USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 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 149:sc= 1.43 USER MOD Set 1.2: A 47 CYS SG : rot -46:sc= 0.424 USER MOD Set 1.3: A 65 CYS SG : rot -133:sc= -1.92! USER MOD Set 1.4: A 68 CYS SG : rot 157:sc= 1.2 USER MOD Set 2.1: A 32 TYR OH : rot -170:sc= -0.798 USER MOD Set 2.2: A 58 SER OG : rot -104:sc= 0.429! USER MOD Set 3.1: A 18 CYS SG : rot 20:sc= -1.34 USER MOD Set 3.2: A 21 CYS SG : rot 180:sc= 0.00619 USER MOD Set 3.3: A 38 HIS : no HD1:sc= -5.69! C(o=-7.6!,f=-11!) USER MOD Set 3.4: A 41 CYS SG : rot 162:sc= -0.575 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 1:sc= 0.262! USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -140:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.575 K(o=0.58,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.999 USER MOD Single : A 54 GLN : amide:sc= -0.024 X(o=-0.024,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.42) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 3.865 11.493 -2.562 1.00 0.00 N ATOM 194 CA PRO A 16 2.955 10.571 -1.874 1.00 0.00 C ATOM 195 C PRO A 16 3.595 9.931 -0.648 1.00 0.00 C ATOM 196 O PRO A 16 4.820 9.861 -0.540 1.00 0.00 O ATOM 197 CB PRO A 16 2.655 9.510 -2.936 1.00 0.00 C ATOM 198 CG PRO A 16 3.834 9.542 -3.847 1.00 0.00 C ATOM 199 CD PRO A 16 4.303 10.971 -3.867 1.00 0.00 C ATOM 0 HA PRO A 16 2.068 11.080 -1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.528 8.525 -2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.734 9.736 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.621 8.878 -3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.563 9.206 -4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.385 11.037 -3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.859 11.528 -4.692 1.00 0.00 H new ATOM 207 N ARG A 17 2.760 9.465 0.275 1.00 0.00 N ATOM 208 CA ARG A 17 3.246 8.831 1.495 1.00 0.00 C ATOM 209 C ARG A 17 2.475 7.546 1.784 1.00 0.00 C ATOM 210 O ARG A 17 1.261 7.480 1.587 1.00 0.00 O ATOM 211 CB ARG A 17 3.120 9.791 2.679 1.00 0.00 C ATOM 212 CG ARG A 17 3.867 11.100 2.484 1.00 0.00 C ATOM 213 CD ARG A 17 3.961 11.887 3.782 1.00 0.00 C ATOM 214 NE ARG A 17 4.430 13.253 3.562 1.00 0.00 N ATOM 215 CZ ARG A 17 4.566 14.148 4.533 1.00 0.00 C ATOM 216 NH1 ARG A 17 4.272 13.824 5.785 1.00 0.00 N ATOM 217 NH2 ARG A 17 4.998 15.371 4.253 1.00 0.00 N ATOM 0 H ARG A 17 1.744 9.514 0.201 1.00 0.00 H new ATOM 0 HA ARG A 17 4.297 8.579 1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.065 10.006 2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.495 9.299 3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.869 10.896 2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.360 11.701 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.983 11.913 4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.639 11.377 4.467 1.00 0.00 H new ATOM 0 HE ARG A 17 4.666 13.534 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.940 12.885 6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.378 14.514 6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.226 15.624 3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.102 16.058 4.999 1.00 0.00 H new ATOM 231 N CYS A 18 3.188 6.527 2.252 1.00 0.00 N ATOM 232 CA CYS A 18 2.573 5.244 2.567 1.00 0.00 C ATOM 233 C CYS A 18 1.276 5.439 3.347 1.00 0.00 C ATOM 234 O CYS A 18 1.258 6.095 4.388 1.00 0.00 O ATOM 235 CB CYS A 18 3.540 4.376 3.374 1.00 0.00 C ATOM 236 SG CYS A 18 2.907 2.709 3.749 1.00 0.00 S ATOM 0 H CYS A 18 4.193 6.565 2.421 1.00 0.00 H new ATOM 0 HA CYS A 18 2.340 4.741 1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.475 4.282 2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.773 4.884 4.310 1.00 0.00 H new ATOM 0 HG CYS A 18 1.946 2.414 2.924 1.00 0.00 H new ATOM 241 N ALA A 19 0.192 4.865 2.835 1.00 0.00 N ATOM 242 CA ALA A 19 -1.109 4.974 3.484 1.00 0.00 C ATOM 243 C ALA A 19 -1.075 4.376 4.886 1.00 0.00 C ATOM 244 O ALA A 19 -1.948 4.649 5.710 1.00 0.00 O ATOM 245 CB