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 155:sc= -0.0899 USER MOD Set 1.2: A 47 CYS SG : rot -45:sc= 0.462 USER MOD Set 1.3: A 65 CYS SG : rot -132:sc= -0.99! USER MOD Set 1.4: A 68 CYS SG : rot 156:sc= 0.206 USER MOD Set 2.1: A 18 CYS SG : rot 20:sc= -1.46! USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0.0862 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -3.77! C(o=-6!,f=-8.1!) USER MOD Set 2.4: A 41 CYS SG : rot -162:sc= -0.873 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= -0.371 (180deg=-1.26) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0778 USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00891 USER MOD Single : A 35 GLN : amide:sc= -0.791 K(o=-0.79,f=-2.6) USER MOD Single : A 45 THR OG1 : rot -110:sc= -0.0366 USER MOD Single : A 48 GLN : amide:sc= 0.0256 X(o=0.026,f=-0.34) USER MOD Single : A 49 THR OG1 : rot 80:sc= -0.929 USER MOD Single : A 54 GLN : amide:sc= -0.532 K(o=-0.53,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.356 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 3.157 11.408 -2.479 1.00 0.00 N ATOM 194 CA PRO A 16 2.369 10.395 -1.771 1.00 0.00 C ATOM 195 C PRO A 16 3.161 9.718 -0.658 1.00 0.00 C ATOM 196 O PRO A 16 4.382 9.583 -0.745 1.00 0.00 O ATOM 197 CB PRO A 16 2.021 9.386 -2.869 1.00 0.00 C ATOM 198 CG PRO A 16 3.100 9.543 -3.884 1.00 0.00 C ATOM 199 CD PRO A 16 3.490 10.995 -3.853 1.00 0.00 C ATOM 0 HA PRO A 16 1.498 10.827 -1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.991 8.369 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.040 9.591 -3.299 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.952 8.905 -3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.749 9.254 -4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.550 11.131 -4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.938 11.575 -4.592 1.00 0.00 H new ATOM 207 N ARG A 17 2.459 9.294 0.388 1.00 0.00 N ATOM 208 CA ARG A 17 3.098 8.632 1.519 1.00 0.00 C ATOM 209 C ARG A 17 2.352 7.354 1.892 1.00 0.00 C ATOM 210 O ARG A 17 1.122 7.314 1.880 1.00 0.00 O ATOM 211 CB ARG A 17 3.152 9.573 2.724 1.00 0.00 C ATOM 212 CG ARG A 17 3.750 10.934 2.407 1.00 0.00 C ATOM 213 CD ARG A 17 3.645 11.879 3.594 1.00 0.00 C ATOM 214 NE ARG A 17 3.955 13.257 3.226 1.00 0.00 N ATOM 215 CZ ARG A 17 5.166 13.793 3.338 1.00 0.00 C ATOM 216 NH1 ARG A 17 6.174 13.070 3.806 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.370 15.055 2.982 1.00 0.00 N ATOM 0 H ARG A 17 1.448 9.397 0.476 1.00 0.00 H new ATOM 0 HA ARG A 17 4.114 8.368 1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.143 9.710 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.737 9.104 3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.797 10.816 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.236 11.367 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.637 11.832 4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.326 11.552 4.379 1.00 0.00 H new ATOM 0 HE ARG A 17 3.201 13.840 2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.021 12.100 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.102 13.484 3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.597 15.615 2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.300 15.465 3.068 1.00 0.00 H new ATOM 231 N CYS A 18 3.106 6.310 2.222 1.00 0.00 N ATOM 232 CA CYS A 18 2.519 5.030 2.597 1.00 0.00 C ATOM 233 C CYS A 18 1.280 5.233 3.466 1.00 0.00 C ATOM 234 O CYS A 18 1.329 5.927 4.481 1.00 0.00 O ATOM 235 CB CYS A 18 3.544 4.174 3.344 1.00 0.00 C ATOM 236 SG CYS A 18 2.959 2.496 3.747 1.00 0.00 S ATOM 0 H CYS A 18 4.126 6.326 2.237 1.00 0.00 H new ATOM 0 HA CYS A 18 2.221 4.514 1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.447 4.097 2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.822 4.682 4.268 1.00 0.00 H new ATOM 0 HG CYS A 18 1.958 2.189 2.977 1.00 0.00 H new ATOM 241 N ALA A 19 0.172 4.623 3.058 1.00 0.00 N ATOM 242 CA ALA A 19 -1.078 4.735 3.799 1.00 0.00 C ATOM 243 C ALA A 19 -0.959 4.092 5.176 1.00 0.00 C ATOM 244 O ALA A 19 -1.810 4.296 6.042 1.00 0.00 O ATOM 245 CB ALA A 19 -2.216 4.100 3.013 1.00 0.00 C ATOM 0 H ALA A 19 0.115 4.046 2.219 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.295 5.794 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.144 4.191 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.324 4.608 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.997 3.046 2.843 1.00 0.00 H new ATOM 251 N ARG A 20 0.100 3.313 5.371 1.00 0.00 N ATOM 252 CA ARG A 20 0.328 2.638 6.643 1.00 0.00 C ATOM 253 C ARG A 20 1.211 3.483 7.556 1.00 0.00 C ATOM 254 O ARG A 20 0.845 3.775 8.695 1.00 0.00 O ATOM 255 CB ARG A 20 0.976 1.272 6.410 1.00 0.00 C ATOM 256 CG ARG A 20 1.480 0.612 7.683 1.00 0.00 C ATOM 257 CD ARG A 20 0.330 0.159 8.569 1.00 0.00 C ATOM 258 NE ARG A 20 0.759 -0.817 9.567 1.00 0.00 N ATOM 259 CZ ARG A 20 0.089 -1.066 10.687 1.00 0.00 C ATOM 260 NH1 ARG A 20 -1.036 -0.416 10.949 1.00 0.00 N ATOM 261 NH2 ARG A 20 0.544 -1.969 11.546 1.00 0.00 N ATOM 0 H ARG A 20 0.813 3.134 4.664 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.637 2.497 7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.252 0.613 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.809 1.388 5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.103 -0.245 7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.110 1.312 8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.103 1.024 9.071 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.455 -0.276 7.950 1.00 0.00 H new ATOM 0 HE ARG A 20 1.620 -1.336 9.395 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.390 0.278 10.290 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.548 -0.609 11.810 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.408 -2.472 11.347 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.029 -2.160 12.406 1.00 0.00 H new ATOM 275 N CYS A 21 2.376 3.872 7.049 1.00 0.00 N ATOM 276 CA CYS A 21 3.313 4.682 7.818 1.00 0.00 C ATOM 277 C CYS A 21 3.175 6.159 7.461 1.00 0.00 C ATOM 278 O CYS A 21 3.229 7.027 8.332 1.00 0.00 O ATOM 279 CB CYS A 21 4.748 4.217 7.566 1.00 0.00 C ATOM 280 SG CYS A 21 4.908 2.428 7.262 1.00 0.00 S ATOM 0 H CYS A 21 2.694 3.639 6.108 1.00 0.00 H new ATOM 0 HA CYS A 21 3.079 4.558 8.875 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.148 4.758 6.708 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.362 4.485 8.426 1.00 0.00 H