S ATOM 0 H CYS A 68 -4.780 -15.928 -0.669 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.964 -17.477 1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.290 -14.566 0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.296 -15.036 2.353 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.288 -14.676 2.756 1.00 0.00 H new ATOM 984 N PHE A 69 -7.742 -15.437 -0.413 1.00 0.00 N ATOM 985 CA PHE A 69 -9.099 -15.128 -0.849 1.00 0.00 C ATOM 986 C PHE A 69 -9.894 -16.405 -1.100 1.00 0.00 C ATOM 987 O PHE A 69 -11.023 -16.549 -0.633 1.00 0.00 O ATOM 988 CB PHE A 69 -9.068 -14.275 -2.119 1.00 0.00 C ATOM 989 CG PHE A 69 -10.410 -14.134 -2.779 1.00 0.00 C ATOM 990 CD1 PHE A 69 -10.844 -15.070 -3.704 1.00 0.00 C ATOM 991 CD2 PHE A 69 -11.238 -13.065 -2.475 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.078 -14.942 -4.313 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.473 -12.932 -3.081 1.00 0.00 C ATOM 994 CZ PHE A 69 -12.894 -13.873 -4.000 1.00 0.00 C ATOM 0 H PHE A 69 -7.015 -14.896 -0.881 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.590 -14.566 -0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.687 -13.284 -1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.368 -14.718 -2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.211 -15.909 -3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.914 -12.327 -1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.404 -15.678 -5.033 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -13.108 -12.093 -2.836 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.860 -13.773 -4.473 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.296 -17.332 -1.843 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.962 -18.585 -2.145 1.00 0.00 C ATOM 1006 C GLY A 70 -9.694 -19.650 -1.100 1.00 0.00 C ATOM 1007 O GLY A 70 -9.730 -20.843 -1.398 1.00 0.00 O ATOM 0 H GLY A 70 -8.362 -17.237 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.036 -18.414 -2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.630 -18.944 -3.119 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.422 -19.218 0.128 1.00 0.00 N ATOM 1012 CA GLU A 71 -9.144 -20.144 1.219 1.00 0.00 C ATOM 1013 C GLU A 71 -9.901 -19.741 2.481 1.00 0.00 C ATOM 1014 O GLU A 71 -10.357 -20.593 3.245 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.642 -20.194 1.506 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.897 -21.224 0.674 1.00 0.00 C ATOM 1017 CD GLU A 71 -7.427 -22.631 0.877 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -8.396 -23.006 0.184 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -6.872 -23.356 1.729 1.00 0.00 O ATOM 0 H GLU A 71 -9.388 -18.233 0.391 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.481 -21.135 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.212 -19.210 1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.490 -20.414 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.975 -20.959 -0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.838 -21.198 0.932 1.00 0.00 H new ATOM 1026 N LEU A 72 -10.030 -18.436 2.695 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.730 -17.918 3.865 1.00 0.00 C ATOM 1028 C LEU A 72 -12.202 -17.668 3.551 1.00 0.00 C ATOM 1029 O LEU A 72 -13.089 -18.249 4.177 1.00 0.00 O ATOM 1030 CB LEU A 72 -10.073 -16.623 4.345 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.683 -16.767 4.967 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.679 -17.238 3.925 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.236 -15.450 5.584 1.00 0.00 C ATOM 0 H LEU A 72 -9.659 -17.717 2.073 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.667 -18.665 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.002 -15.940 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.731 -16.155 5.078 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.735 -17.516 5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.696 -17.335 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.991 -18.204 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.630 -16.512 3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.245 -15.571 6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.200 -14.680 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.942 -15.154 6.360 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.455 -16.800 2.577 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.820 -16.474 2.179 1.00 0.00 C ATOM 1047 C PHE A 73 -14.486 -17.664 1.495 1.00 0.00 C ATOM 1048 O PHE A 73 -15.644 -17.980 1.765 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.825 -15.265 1.242 1.00 0.00 C ATOM 1050 CG PHE A 73 -12.834 -14.204 1.627 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -12.870 -13.628 2.887 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.866 -13.783 0.730 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -11.960 -12.651 3.243 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -10.953 -12.807 1.080 1.00 0.00 C ATOM 1055 CZ PHE A 73 -10.999 -12.241 2.339 1.00 0.00 C ATOM 0 H PHE A 73 -11.733 -16.310 2.049 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.386 -16.231 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.610 -15.601 0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.824 -14.830 1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -13.618 -13.946 3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.825 -14.223 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.000 -12.208 4.227 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.204 -12.487 0.370 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.285 -11.479 2.616 1.00 0.00 H new