ALA A 19 -2.177 4.292 2.643 1.00 0.00 C ATOM 0 H ALA A 19 0.189 4.320 1.973 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.355 6.032 3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.143 4.381 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.227 4.767 1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.927 3.238 2.522 1.00 0.00 H new ATOM 251 N ARG A 20 -0.061 3.558 5.151 1.00 0.00 N ATOM 252 CA ARG A 20 0.085 2.919 6.453 1.00 0.00 C ATOM 253 C ARG A 20 0.932 3.778 7.388 1.00 0.00 C ATOM 254 O ARG A 20 0.456 4.238 8.427 1.00 0.00 O ATOM 255 CB ARG A 20 0.721 1.536 6.298 1.00 0.00 C ATOM 256 CG ARG A 20 1.102 0.890 7.620 1.00 0.00 C ATOM 257 CD ARG A 20 -0.125 0.583 8.465 1.00 0.00 C ATOM 258 NE ARG A 20 0.140 -0.453 9.459 1.00 0.00 N ATOM 259 CZ ARG A 20 -0.531 -0.566 10.600 1.00 0.00 C ATOM 260 NH1 ARG A 20 -1.502 0.289 10.888 1.00 0.00 N ATOM 261 NH2 ARG A 20 -0.232 -1.536 11.454 1.00 0.00 N ATOM 0 H ARG A 20 0.671 3.322 4.481 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.908 2.808 6.889 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.026 0.883 5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.612 1.622 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.654 -0.031 7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.768 1.553 8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.455 1.492 8.968 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.941 0.263 7.817 1.00 0.00 H new ATOM 0 HE ARG A 20 0.881 -1.127 9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.735 1.035 10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.016 0.201 11.765 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.514 -2.196 11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.748 -1.622 12.330 1.00 0.00 H new ATOM 275 N CYS A 21 2.188 3.990 7.012 1.00 0.00 N ATOM 276 CA CYS A 21 3.102 4.793 7.816 1.00 0.00 C ATOM 277 C CYS A 21 2.951 6.277 7.493 1.00 0.00 C ATOM 278 O CYS A 21 2.982 7.123 8.386 1.00 0.00 O ATOM 279 CB CYS A 21 4.547 4.352 7.576 1.00 0.00 C ATOM 280 SG CYS A 21 4.744 2.561 7.308 1.00 0.00 S ATOM 0 H CYS A 21 2.597 3.617 6.155 1.00 0.00 H new ATOM 0 HA CYS A 21 2.852 4.641 8.866 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.938 4.883 6.708 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.153 4.649 8.432 1.00 0.00 H new ATOM 0 HG CYS A 21 6.000 2.287 7.112 1.00 0.00 H new ATOM 285 N SER A 22 2.787 6.584 6.210 1.00 0.00 N ATOM 286 CA SER A 22 2.635 7.965 5.768 1.00 0.00 C ATOM 287 C SER A 22 3.940 8.736 5.935 1.00 0.00 C ATOM 288 O SER A 22 3.963 9.826 6.508 1.00 0.00 O ATOM 289 CB SER A 22 1.518 8.654 6.555 1.00 0.00 C ATOM 290 OG SER A 22 0.953 9.720 5.812 1.00 0.00 O ATOM 0 H SER A 22 2.756 5.895 5.459 1.00 0.00 H new ATOM 0 HA SER A 22 2.372 7.955 4.710 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.743 7.929 6.803 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.913 9.033 7.497 1.00 0.00 H new ATOM 0 HG SER A 22 0.241 10.143 6.336 1.00 0.00 H new ATOM 296 N LYS A 23 5.028 8.162 5.431 1.00 0.00 N ATOM 297 CA LYS A 23 6.339 8.794 5.522 1.00 0.00 C ATOM 298 C LYS A 23 6.705 9.478 4.208 1.00 0.00 C ATOM 299 O LYS A 23 6.714 10.706 4.117 1.00 0.00 O ATOM 300 CB LYS A 23 7.404 7.756 5.883 1.00 0.00 C ATOM 301 CG LYS A 23 7.195 7.119 7.246 1.00 0.00 C ATOM 302 CD LYS A 23 8.495 6.568 7.809 1.00 0.00 C ATOM 303 CE LYS A 23 8.946 5.326 7.055 1.00 0.00 C ATOM 304 NZ LYS A 23 10.310 4.893 7.465 1.00 0.00 N ATOM 0 H LYS A 23 5.027 7.260 4.955 1.00 0.00 H new ATOM 0 HA LYS A 23 6.297 9.550 6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.410 6.975 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.385 8.231 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.783 7.857 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.463 6.315 7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.271 7.332 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.363 6.327 8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.239 4.516 7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.936 