new ATOM 0 HG CYS A 21 6.157 2.133 7.058 1.00 0.00 H new ATOM 285 N SER A 22 2.997 6.437 6.173 1.00 0.00 N ATOM 286 CA SER A 22 2.854 7.808 5.700 1.00 0.00 C ATOM 287 C SER A 22 4.189 8.545 5.761 1.00 0.00 C ATOM 288 O SER A 22 4.275 9.655 6.286 1.00 0.00 O ATOM 289 CB SER A 22 1.809 8.552 6.533 1.00 0.00 C ATOM 290 OG SER A 22 1.236 9.619 5.798 1.00 0.00 O ATOM 0 H SER A 22 2.948 5.730 5.439 1.00 0.00 H new ATOM 0 HA SER A 22 2.523 7.775 4.662 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.027 7.859 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.272 8.939 7.441 1.00 0.00 H new ATOM 0 HG SER A 22 0.570 10.078 6.352 1.00 0.00 H new ATOM 296 N LYS A 23 5.228 7.920 5.219 1.00 0.00 N ATOM 297 CA LYS A 23 6.560 8.514 5.209 1.00 0.00 C ATOM 298 C LYS A 23 6.806 9.275 3.910 1.00 0.00 C ATOM 299 O LYS A 23 6.775 10.506 3.883 1.00 0.00 O ATOM 300 CB LYS A 23 7.626 7.431 5.389 1.00 0.00 C ATOM 301 CG LYS A 23 7.463 6.623 6.664 1.00 0.00 C ATOM 302 CD LYS A 23 8.070 7.339 7.859 1.00 0.00 C ATOM 303 CE LYS A 23 9.531 6.962 8.051 1.00 0.00 C ATOM 304 NZ LYS A 23 10.424 7.715 7.127 1.00 0.00 N ATOM 0 H LYS A 23 5.174 7.001 4.780 1.00 0.00 H new ATOM 0 HA LYS A 23 6.623 9.218 6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.594 6.756 4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.611 7.899 5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.404 6.440 6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.938 5.649 6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.986 8.417 7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.507 7.089 8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.825 7.160 9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.655 5.892 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.374 7.787 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.483 7.215 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.040 8.669 6.973 1.00 0.00 H new ATOM 318 N THR A 24 7.051 8.534 2.833 1.00 0.00 N ATOM 319 CA THR A 24 7.302 9.139 1.531 1.00 0.00 C ATOM 320 C THR A 24 7.401 8.077 0.442 1.00 0.00 C ATOM 321 O THR A 24 7.884 6.970 0.682 1.00 0.00 O ATOM 322 CB THR A 24 8.598 9.972 1.539 1.00 0.00 C ATOM 323 OG1 THR A 24 9.469 9.513 2.579 1.00 0.00 O ATOM 324 CG2 THR A 24 8.292 11.448 1.742 1.00 0.00 C ATOM 0 H THR A 24 7.081 7.514 2.837 1.00 0.00 H new ATOM 0 HA THR A 24 6.458 9.796 1.319 1.00 0.00 H new ATOM 0 HB THR A 24 9.089 9.849 0.574 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.291 10.046 2.576 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.223 12.016 1.744 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.653 11.802 0.933 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.781 11.586 2.695 1.00 0.00 H new ATOM 332 N LEU A 25 6.941 8.421 -0.756 1.00 0.00 N ATOM 333 CA LEU A 25 6.978 7.497 -1.884 1.00 0.00 C ATOM 334 C LEU A 25 7.480 8.195 -3.144 1.00 0.00 C ATOM 335 O LEU A 25 6.693 8.580 -4.009 1.00 0.00 O ATOM 336 CB LEU A 25 5.588 6.908 -2.133 1.00 0.00 C ATOM 337 CG LEU A 25 5.046 5.983 -1.043 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.533 6.106 -0.942 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.449 4.542 -1.318 1.00 0.00 C ATOM 0 H LEU A 25 6.538 9.333 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 25 7.669 6.690 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.885 7.731 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.613 6.355 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 25 5.479 6.284 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.165 5.440 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.267 7.134 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.081 5.832 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.055 3.898 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.045 4.229 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.536 4.466 -1.338 1.00 0.00 H new ATOM 396 N VAL A 30 4.046 1.687 -4.723 1.00 0.00 N ATOM 397 CA VAL A 30 2.839 1.068 -5.259 1.00 0.00 C ATOM 398 C VAL A 30 1.586 1.720 -4.687 1.00 0.00 C ATOM 399 O VAL A 30 1.656 2.499 -3.735 1.00 0.00 O ATOM 400 CB VAL A 30 2.802 -0.442 -4.956 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.826 -1.182 -5.804 1.00 0.00 C ATOM 402 CG2 VAL A 30 3.041 -0.695 -3.475 1.00 0.00 C ATOM 0 HA VAL A 30 2.860 1.215 -6.339 1.00 0.00 H new ATOM 0 HB VAL A 30 1.812 -0.822 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.785 -2.247 -5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.604 -1.028 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.824 -0.802 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.011 -1.767 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.017 -0.301 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.266 -0.198 -2.891 1.00 0.00 H new ATOM 412 N THR A 31 0.437 1.398 -5.274 1.00 0.00 N ATOM 413 CA THR A 31 -0.833 1.953 -4.824 1.00 0.00 C ATOM 414 C THR A 31 -1.908 0.876 -4.749 1.00 0.00 C ATOM 415 O THR A 31 -2.252 0.256 -5.756 1.00 0.00 O ATOM 416 CB THR A 31 -1.316 3.080 -5.757 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.330 3.854 -5.107 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.862 2.510 -7.057 1.00 0.00 C ATOM 0 H THR A 31 0.361 0.755 -6.062 1.00 0.00 H new ATOM 0 HA THR A 31 -0.663 2.363 -3.828 1.00 0.00 H new ATOM 0 HB THR A 31 -0.464 3.719 -5.988 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.630 4.569 -5.706 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.197 3.325 -7.699 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.079 1.946 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.702 1.850 -6.840 1.00 0.00 H new ATOM 426 N TYR A 32 -2.437 0.657 -3.550 1.00 0.00 N ATOM 427 CA TYR A 32 -3.473 -0.348 -3.344 1.00 0.00 C ATOM 428 C TYR A 32 -4.800 0.306 -2.972 1.00 0.00 C ATOM 429 O TYR A 32 -4.832 1.317 -2.271 1.00 0.00 O ATOM 430 CB TYR A 32 -3.051 -1.329 -2.249 1.00 0.00 C ATOM 431 CG TYR A 32 -4.213 -2.038 -1.590 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.885 -3.065 -2.241 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.639 -1.680 -0.317 1.00 0.00 C ATOM 434 CE1 TYR A 32 -5.947 -3.715 -1.643 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.699 -2.325 0.289 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.350 -3.342 -0.378 1.00 0.00 C ATOM 437 OH TYR A 32 -7.408 -3.986 0.222 1.00 0.00 O ATOM 0 H TYR A 32 -2.165 1.162 -2.706 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.606 -0.892 -4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.379 -2.072 -2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.486 -0.790 -1.488 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.572 -3.360 -3.232 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.132 -0.883 0.208 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.459 -4.511 -2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.017 -2.035 1.280 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.562 -3.603 1.111 1.00 0.00 H new ATOM 447 N ARG A 33 -5.895 -0.279 -3.447 1.00 0.00 N ATOM 448 CA ARG A 33 -7.226 0.246 -3.166 1.00 0.00 C ATOM 449 C ARG A 33 -7.285 1.747 -3.432 1.00 0.00 C ATOM 450 O ARG A 33 -7.947 2.490 -2.707 1.00 0.00 O ATOM 451 CB ARG A 33 -7.614 -0.042 -1.715 1.00 0.00 C ATOM 452 CG ARG A 33 -6.817 0.761 -0.700 1.00 0.00 C ATOM 453 CD ARG A 33 -7.510 0.794 0.653 1.00 0.00 C ATOM 454 NE ARG A 33 -6.766 1.584 1.630 1.00 0.00 N ATOM 455 CZ ARG A 33 -7.077 1.640 2.920 1.00 0.00 C ATOM 456 NH1 ARG A 33 -8.112 0.954 3.386 1.00 0.00 N ATOM 457 NH2 ARG A 33 -6.352 2.382 3.747 1.00 0.00 N ATOM 0 H ARG A 33 -5.887 -1.117 -4.028 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.934 -0.251 -3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.675 0.171 -1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.475 -1.104 -1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.823 0.327 -0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.681 1.779 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.511 1.210 0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.628 -0.224 1.025 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.963 2.122 1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.671 0.382 2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.349 0.999 4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.555 2.910 3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.592 2.424 4.738 1.00 0.00 H new ATOM 471 N ASP A 34 -6.589 2.186 -4.474 1.00 0.00 N ATOM 472 CA ASP A 34 -6.562 3.598 -4.836 1.00 0.00 C ATOM 473 C ASP A 34 -5.824 4.416 -3.781 1.00 0.00 C ATOM 474 O ASP A 34 -6.081 5.608 -3.615 1.00 0.00 O ATOM 475 CB ASP A 34 -7.987 4.130 -5.006 1.00 0.00 C ATOM 476 CG ASP A 34 -8.017 5.527 -5.595 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.462 5.718 -6.696 1.00 0.00 O ATOM 478 OD2 ASP A 34 -8.595 6.429 -4.953 1.00 0.00 O ATOM 0 H ASP A 34 -6.035 1.584 -5.084 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.030 3.695 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.549 3.455 -5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.487 4.136 -4.038 1.00 0.00 H new ATOM 483 N GLN A 35 -4.907 3.767 -3.072 1.00 0.00 N ATOM 484 CA GLN A 35 -4.132 4.434 -2.032 1.00 0.00 C ATOM 485 C GLN A 35 -2.662 4.036 -2.108 1.00 0.00 C ATOM 486 O GLN A 35 -2.314 2.923 -2.503 1.00 0.00 O ATOM 487 CB GLN A 35 -4.694 4.093 -0.651 1.00 0.00 C ATOM 488 CG GLN A 35 -6.045 4.731 -0.369 1.00 0.00 C ATOM 489 CD GLN A 35 -6.309 4.906 1.114 1.00 0.00 C ATOM 490 OE1 GLN A 35 -7.216 4.286 1.671 1.00 0.00 O ATOM 491 NE2 GLN A 35 -5.518 5.753 1.761 1.00 0.00 N ATOM 0 H GLN A 35 -4.682 2.780 -3.198 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.207 5.510 -2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.787 3.011 -0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.984 4.415 0.111 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.093 5.703 -0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.832 4.115 -0.804 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.779 6.245 1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.649 5.912 2.760 1.00 0.00 H new ATOM 500 N PRO A 36 -1.776 4.966 -1.722 1.00 0.00 N ATOM 501 CA PRO A 36 -0.329 4.736 -1.738 1.00 0.00 C ATOM 502 C PRO A 36 0.111 3.736 -0.674 1.00 0.00 C ATOM 503 O PRO A 36 -0.200 3.894 0.506 1.00 0.00 O ATOM 504 CB PRO A 36 0.254 6.120 -1.443 1.00 0.00 C ATOM 505 CG PRO A 36 -0.818 6.831 -0.691 1.00 0.00 C ATOM 506 CD PRO A 36 -2.120 6.315 -1.240 1.00 0.00 C ATOM 0 HA PRO A 36 0.005 4.310 -2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.169 6.047 -0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.508 6.647 -2.363 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.740 6.635 0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.738 7.910 -0.824 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.895 6.283 -0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.495 6.946 -2.046 1.00 0.00 H new ATOM 514 N TRP A 37 0.834 2.706 -1.100 1.00 0.00 N ATOM 515 CA TRP A 37 1.316 1.680 -0.182 1.00 0.00 C ATOM 516 C TRP A 37 2.796 1.395 -0.413 1.00 0.00 C ATOM 517 O TRP A 37 3.286 1.476 -1.541 1.00 0.00 O ATOM 518 CB TRP A 37 0.505 0.395 -0.350 1.00 0.00 C ATOM 519 CG TRP A 37 -0.773 0.392 0.434 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.933 1.036 0.112 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.017 -0.285 1.672 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.885 0.800 1.075 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.348 -0.008 2.042 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.242 -1.099 2.502 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -2.917 -0.517 3.206 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -0.808 -1.603 3.657 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.135 -1.311 4.001 1.00 0.00 C ATOM 0 H TRP A 37 1.099 2.559 -2.074 1.00 0.00 H new ATOM 0 HA TRP A 37 1.191 2.050 0.836 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.275 0.254 -1.406 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.115 -0.454 -0.041 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.081 1.642 -0.770 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.837 1.167 1.070 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.781 -1.330 2.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.939 -0.293 3.