5.528 5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.581 4.044 6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.989 5.656 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.314 4.676 8.482 1.00 0.00 H new ATOM 318 N THR A 24 7.006 8.675 3.192 1.00 0.00 N ATOM 319 CA THR A 24 7.372 9.203 1.884 1.00 0.00 C ATOM 320 C THR A 24 7.422 8.095 0.838 1.00 0.00 C ATOM 321 O THR A 24 7.566 6.918 1.172 1.00 0.00 O ATOM 322 CB THR A 24 8.739 9.913 1.928 1.00 0.00 C ATOM 323 OG1 THR A 24 9.631 9.207 2.796 1.00 0.00 O ATOM 324 CG2 THR A 24 8.587 11.349 2.407 1.00 0.00 C ATOM 0 H THR A 24 7.003 7.657 3.250 1.00 0.00 H new ATOM 0 HA THR A 24 6.604 9.925 1.608 1.00 0.00 H new ATOM 0 HB THR A 24 9.150 9.925 0.919 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.498 9.664 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.565 11.830 2.430 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.931 11.892 1.727 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.156 11.355 3.408 1.00 0.00 H new ATOM 332 N LEU A 25 7.301 8.478 -0.428 1.00 0.00 N ATOM 333 CA LEU A 25 7.333 7.516 -1.525 1.00 0.00 C ATOM 334 C LEU A 25 7.944 8.137 -2.777 1.00 0.00 C ATOM 335 O LEU A 25 7.399 9.086 -3.342 1.00 0.00 O ATOM 336 CB LEU A 25 5.921 7.012 -1.828 1.00 0.00 C ATOM 337 CG LEU A 25 5.342 6.002 -0.838 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.832 6.160 -0.735 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.704 4.583 -1.250 1.00 0.00 C ATOM 0 H LEU A 25 7.180 9.448 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 25 7.955 6.674 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.252 7.871 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.924 6.558 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 25 5.775 6.196 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.438 5.432 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.594 7.167 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.381 5.994 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.283 3.878 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.300 4.378 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.788 4.476 -1.271 1.00 0.00 H new ATOM 396 N VAL A 30 4.039 1.637 -4.764 1.00 0.00 N ATOM 397 CA VAL A 30 2.804 1.130 -5.351 1.00 0.00 C ATOM 398 C VAL A 30 1.588 1.851 -4.782 1.00 0.00 C ATOM 399 O VAL A 30 1.710 2.686 -3.885 1.00 0.00 O ATOM 400 CB VAL A 30 2.649 -0.383 -5.111 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.672 -1.161 -5.925 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.779 -0.704 -3.630 1.00 0.00 C ATOM 0 HA VAL A 30 2.864 1.316 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 30 1.654 -0.684 -5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.547 -2.228 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.526 -0.955 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.677 -0.858 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.667 -1.778 -3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.760 -0.388 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.004 -0.177 -3.074 1.00 0.00 H new ATOM 412 N THR A 31 0.412 1.523 -5.308 1.00 0.00 N ATOM 413 CA THR A 31 -0.828 2.140 -4.853 1.00 0.00 C ATOM 414 C THR A 31 -1.938 1.105 -4.714 1.00 0.00 C ATOM 415 O THR A 31 -2.238 0.372 -5.657 1.00 0.00 O ATOM 416 CB THR A 31 -1.292 3.247 -5.818 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.410 3.946 -5.260 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.675 2.663 -7.169 1.00 0.00 C ATOM 0 H THR A 31 0.292 0.833 -6.050 1.00 0.00 H new ATOM 0 HA THR A 31 -0.622 2.581 -3.878 1.00 0.00 H new ATOM 0 HB THR A 31 -0.465 3.942 -5.963 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.623 3.572 -4.380 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.999 3.464 -7.833 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.813 2.157 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.488 1.948 -7.039 1.00 0.00 H new ATOM 426 N TYR A 32 -2.545 1.050 -3.534 1.00 