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.218 -2.233 4.306 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.549 -1.720 4.911 1.00 0.00 H new ATOM 538 N HIS A 38 3.505 1.061 0.660 1.00 0.00 N ATOM 539 CA HIS A 38 4.930 0.763 0.573 1.00 0.00 C ATOM 540 C HIS A 38 5.160 -0.625 -0.017 1.00 0.00 C ATOM 541 O HIS A 38 4.774 -1.633 0.575 1.00 0.00 O ATOM 542 CB HIS A 38 5.578 0.856 1.955 1.00 0.00 C ATOM 543 CG HIS A 38 6.193 2.191 2.240 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.161 2.785 3.484 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.860 3.049 1.432 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.781 3.950 3.429 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.215 4.134 2.195 1.00 0.00 N ATOM 0 H HIS A 38 3.116 0.990 1.600 1.00 0.00 H new ATOM 0 HA HIS A 38 5.390 1.500 -0.086 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.826 0.642 2.715 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.345 0.086 2.040 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.073 2.906 0.383 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.911 4.636 4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.730 4.949 1.863 1.00 0.00 H new ATOM 555 N ARG A 39 5.790 -0.669 -1.187 1.00 0.00 N ATOM 556 CA ARG A 39 6.069 -1.933 -1.857 1.00 0.00 C ATOM 557 C ARG A 39 6.334 -3.040 -0.842 1.00 0.00 C ATOM 558 O ARG A 39 5.971 -4.195 -1.060 1.00 0.00 O ATOM 559 CB ARG A 39 7.271 -1.785 -2.791 1.00 0.00 C ATOM 560 CG ARG A 39 6.937 -1.107 -4.111 1.00 0.00 C ATOM 561 CD ARG A 39 7.798 -1.642 -5.245 1.00 0.00 C ATOM 562 NE ARG A 39 8.020 -0.639 -6.283 1.00 0.00 N ATOM 563 CZ ARG A 39 8.300 -0.939 -7.546 1.00 0.00 C ATOM 564 NH1 ARG A 39 8.390 -2.206 -7.926 1.00 0.00 N ATOM 565 NH2 ARG A 39 8.489 0.030 -8.433 1.00 0.00 N ATOM 0 H ARG A 39 6.117 0.156 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 39 5.192 -2.205 -2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.046 -1.211 -2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.686 -2.772 -2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.884 -1.265 -4.346 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.085 -0.031 -4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.758 -1.971 -4.847 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.318 -2.517 -5.683 1.00 0.00 H new ATOM 0 HE ARG A 39 7.957 0.345 -6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.244 -2.954 -7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.605 -2.433 -8.897 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.419 1.006 -8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.704 -0.201 -9.403 1.00 0.00 H new ATOM 579 N GLU A 40 6.969 -2.679 0.269 1.00 0.00 N ATOM 580 CA GLU A 40 7.284 -3.642 1.317 1.00 0.00 C ATOM 581 C GLU A 40 6.073 -3.885 2.214 1.00 0.00 C ATOM 582 O GLU A 40 5.669 -5.027 2.435 1.00 0.00 O ATOM 583 CB GLU A 40 8.464 -3.149 2.156 1.00 0.00 C ATOM 584 CG GLU A 40 9.729 -2.912 1.348 1.00 0.00 C ATOM 585 CD GLU A 40 10.959 -2.763 2.221 1.00 0.00 C ATOM 586 OE1 GLU A 40 11.193 -1.646 2.730 1.00 0.00 O ATOM 587 OE2 GLU A 40 11.688 -3.761 2.396 1.00 0.00 O ATOM 0 H GLU A 40 7.275 -1.726 0.466 1.00 0.00 H new ATOM 0 HA GLU A 40 7.556 -4.584 0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.182 -2.221 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.674 -3.880 2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.876 -3.743 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.606 -2.014 0.743 1.00 0.00 H new ATOM 594 N CYS A 41 5.499 -2.802 2.728 1.00 0.00 N ATOM 595 CA CYS A 41 4.336 -2.895 3.602 1.00 0.00 C ATOM 596 C CYS A 41 3.204 -3.660 2.922 1.00 0.00 C ATOM 597 O CYS A 41 2.624 -4.579 3.502 1.00 0.00 O ATOM 598 CB CYS A 41 3.856 -1.497 3.998 1.00 0.00 C ATOM 599 SG CYS A 41 5.024 -0.582 5.055 1.00 0.00 S ATOM 0 H CYS A 41 5.821 -1.850 2.554 1.00 0.00 H new ATOM 0 HA CYS A 41 4.630 -3.439 4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.671 -0.918 3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.903 -1.586 4.520 1.00 0.00 H new ATOM 0 HG CYS A 41 4.403 0.399 5.640 1.00 0.00 H new ATOM 604 N LEU A 42 2.895 -3.274 1.689 1.00 0.00 N ATOM 605 CA LEU A 42 1.833 -3.923 0.928 1.00 0.00 C ATOM 606 C LEU A 42 1.997 -5.439 0.947 1.00 0.00 C ATOM 607 O LEU A 42 2.793 -5.998 0.191 1.00 0.00 O ATOM 608 CB LEU A 42 1.830 -3.417 -0.516 1.00 0.00 C ATOM 609 CG LEU A 42 0.727 -3.970 -1.419 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.640 -3.732 -0.797 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.803 -3.339 -2.801 1.00 0.00 C ATOM 0 H LEU A 42 3.365 -2.515 1.195 1.00 0.00 H new ATOM 0 HA LEU A 42 0.881 -3.673 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.747 -2.330 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.794 -3.656 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 42 0.874 -5.045 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.413 -4.132 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.691 -4.231 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.797 -2.662 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.011 -3.744 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.682 -2.259 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.771 -3.561 -3.249 1.00 0.00 H new ATOM 623 N VAL A 43 1.238 -6.101 1.815 1.00 0.00 N ATOM 624 CA VAL A 43 1.297 -7.553 1.931 1.00 0.00 C ATOM 625 C VAL A 43 -0.058 -8.128 2.328 1.00 0.00 C ATOM 626 O VAL A 43 -0.850 -7.471 3.003 1.00 0.00 O ATOM 627 CB VAL A 43 2.352 -7.992 2.965 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.717 -7.425 2.608 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.936 -7.563 4.364 1.00 0.00 C ATOM 0 H VAL A 43 0.575 -5.654 2.448 1.00 0.00 H new ATOM 0 HA VAL A 43 1.579 -7.937 0.951 1.00 0.00 H new ATOM 0 HB VAL A 43 2.422 -9.080 2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.449 -7.745 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.015 -7.786 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.667 -6.336 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.692 -7.881 5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.837 -6.478 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.980 -8.022 4.616 1.00 0.00 H new ATOM 639 N CYS A 44 -0.318 -9.360 1.904 1.00 0.00 N ATOM 640 CA CYS A 44 -1.577 -10.026 2.214 1.00 0.00 C ATOM 641 C CYS A 44 -1.900 -9.914 3.702 1.00 0.00 C ATOM 642 O CYS A 44 -1.008 -9.731 4.530 1.00 0.00 O ATOM 643 CB CYS A 44 -1.514 -11.499 1.805 1.00 0.00 C ATOM 644 SG CYS A 44 -3.013 -12.450 2.217 1.00 0.00 S ATOM 0 H CYS A 44 0.327 -9.918 1.344 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.368 -9.532 1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.342 -11.560 0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.657 -11.964 2.292 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.114 -13.469 1.416 1.00 0.00 H new ATOM 649 N THR A 45 -3.183 -10.024 4.033 1.00 0.00 N ATOM 650 CA THR A 45 -3.624 -9.934 5.419 1.00 0.00 C ATOM 651 C THR A 45 -3.820 -11.319 6.025 1.00 0.00 C ATOM 652 O THR A 45 -4.535 -11.480 7.013 1.00 0.00 O ATOM 653 CB THR A 45 -4.941 -9.144 5.539 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.981 -8.106 4.553 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.083 -8.537 6.927 1.00 0.00 C ATOM 0 H THR A 45 -3.934 -10.176 3.360 1.00 0.00 H new ATOM 0 HA THR A 45 -2.841 -9.408 5.966 1.00 0.00 H new ATOM 0 HB THR A 45 -5.769 -9.833 5.374 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.898 -7.234 4.992 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.020 -7.984 6.988 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.081 -9.331 7.673 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.250 -7.860 7.115 1.00 0.00 H new ATOM 663 N GLY A 46 -3.177 -12.318 5.427 1.00 0.00 N ATOM 664 CA GLY A 46 -3.293 -13.677 5.922 1.00 0.00 C ATOM 665 C GLY A 46 -1.955 -14.386 5.988 1.00 0.00 C ATOM 666 O GLY A 46 -1.587 -14.938 7.025 1.00 0.00 O ATOM 0 H GLY A 46 -2.578 -12.210 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.742 -13.662 6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.967 -14.239 5.276 1.00 0.00 H new ATOM 670 N CYS A 47 -1.226 -14.374 4.878 1.00 0.00 N ATOM 671 CA CYS A 47 0.078 -15.023 4.812 1.00 0.00 C ATOM 672 C CYS A 47 1.202 -13.990 4.841 1.00 0.00 C ATOM 673 O CYS A 47 2.375 -14.339 4.970 1.00 0.00 O ATOM 674 CB CYS A 47 0.185 -15.873 3.544 1.00 0.00 C ATOM 675 SG CYS A 47 -0.079 -14.942 2.000 1.00 0.00 S ATOM 0 H CYS A 47 -1.516 -13.922 4.011 1.00 0.00 H new ATOM 0 HA CYS A 47 0.179 -15.669 5.684 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.171 -16.336 3.512 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.545 -16.681 3.598 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.120 -14.174 2.129 1.00 0.00 H new ATOM 680 N GLN A 48 0.832 -12.719 4.720 1.00 0.00 N ATOM 681 CA GLN A 48 1.809 -11.636 4.732 1.00 0.00 C ATOM 682 C GLN A 48 2.751 -11.740 3.538 1.00 0.00 C ATOM 683 O GLN A 48 3.973 -11.706 3.692 1.00 0.00 O ATOM 684 CB GLN A 48 2.612 -11.659 6.034 1.00 0.00 C ATOM 685 CG GLN A 48 1.779 -11.348 7.268 1.00 0.00 C ATOM 686 CD GLN A 48 1.440 -9.875 7.386 1.00 0.00 C ATOM 687 OE1 GLN A 48 2.150 -9.114 8.044 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.350 -9.466 6.749 1.00 0.00 N ATOM 0 H GLN A 48 -0.135 -12.414 4.613 1.00 0.00 H new ATOM 0 HA GLN A 48 1.268 -10.692 4.664 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.069 -12.642 6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.425 -10.936 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.857 -11.928 7.235 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.323 -11.664 8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.209 -10.132 6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.071 -8.486 6.793 1.00 0.00 H new ATOM 697 N THR A 49 2.177 -11.867 2.346 1.00 0.00 N ATOM 698 CA THR A 49 2.965 -11.977 1.125 1.00 0.00 C ATOM 699 C THR A 49 2.941 -10.674 0.335 1.00 0.00 C ATOM 700 O THR A 49 1.916 -9.998 0.238 1.00 0.00 O ATOM 701 CB THR A 49 2.453 -13.119 0.226 1.00 0.00 C ATOM 702 OG1 THR A 49 3.398 -13.384 -0.816 1.00 0.00 O ATOM 703 CG2 THR A 49 1.105 -12.764 -0.383 1.00 0.00 C ATOM 0 H THR A 49 1.168 -11.896 2.200 1.00 0.00 H new ATOM 0 HA THR A 49 3.989 -12.195 1.429 1.00 0.00 H new ATOM 0 HB THR A 49 2.333 -14.011 0.841 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.128 -13.935 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.763 -13.585 -1.014 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.380 -12.592 0.413 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.204 -11.861 -0.985 1.00 0.00 H new ATOM 711 N PRO A 50 4.094 -10.311 -0.245 1.00 0.00 N ATOM 712 CA PRO A 50 4.230 -9.086 -1.038 1.00 0.00 C ATOM 713 C PRO A 50 3.477 -9.165 -2.362 1.00 0.00 C ATOM 714 O PRO A 50 3.913 -9.838 -3.297 1.00 0.00 O ATOM 715 CB PRO A 50 5.737 -8.989 -1.286 1.00 0.00 C ATOM 716 CG PRO A 50 6.228 -10.393 -1.192 1.00 0.00 C ATOM 717 CD PRO A 50 5.355 -11.068 -0.171 1.00 0.00 C ATOM 0 HA PRO A 50 3.812 -8.220 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.950 -8.560 -2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.220 -8.350 -0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.161 -10.896 -2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.275 -10.421 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.205 -12.122 -0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.793 -11.022 0.826 1.00 0.00 H new ATOM 725 N LEU A 51 2.344 -8.475 -2.435 1.00 0.00 N ATOM 726 CA LEU A 51 1.529 -8.467 -3.645 1.00 0.00 C ATOM 727 C LEU A 51 2.066 -7.460 -4.656 1.00 0.00 C ATOM 728 O LEU A 51 1.386 -7.110 -5.620 1.00 0.00 O ATOM 729 CB LEU A 51 0.075 -8.138 -3.302 1.00 0.00 C ATOM 730 CG LEU A 51 -0.522 -8.894 -2.115 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.626 -8.076 -1.463 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.051 -10.250 -2.557 1.00 0.00 C ATOM 0 H LEU A 51 1.969 -7.914 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 51 1.574 -9.461 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.003 -7.069 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.539 -8.338 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 51 0.266 -9.057 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.040 -8.630 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.217 -7.129 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.414 -7.882 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.472 -10.774 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.825 -10.110 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.236 -10.839 -2.977 1.00 0.00 H new ATOM 744 N ALA A 52 3.292 -6.998 -4.431 1.00 0.00 N ATOM 745 CA ALA A 52 3.922 -6.035 -5.324 1.00 0.00 C ATOM 746 C ALA A 52 3.749 -6.444 -6.783 1.00 0.00 C ATOM 747 O ALA A 52 4.532 -7.230 -7.315 1.00 0.00 O ATOM 748 CB ALA A 52 5.399 -5.889 -4.987 1.00 0.00 C ATOM 0 H ALA A 52 3.868 -7.276 -3.637 1.00 0.00 H new ATOM 0 HA ALA A 52 3.431 -5.072 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.857 -5.166 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.505 -5.543 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.895 -6.853 -5.098 1.00 0.00 H new ATOM 754 N GLY A 53 2.717 -5.905 -7.425 1.00 0.00 N ATOM 755 CA GLY A 53 2.459 -6.227 -8.817 1.00 0.00 C ATOM 756 C GLY A 53 1.998 -7.659 -9.005 1.00 