0.00 N ATOM 427 CA TYR A 32 -3.622 0.102 -3.272 1.00 0.00 C ATOM 428 C TYR A 32 -4.911 0.831 -2.905 1.00 0.00 C ATOM 429 O TYR A 32 -4.953 1.593 -1.939 1.00 0.00 O ATOM 430 CB TYR A 32 -3.225 -0.854 -2.146 1.00 0.00 C ATOM 431 CG TYR A 32 -4.380 -1.667 -1.606 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.030 -2.602 -2.403 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.823 -1.499 -0.300 1.00 0.00 C ATOM 434 CE1 TYR A 32 -6.086 -3.346 -1.915 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.878 -2.240 0.197 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.506 -3.162 -0.614 1.00 0.00 C ATOM 437 OH TYR A 32 -7.558 -3.900 -0.123 1.00 0.00 O ATOM 0 H TYR A 32 -2.310 1.650 -2.744 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.797 -0.472 -4.182 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.454 -1.532 -2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.784 -0.279 -1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.703 -2.749 -3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.334 -0.777 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.580 -4.068 -2.548 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.209 -2.098 1.215 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.830 -3.543 0.748 1.00 0.00 H new ATOM 447 N ARG A 33 -5.961 0.590 -3.683 1.00 0.00 N ATOM 448 CA ARG A 33 -7.252 1.222 -3.441 1.00 0.00 C ATOM 449 C ARG A 33 -7.162 2.733 -3.634 1.00 0.00 C ATOM 450 O ARG A 33 -7.587 3.505 -2.774 1.00 0.00 O ATOM 451 CB ARG A 33 -7.742 0.906 -2.027 1.00 0.00 C ATOM 452 CG ARG A 33 -7.795 -0.581 -1.719 1.00 0.00 C ATOM 453 CD ARG A 33 -8.625 -0.864 -0.476 1.00 0.00 C ATOM 454 NE ARG A 33 -8.107 -0.166 0.698 1.00 0.00 N ATOM 455 CZ ARG A 33 -8.630 0.957 1.176 1.00 0.00 C ATOM 456 NH1 ARG A 33 -9.681 1.508 0.583 1.00 0.00 N ATOM 457 NH2 ARG A 33 -8.103 1.532 2.249 1.00 0.00 N ATOM 0 H ARG A 33 -5.943 -0.038 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.965 0.822 -4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.086 1.394 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.736 1.332 -1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.218 -1.115 -2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.783 -0.960 -1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.657 -0.561 -0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.637 -1.937 -0.284 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.299 -0.563 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.089 1.069 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.081 2.371 0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.295 1.112 2.708 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.506 2.395 2.615 1.00 0.00 H new ATOM 471 N ASP A 34 -6.605 3.148 -4.766 1.00 0.00 N ATOM 472 CA ASP A 34 -6.459 4.566 -5.072 1.00 0.00 C ATOM 473 C ASP A 34 -5.685 5.283 -3.970 1.00 0.00 C ATOM 474 O ASP A 34 -5.950 6.447 -3.670 1.00 0.00 O ATOM 475 CB ASP A 34 -7.832 5.214 -5.253 1.00 0.00 C ATOM 476 CG ASP A 34 -8.413 4.965 -6.631 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.628 4.869 -7.598 1.00 0.00 O ATOM 478 OD2 ASP A 34 -9.653 4.864 -6.743 1.00 0.00 O ATOM 0 H ASP A 34 -6.247 2.522 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.898 4.656 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.516 4.826 -4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.749 6.288 -5.086 1.00 0.00 H new ATOM 483 N GLN A 35 -4.730 4.580 -3.371 1.00 0.00 N ATOM 484 CA GLN A 35 -3.919 5.149 -2.301 1.00 0.00 C ATOM 485 C GLN A 35 -2.493 4.612 -2.353 1.00 0.00 C ATOM 486 O GLN A 35 -2.254 3.447 -2.674 1.00 0.00 O ATOM 487 CB GLN A 35 -4.544 4.840 -0.940 1.00 0.00 C ATOM 488 CG GLN A 35 -5.853 5.572 -0.690 1.00 0.00 C ATOM 489 CD GLN A 35 -6.145 5.759 0.785 1.00 0.00 C ATOM 490 OE1 GLN A 35 -7.061 5.143 1.332 1.00 0.00 O ATOM 491 NE2 GLN A 35 -5.366 6.612 1.440 1.00 0.00 N ATOM 0 H GLN A 35 -4.499 3.615 -3.608 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.885 6.229 -2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.718 3.767 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.835 5.104 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.818 6.547 -1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.670 5.016 -1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.618 7.101 0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.515 6.778 2.435 1.00 0.00 H new ATOM 500 N PRO A 36 -1.521 5.478 -2.031 1.00 0.00 N ATOM 501 CA PRO A 36 -0.102 5.113 -2.033 1.00 0.00 C ATOM 502 C PRO A 36 0.250 4.147 -0.906 1.00 0.00 C ATOM 503 O PRO A 36 -0.080 4.388 0.255 1.00 0.00 O ATOM 504 CB PRO A 36 0.610 6.453 -1.831 1.00 0.00 C ATOM 505 CG PRO A 36 -0.386 7.308 -1.126 1.00 0.00 C ATOM 506 CD PRO A 36 -1.734 6.881 -1.638 1.00 0.00 C ATOM 0 HA PRO A 36 0.184 4.597 -2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.518 6.334 -1.240 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.905 6.892 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.319 7.176 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.208 8.364 -1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.502 6.971 -0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.055 7.491 -2.483 1.00 0.00 H new ATOM 514 N TRP A 37 0.922 3.056 -1.257 1.00 0.00 N ATOM 515 CA TRP A 37 1.319 2.055 -0.273 1.00 0.00 C ATOM 516 C TRP A 37 2.785 1.674 -0.446 1.00 0.00 C ATOM 517 O TRP A 37 3.315 1.694 -1.558 1.00 0.00 O ATOM 518 CB TRP A 37 0.438 0.811 -0.398 1.00 0.00 C ATOM 519 CG TRP A 37 -0.854 0.921 0.354 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.922 1.712 0.038 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.214 0.217 1.548 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.923 1.542 0.964 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.513 0.630 1.900 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.565 -0.723 2.353 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.173 0.135 3.022 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.221 -1.213 3.466 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.514 -0.784 3.792 1.00 0.00 C ATOM 0 H TRP A 37 1.203 2.842 -2.214 1.00 0.00 H new ATOM 0 HA TRP A 37 1.190 2.485 0.720 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.223 0.631 -1.451 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.990 -0.055 -0.033 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.972 2.374 -0.814 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.825 2.018 0.956 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.432 -1.060 2.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.170 0.465 3.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.728 -1.939 4.095 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.000 -1.187 4.668 1.00 0.00 H new ATOM 538 N HIS A 38 3.436 1.327 0.660 1.00 0.00 N ATOM 539 CA HIS A 38 4.842 0.940 0.629 1.00 0.00 C ATOM 540 C HIS A 38 5.005 -0.473 0.078 1.00 0.00 C ATOM 541 O HIS A 38 4.473 -1.432 0.636 1.00 0.00 O ATOM 542 CB HIS A 38 5.447 1.026 2.031 1.00 0.00 C ATOM 543 CG HIS A 38 6.052 2.360 2.342 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.123 2.876 3.619 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.619 3.286 1.532 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.705 4.061 3.581 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.016 4.333 2.327 1.00 0.00 N ATOM 0 H HIS A 38 3.013 1.306 1.588 1.00 0.00 H new ATOM 0 HA HIS A 38 5.369 1.631 -0.030 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.672 0.808 2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.212 0.256 2.136 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.737 3.214 0.461 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.894 4.699 4.431 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.476 5.183 2.002 1.00 0.00 H new ATOM 555 N ARG A 39 5.743 -0.592 -1.021 1.00 0.00 N ATOM 556 CA ARG A 39 5.975 -1.888 -1.649 1.00 0.00 C ATOM 557 C ARG A 39 6.169 -2.975 -0.596 1.00 0.00 C ATOM 558 O ARG A 39 5.691 -4.098 -0.755 1.00 0.00 O ATOM 559 CB ARG A 