0.00 C ATOM 757 O GLY A 53 2.349 -8.306 -9.991 1.00 0.00 O ATOM 0 H GLY A 53 2.055 -5.251 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.700 -5.550 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.365 -6.061 -9.399 1.00 0.00 H new ATOM 761 N GLN A 54 1.210 -8.155 -8.056 1.00 0.00 N ATOM 762 CA GLN A 54 0.703 -9.520 -8.121 1.00 0.00 C ATOM 763 C GLN A 54 -0.819 -9.532 -8.210 1.00 0.00 C ATOM 764 O GLN A 54 -1.483 -8.593 -7.771 1.00 0.00 O ATOM 765 CB GLN A 54 1.160 -10.316 -6.898 1.00 0.00 C ATOM 766 CG GLN A 54 0.450 -11.651 -6.739 1.00 0.00 C ATOM 767 CD GLN A 54 1.262 -12.653 -5.942 1.00 0.00 C ATOM 768 OE1 GLN A 54 2.142 -13.325 -6.481 1.00 0.00 O ATOM 769 NE2 GLN A 54 0.971 -12.758 -4.651 1.00 0.00 N ATOM 0 H GLN A 54 0.909 -7.632 -7.234 1.00 0.00 H new ATOM 0 HA GLN A 54 1.105 -9.987 -9.020 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.233 -10.491 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.994 -9.717 -6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.509 -11.492 -6.246 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.236 -12.064 -7.725 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.234 -12.181 -4.246 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.485 -13.415 -4.064 1.00 0.00 H new ATOM 778 N GLN A 55 -1.366 -10.600 -8.781 1.00 0.00 N ATOM 779 CA GLN A 55 -2.811 -10.733 -8.928 1.00 0.00 C ATOM 780 C GLN A 55 -3.465 -11.073 -7.593 1.00 0.00 C ATOM 781 O GLN A 55 -3.288 -12.171 -7.065 1.00 0.00 O ATOM 782 CB GLN A 55 -3.143 -11.810 -9.962 1.00 0.00 C ATOM 783 CG GLN A 55 -2.620 -11.499 -11.355 1.00 0.00 C ATOM 784 CD GLN A 55 -2.885 -12.619 -12.341 1.00 0.00 C ATOM 785 OE1 GLN A 55 -3.794 -13.427 -12.151 1.00 0.00 O ATOM 786 NE2 GLN A 55 -2.090 -12.673 -13.404 1.00 0.00 N ATOM 0 H GLN A 55 -0.831 -11.386 -9.150 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.205 -9.777 -9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.726 -12.761 -9.630 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.225 -11.936 -10.009 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.086 -10.583 -11.718 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.547 -11.312 -11.303 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.349 -11.983 -13.522 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.221 -13.405 -14.102 1.00 0.00 H new ATOM 795 N PHE A 56 -4.221 -10.124 -7.051 1.00 0.00 N ATOM 796 CA PHE A 56 -4.900 -10.322 -5.776 1.00 0.00 C ATOM 797 C PHE A 56 -6.204 -9.532 -5.726 1.00 0.00 C ATOM 798 O PHE A 56 -6.557 -8.832 -6.676 1.00 0.00 O ATOM 799 CB PHE A 56 -3.991 -9.903 -4.619 1.00 0.00 C ATOM 800 CG PHE A 56 -3.784 -8.418 -4.527 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.697 -7.618 -3.859 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.676 -7.823 -5.108 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.509 -6.252 -3.774 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.483 -6.457 -5.026 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.400 -5.670 -4.357 1.00 0.00 C ATOM 0 H PHE A 56 -4.379 -9.210 -7.475 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.134 -11.382 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.420 -10.261 -3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.023 -10.390 -4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.565 -8.067 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.955 -8.434 -5.631 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.229 -5.639 -3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.616 -6.005 -5.485 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.250 -4.603 -4.290 1.00 0.00 H new ATOM 815 N THR A 57 -6.917 -9.648 -4.610 1.00 0.00 N ATOM 816 CA THR A 57 -8.183 -8.946 -4.435 1.00 0.00 C ATOM 817 C THR A 57 -8.262 -8.290 -3.062 1.00 0.00 C ATOM 818 O THR A 57 -7.412 -8.522 -2.202 1.00 0.00 O ATOM 819 CB THR A 57 -9.381 -9.898 -4.607 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.606 -9.186 -4.400 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.293 -11.061 -3.629 1.00 0.00 C ATOM 0 H THR A 57 -6.639 -10.222 -3.814 1.00 0.00 H new ATOM 0 HA THR A 57 -8.227 -8.176 -5.205 1.00 0.00 H new ATOM 0 HB THR A 57 -9.359 -10.295 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.363 -9.798 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.150 -11.720 -3.769 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.374 -11.618 -3.808 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.292 -10.679 -2.608 1.00 0.00 H new ATOM 829 N SER A 58 -9.289 -7.470 -2.861 1.00 0.00 N ATOM 830 CA SER A 58 -9.478 -6.777 -1.592 1.00 0.00 C ATOM 831 C SER A 58 -10.825 -7.136 -0.972 1.00 0.00 C ATOM 832 O SER A 58 -11.842 -7.196 -1.663 1.00 0.00 O ATOM 833 CB SER A 58 -9.383 -5.264 -1.794 1.00 0.00 C ATOM 834 OG SER A 58 -10.308 -4.821 -2.772 1.00 0.00 O ATOM 0 H SER A 58 -10.003 -7.269 -3.561 1.00 0.00 H new ATOM 0 HA SER A 58 -8.689 -7.095 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.576 -4.755 -0.850 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.371 -4.997 -2.099 1.00 0.00 H new ATOM 0 HG SER A 58 -10.229 -3.850 -2.881 1.00 0.00 H new ATOM 840 N ARG A 59 -10.823 -7.373 0.335 1.00 0.00 N ATOM 841 CA ARG A 59 -12.044 -7.728 1.049 1.00 0.00 C ATOM 842 C ARG A 59 -12.091 -7.050 2.416 1.00 0.00 C ATOM 843 O ARG A 59 -11.134 -7.119 3.187 1.00 0.00 O ATOM 844 CB ARG A 59 -12.140 -9.245 1.217 1.00 0.00 C ATOM 845 CG ARG A 59 -13.506 -9.721 1.682 1.00 0.00 C ATOM 846 CD ARG A 59 -14.480 -9.841 0.520 1.00 0.00 C ATOM 847 NE ARG A 59 -14.869 -8.534 -0.005 1.00 0.00 N ATOM 848 CZ ARG A 59 -15.356 -8.349 -1.227 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.513 -9.380 -2.045 1.00 0.00 N ATOM 850 NH2 ARG A 59 -15.687 -7.129 -1.632 1.00 0.00 N ATOM 0 H ARG A 59 -9.990 -7.326 0.922 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.893 -7.380 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.902 -9.723 0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.387 -9.571 1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.407 -10.687 2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.903 -9.025 2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.024 -10.430 -0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.369 -10.380 0.847 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.761 -7.720 0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.260 -10.319 -1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.887 -9.235 -2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.567 -6.333 -1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.061 -6.987 -2.570 1.00 0.00 H new ATOM 864 N ASP A 60 -13.209 -6.395 2.707 1.00 0.00 N ATOM 865 CA ASP A 60 -13.382 -5.705 3.980 1.00 0.00 C ATOM 866 C ASP A 60 -12.200 -4.782 4.262 1.00 0.00 C ATOM 867 O ASP A 60 -11.733 -4.686 5.396 1.00 0.00 O ATOM 868 CB ASP A 60 -13.537 -6.717 5.116 1.00 0.00 C ATOM 869 CG ASP A 60 -14.807 -7.535 4.994 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.339 -7.639 3.869 1.00 0.00 O ATOM 871 OD2 ASP A 60 -15.270 -8.071 6.023 1.00 0.00 O ATOM 0 H ASP A 60 -14.010 -6.327 2.079 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.286 -5.100 3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.677 -7.386 5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.538 -6.190 6.070 1.00 0.00 H new ATOM 876 N GLU A 61 -11.723 -4.106 3.222 1.00 0.00 N ATOM 877 CA GLU A 61 -10.594 -3.192 3.359 1.00 0.00 C ATOM 878 C GLU A 61 -9.340 -3.939 3.803 1.00 0.00 C ATOM 879 O GLU A 61 -8.648 -3.516 4.730 1.00 0.00 O ATOM 880 CB GLU A 61 -10.924 -2.085 4.363 1.00 0.00 C ATOM 881 CG GLU A 61 -12.221 -1.354 4.058 1.00 0.00 C ATOM 882 CD GLU A 61 -12.225 0.069 4.580 1.00 0.00 C ATOM 883 OE1 GLU A 61 -12.408 0.253 5.802 1.00 0.00 O ATOM 884 OE2 GLU A 61 -12.045 0.999 3.767 1.00 0.00 O ATOM 0 H GLU A 61 -12.100 -4.173 2.276 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.403 -2.743 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.987 -2.518 5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.106 -1.365 4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.382 -1.342 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.054 -1.901 4.499 1.00 0.00 H new ATOM 891 N ASP A 62 -9.054 -5.052 3.136 1.00 0.00 N ATOM 892 CA ASP A 62 -7.884 -5.859 3.461 1.00 0.00 C ATOM 893 C ASP A 62 -7.388 -6.616 2.234 1.00 0.00 C ATOM 894 O ASP A 62 -8.111 -7.410 1.630 1.00 0.00 O ATOM 895 CB ASP A 62 -8.212 -6.842 4.585 1.00 0.00 C ATOM 896 CG ASP A 62 -8.334 -6.161 5.934 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.421 -5.387 6.293 1.00 0.00 O ATOM 898 OD2 ASP A 62 -9.342 -6.400 6.630 1.00 0.00 O ATOM 0 H ASP A 62 -9.617 -5.416 2.367 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.093 -5.188 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.146 -7.354 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.434 -7.604 4.635 1.00 0.00 H new ATOM 903 N PRO A 63 -6.126 -6.368 1.853 1.00 0.00 N ATOM 904 CA PRO A 63 -5.507 -7.016 0.694 1.00 0.00 C ATOM 905 C PRO A 63 -5.246 -8.500 0.930 1.00 0.00 C ATOM 906 O PRO A 63 -4.442 -8.871 1.785 1.00 0.00 O ATOM 907 CB PRO A 63 -4.185 -6.261 0.530 1.00 0.00 C ATOM 908 CG PRO A 63 -3.879 -5.734 1.889 1.00 0.00 C ATOM 909 CD PRO A 63 -5.207 -5.434 2.526 1.00 0.00 C ATOM 0 HA PRO A 63 -6.149 -6.977 -0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.394 -6.921 0.174 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.278 -5.453 -0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.322 -6.465 2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.263 -4.837 1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.183 -5.600 3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.503 -4.397 2.370 1.00 0.00 H new ATOM 917 N TYR A 64 -5.931 -9.344 0.167 1.00 0.00 N ATOM 918 CA TYR A 64 -5.775 -10.789 0.295 1.00 0.00 C ATOM 919 C TYR A 64 -5.327 -11.407 -1.026 1.00 0.00 C ATOM 920 O TYR A 64 -5.870 -11.097 -2.087 1.00 0.00 O ATOM 921 CB TYR A 64 -7.089 -11.426 0.749 1.00 0.00 C ATOM 922 CG TYR A 64 -7.372 -11.245 2.224 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.744 -12.041 3.174 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.266 -10.278 2.666 1.00 0.00 C ATOM 925 CE1 TYR A 64 -7.000 -11.879 4.522 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.527 -10.109 4.012 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.892 -10.912 4.936 1.00 0.00 C ATOM 928 OH TYR A 64 -8.148 -10.747 6.278 1.00 0.00 O ATOM 0 H TYR A 64 -6.599 -9.053 -0.546 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.007 -10.982 1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.909 -10.995 0.175 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.065 -12.491 0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.044 -12.799 2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.765 -9.648 1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.504 -12.506 5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.225 -9.352 4.339 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.798 -10.024 6.401 1.00 0.00 H new ATOM 938 N CYS A 65 -4.331 -12.285 -0.953 1.00 0.00 N ATOM 939 CA CYS A 65 -3.808 -12.949 -2.140 1.00 0.00 C ATOM 940 C CYS A 65 -4.769 -14.030 -2.627 1.00 0.00 C ATOM 941 O CYS A 65 -5.402 -14.719 -1.828 1.00 0.00 O ATOM 942 CB CYS A 65 -2.439 -13.564 -1.845 1.00 0.00 C ATOM 943 SG CYS A 65 -2.498 -15.023 -0.756 1.00 0.00 S ATOM 0 H CYS A 65 -3.870 -12.553 -0.083 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.701 -12.201 -2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.969 -13.846 -2.787 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.804 -12.807 -1.386 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.607 -14.900 0.183 1.00 0.00 H new ATOM 948 N VAL A 66 -4.872 -14.172 -3.945 1.00 0.00 N ATOM 949 CA VAL A 66 -5.754 -15.170 -4.539 1.00 0.00 C ATOM 950 C VAL A 66 -5.697 -16.483 -3.767 1.00 0.00 C ATOM 951 O VAL A 66 -6.699 -17.187 -3.645 1.00 0.00 O ATOM 952 CB VAL A 66 -5.388 -15.436 -6.011 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.311 -16.486 -6.610 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.443 -14.146 -6.816 1.00 0.00 C ATOM 0 H VAL A 66 -4.356 -13.609 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.766 -14.768 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.368 -15.818 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.037 -16.660 -7.650 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.217 -17.416 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.342 -16.135 -6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.181 -14.353 -7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.450 -13.732 -6.771 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.737 -13.427 -6.400 1.00 0.00 H new ATOM 964 N ALA A 67 -4.518 -16.807 -3.247 1.00 0.00 N ATOM 965 CA ALA A 67 -4.331 -18.035 -2.484 