39 7.199 -1.823 -2.564 1.00 0.00 C ATOM 560 CG ARG A 39 6.890 -1.304 -3.959 1.00 0.00 C ATOM 561 CD ARG A 39 6.532 -2.436 -4.908 1.00 0.00 C ATOM 562 NE ARG A 39 7.621 -3.399 -5.048 1.00 0.00 N ATOM 563 CZ ARG A 39 8.638 -3.240 -5.888 1.00 0.00 C ATOM 564 NH1 ARG A 39 8.704 -2.163 -6.659 1.00 0.00 N ATOM 565 NH2 ARG A 39 9.591 -4.161 -5.959 1.00 0.00 N ATOM 0 H ARG A 39 6.190 0.193 -1.495 1.00 0.00 H new ATOM 0 HA ARG A 39 5.098 -2.138 -2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.951 -1.181 -2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.635 -2.819 -2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.064 -0.594 -3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.753 -0.762 -4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.641 -2.947 -4.543 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.285 -2.024 -5.886 1.00 0.00 H new ATOM 0 HE ARG A 39 7.600 -4.239 -4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.973 -1.454 -6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.486 -2.044 -7.303 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.543 -4.991 -5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.372 -4.039 -6.604 1.00 0.00 H new ATOM 579 N GLU A 40 6.875 -2.633 0.477 1.00 0.00 N ATOM 580 CA GLU A 40 7.134 -3.581 1.554 1.00 0.00 C ATOM 581 C GLU A 40 5.888 -3.784 2.411 1.00 0.00 C ATOM 582 O GLU A 40 5.527 -4.913 2.746 1.00 0.00 O ATOM 583 CB GLU A 40 8.293 -3.093 2.426 1.00 0.00 C ATOM 584 CG GLU A 40 8.063 -1.717 3.029 1.00 0.00 C ATOM 585 CD GLU A 40 9.153 -1.318 4.005 1.00 0.00 C ATOM 586 OE1 GLU A 40 9.090 -1.755 5.173 1.00 0.00 O ATOM 587 OE2 GLU A 40 10.067 -0.570 3.601 1.00 0.00 O ATOM 0 H GLU A 40 7.277 -1.707 0.624 1.00 0.00 H new ATOM 0 HA GLU A 40 7.405 -4.537 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.459 -3.810 3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.203 -3.070 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.009 -0.978 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.100 -1.705 3.540 1.00 0.00 H new ATOM 594 N CYS A 41 5.234 -2.682 2.764 1.00 0.00 N ATOM 595 CA CYS A 41 4.029 -2.736 3.583 1.00 0.00 C ATOM 596 C CYS A 41 2.931 -3.531 2.883 1.00 0.00 C ATOM 597 O CYS A 41 2.373 -4.472 3.450 1.00 0.00 O ATOM 598 CB CYS A 41 3.533 -1.322 3.891 1.00 0.00 C ATOM 599 SG CYS A 41 4.508 -0.452 5.160 1.00 0.00 S ATOM 0 H CYS A 41 5.519 -1.740 2.495 1.00 0.00 H new ATOM 0 HA CYS A 41 4.277 -3.238 4.518 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.547 -0.736 2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.495 -1.376 4.219 1.00 0.00 H new ATOM 0 HG CYS A 41 4.283 0.826 5.080 1.00 0.00 H new ATOM 604 N LEU A 42 2.626 -3.147 1.648 1.00 0.00 N ATOM 605 CA LEU A 42 1.595 -3.824 0.869 1.00 0.00 C ATOM 606 C LEU A 42 1.817 -5.333 0.867 1.00 0.00 C ATOM 607 O LEU A 42 2.660 -5.846 0.130 1.00 0.00 O ATOM 608 CB LEU A 42 1.584 -3.296 -0.566 1.00 0.00 C ATOM 609 CG LEU A 42 0.512 -3.879 -1.488 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.878 -3.527 -0.980 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.704 -3.380 -2.912 1.00 0.00 C ATOM 0 H LEU A 42 3.078 -2.371 1.165 1.00 0.00 H new ATOM 0 HA LEU A 42 0.630 -3.618 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.457 -2.214 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.561 -3.489 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 42 0.612 -4.964 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.628 -3.950 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.013 -3.935 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.990 -2.443 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.068 -3.805 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.632 -2.293 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.686 -3.684 -3.275 1.00 0.00 H new ATOM 623 N VAL A 43 1.053 -6.040 1.693 1.00 0.00 N ATOM 624 CA VAL A 43 1.164 -7.491 1.784 1.00 0.00 C ATOM 625 C VAL A 43 -0.162 -8.118 2.202 1.00 0.00 C ATOM 626 O VAL A 43 -0.997 -7.469 2.832 1.00 0.00 O ATOM 627 CB VAL A 43 2.256 -7.909 2.787 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.606 -7.344 2.372 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.889 -7.458 4.192 1.00 0.00 C ATOM 0 H VAL A 43 0.350 -5.631 2.309 1.00 0.00 H new ATOM 0 HA VAL A 43 1.436 -7.851 0.792 1.00 0.00 H new ATOM 0 HB VAL A 43 2.329 -8.997 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.365 -7.649 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.870 -7.721 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.551 -6.256 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.671 -7.762 4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.788 -6.373 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.944 -7.916 4.486 1.00 0.00 H new ATOM 639 N CYS A 44 -0.348 -9.385 1.848 1.00 0.00 N ATOM 640 CA CYS A 44 -1.572 -10.102 2.186 1.00 0.00 C ATOM 641 C CYS A 44 -1.855 -10.019 3.683 1.00 0.00 C ATOM 642 O CYS A 44 -0.936 -9.915 4.496 1.00 0.00 O ATOM 643 CB CYS A 44 -1.464 -11.567 1.757 1.00 0.00 C ATOM 644 SG CYS A 44 -2.950 -12.558 2.118 1.00 0.00 S ATOM 0 H CYS A 44 0.334 -9.937 1.327 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.398 -9.633 1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.265 -11.607 0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.608 -12.019 2.258 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.077 -13.491 1.222 1.00 0.00 H new ATOM 649 N THR A 45 -3.135 -10.066 4.041 1.00 0.00 N ATOM 650 CA THR A 45 -3.540 -9.995 5.439 1.00 0.00 C ATOM 651 C THR A 45 -3.729 -11.388 6.028 1.00 0.00 C ATOM 652 O THR A 45 -4.415 -11.559 7.035 1.00 0.00 O ATOM 653 CB THR A 45 -4.848 -9.198 5.605 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.766 -7.966 4.880 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.125 -8.911 7.073 1.00 0.00 C ATOM 0 H THR A 45 -3.908 -10.153 3.382 1.00 0.00 H new ATOM 0 HA THR A 45 -2.740 -9.483 5.974 1.00 0.00 H new ATOM 0 HB THR A 45 -5.666 -9.799 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.179 -7.249 5.405 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.053 -8.347 7.165 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.216 -9.851 7.617 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.304 -8.328 7.491 1.00 0.00 H new ATOM 663 N GLY A 46 -3.116 -12.382 5.393 1.00 0.00 N ATOM 664 CA GLY A 46 -3.229 -13.748 5.869 1.00 0.00 C ATOM 665 C GLY A 46 -1.890 -14.457 5.921 1.00 0.00 C ATOM 666 O GLY A 46 -1.513 -15.013 6.954 1.00 0.00 O ATOM 0 H GLY A 46 -2.543 -12.266 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.675 -13.747 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.905 -14.302 5.217 1.00 0.00 H new ATOM 670 N CYS A 47 -1.169 -14.439 4.805 1.00 0.00 N ATOM 671 CA CYS A 47 0.134 -15.087 4.726 1.00 0.00 C ATOM 672 C CYS A 47 1.258 -14.055 4.773 1.00 0.00 C ATOM 673 O CYS A 47 2.429 -14.405 4.914 1.00 0.00 O ATOM 674 CB CYS A 47 0.240 -15.913 3.443 1.00 0.00 C ATOM 675 SG CYS A 47 -0.036 -14.956 1.917 1.00 0.00 S ATOM 0 H CYS A 47 -1.466 -13.982 3.943 1.00 0.00 H new ATOM 0 HA CYS A 47 0.235 -15.749 5.586 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.229 -16.370 3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.485 -16.726 3.486 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.092 -14.211 2.057 1.00 0.00 H new ATOM 680 N GLN A 48 0.891 -12.783 4.654 1.00 0.00 N ATOM 681 CA GLN A 48 1.867 -11.700 4.683 1.00 0.00 C ATOM 682 C GLN A 48 2.804 -11.781 3.482 1.00 0.00 C ATOM 683 O GLN A 48 4.026 -11.805 3.635 1.00 0.00 O ATOM 684 CB GLN A 48 2.676 -11.749 5.980 1.00 0.00 C ATOM 685 CG GLN A 48 1.822 -11.652 7.234 1.00 0.00 C ATOM 686 CD GLN A 48 1.489 -10.219 7.604 1.00 0.00 C ATOM 687 OE1 GLN A 48 2.106 -9.637 8.497 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.510 -9.643 6.917 1.00 0.00 N ATOM 0 H GLN A 48 -0.075 -12.477 4.537 1.00 0.00 H new ATOM 0 HA GLN A 48 1.326 -10.755 4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.245 -12.678 6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.399 -10.933 