1.00 0.00 C ATOM 966 C ALA A 67 -5.173 -18.025 -1.213 1.00 0.00 C ATOM 967 O ALA A 67 -5.781 -19.032 -0.851 1.00 0.00 O ATOM 968 CB ALA A 67 -2.860 -18.226 -2.144 1.00 0.00 C ATOM 0 H ALA A 67 -3.678 -16.236 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.662 -18.871 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.735 -19.147 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.279 -18.287 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.511 -17.381 -1.550 1.00 0.00 H new ATOM 974 N CYS A 68 -5.202 -16.881 -0.538 1.00 0.00 N ATOM 975 CA CYS A 68 -5.968 -16.739 0.695 1.00 0.00 C ATOM 976 C CYS A 68 -7.443 -16.487 0.393 1.00 0.00 C ATOM 977 O CYS A 68 -8.326 -17.043 1.046 1.00 0.00 O ATOM 978 CB CYS A 68 -5.406 -15.595 1.541 1.00 0.00 C ATOM 979 SG CYS A 68 -3.907 -16.031 2.479 1.00 0.00 S ATOM 0 H CYS A 68 -4.704 -16.038 -0.824 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.884 -17.670 1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.181 -14.751 0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.174 -15.262 2.239 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.224 -14.954 2.731 1.00 0.00 H new ATOM 984 N PHE A 69 -7.701 -15.644 -0.602 1.00 0.00 N ATOM 985 CA PHE A 69 -9.068 -15.317 -0.991 1.00 0.00 C ATOM 986 C PHE A 69 -9.919 -16.579 -1.102 1.00 0.00 C ATOM 987 O PHE A 69 -11.088 -16.588 -0.718 1.00 0.00 O ATOM 988 CB PHE A 69 -9.075 -14.564 -2.323 1.00 0.00 C ATOM 989 CG PHE A 69 -10.455 -14.256 -2.830 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.190 -13.214 -2.289 1.00 0.00 C ATOM 991 CD2 PHE A 69 -11.018 -15.010 -3.847 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.460 -12.928 -2.753 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.287 -14.729 -4.316 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.010 -13.687 -3.768 1.00 0.00 C ATOM 0 H PHE A 69 -6.982 -15.175 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.496 -14.679 -0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.523 -13.632 -2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.546 -15.157 -3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.765 -12.618 -1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.458 -15.827 -4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.022 -12.112 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.713 -15.324 -5.110 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.003 -13.466 -4.132 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.323 -17.643 -1.631 1.00 0.00 N ATOM 1005 CA GLY A 70 -10.040 -18.895 -1.785 1.00 0.00 C ATOM 1006 C GLY A 70 -9.871 -19.810 -0.588 1.00 0.00 C ATOM 1007 O GLY A 70 -9.988 -21.029 -0.710 1.00 0.00 O ATOM 0 H GLY A 70 -8.356 -17.660 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.100 -18.688 -1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.687 -19.405 -2.681 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.594 -19.221 0.571 1.00 0.00 N ATOM 1012 CA GLU A 71 -9.407 -19.993 1.794 1.00 0.00 C ATOM 1013 C GLU A 71 -10.182 -19.373 2.953 1.00 0.00 C ATOM 1014 O GLU A 71 -10.852 -20.074 3.713 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.921 -20.078 2.147 1.00 0.00 C ATOM 1016 CG GLU A 71 -7.139 -21.037 1.266 1.00 0.00 C ATOM 1017 CD GLU A 71 -6.002 -21.714 2.005 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -5.375 -21.054 2.860 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -5.738 -22.903 1.729 1.00 0.00 O ATOM 0 H GLU A 71 -9.494 -18.213 0.689 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.790 -20.999 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.480 -19.084 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.821 -20.389 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.815 -21.797 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.738 -20.493 0.410 1.00 0.00 H new ATOM 1026 N LEU A 72 -10.085 -18.054 3.083 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.776 -17.338 4.149 1.00 0.00 C ATOM 1028 C LEU A 72 -12.253 -17.153 3.814 1.00 0.00 C ATOM 1029 O LEU A 72 -13.129 -17.594 4.558 1.00 0.00 O ATOM 1030 CB LEU A 72 -10.121 -15.976 4.383 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.659 -16.002 4.833 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.753 -16.402 3.679 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.248 -14.648 5.391 1.00 0.00 C ATOM 0 H LEU A 72 -9.535 -17.459 2.463 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.701 -17.933 5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.186 -15.401 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.702 -15.440 5.134 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.556 -16.745 5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.717 -16.415 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.032 -17.394 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.860 -15.683 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.205 -14.686 5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.367 -13.886 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.877 -14.401 6.246 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.521 -16.501 2.687 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.892 -16.259 2.252 1.00 0.00 C ATOM 1047 C PHE A 73 -14.461 -17.485 1.542 1.00 0.00 C ATOM 1048 O PHE A 73 -15.625 -17.838 1.729 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.947 -15.046 1.322 1.00 0.00 C ATOM 1050 CG PHE A 73 -12.976 -13.962 1.692 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.029 -13.363 2.940 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -12.010 -13.542 0.792 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.137 -12.364 3.284 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.115 -12.544 1.130 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.178 -11.955 2.378 1.00 0.00 C ATOM 0 H PHE A 73 -11.807 -16.131 2.059 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.498 -16.058 3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.744 -15.371 0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.957 -14.637 1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -13.776 -13.680 3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.956 -13.999 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.190 -11.904 4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.367 -12.225 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.479 -11.176 2.645 1.00 0.00 H new