5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.897 -12.209 7.083 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.347 -12.125 8.064 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.026 -10.163 6.185 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.242 -8.680 7.121 1.00 0.00 H new ATOM 697 N THR A 49 2.224 -11.823 2.287 1.00 0.00 N ATOM 698 CA THR A 49 3.007 -11.903 1.060 1.00 0.00 C ATOM 699 C THR A 49 2.886 -10.619 0.246 1.00 0.00 C ATOM 700 O THR A 49 1.817 -10.016 0.148 1.00 0.00 O ATOM 701 CB THR A 49 2.566 -13.093 0.188 1.00 0.00 C ATOM 702 OG1 THR A 49 3.566 -13.377 -0.796 1.00 0.00 O ATOM 703 CG2 THR A 49 1.240 -12.799 -0.498 1.00 0.00 C ATOM 0 H THR A 49 1.214 -11.803 2.143 1.00 0.00 H new ATOM 0 HA THR A 49 4.046 -12.046 1.357 1.00 0.00 H new ATOM 0 HB THR A 49 2.438 -13.961 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.278 -14.136 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.949 -13.654 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.474 -12.613 0.255 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.346 -11.919 -1.133 1.00 0.00 H new ATOM 711 N PRO A 50 4.006 -10.189 -0.353 1.00 0.00 N ATOM 712 CA PRO A 50 4.051 -8.973 -1.170 1.00 0.00 C ATOM 713 C PRO A 50 3.291 -9.130 -2.483 1.00 0.00 C ATOM 714 O PRO A 50 3.723 -9.857 -3.379 1.00 0.00 O ATOM 715 CB PRO A 50 5.545 -8.779 -1.436 1.00 0.00 C ATOM 716 CG PRO A 50 6.131 -10.144 -1.322 1.00 0.00 C ATOM 717 CD PRO A 50 5.316 -10.858 -0.279 1.00 0.00 C ATOM 0 HA PRO A 50 3.581 -8.127 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.719 -8.355 -2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.990 -8.095 -0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.089 -10.668 -2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.180 -10.095 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.235 -11.924 -0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.760 -10.764 0.712 1.00 0.00 H new ATOM 725 N LEU A 51 2.160 -8.442 -2.592 1.00 0.00 N ATOM 726 CA LEU A 51 1.340 -8.504 -3.797 1.00 0.00 C ATOM 727 C LEU A 51 1.880 -7.565 -4.872 1.00 0.00 C ATOM 728 O LEU A 51 1.241 -7.353 -5.902 1.00 0.00 O ATOM 729 CB LEU A 51 -0.110 -8.144 -3.471 1.00 0.00 C ATOM 730 CG LEU A 51 -0.729 -8.869 -2.275 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.778 -7.995 -1.605 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.335 -10.195 -2.710 1.00 0.00 C ATOM 0 H LEU A 51 1.790 -7.835 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 51 1.377 -9.524 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.165 -7.071 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.721 -8.349 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 51 0.060 -9.073 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.207 -8.528 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.314 -7.072 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.565 -7.758 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.771 -10.697 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.111 -10.014 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.558 -10.826 -3.142 1.00 0.00 H new ATOM 744 N ALA A 52 3.060 -7.008 -4.624 1.00 0.00 N ATOM 745 CA ALA A 52 3.688 -6.095 -5.572 1.00 0.00 C ATOM 746 C ALA A 52 3.628 -6.651 -6.991 1.00 0.00 C ATOM 747 O ALA A 52 4.378 -7.559 -7.344 1.00 0.00 O ATOM 748 CB ALA A 52 5.130 -5.825 -5.169 1.00 0.00 C ATOM 0 H ALA A 52 3.601 -7.172 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 52 3.136 -5.155 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.586 -5.142 -5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.152 -5.377 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.686 -6.762 -5.157 1.00 0.00 H new ATOM 754 N GLY A 53 2.729 -6.098 -7.801 1.00 0.00 N ATOM 755 CA GLY A 53 2.588 -6.553 -9.172 1.00 0.00 C ATOM 756 C GLY A 53 2.040 -7.963 -9.262 1.00 0.00 C ATOM 757 O GLY A 53 2.406 -8.721 -10.159 1.00 0.00 O ATOM 0 H GLY A 53 2.097 -5.344 -7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.926 -5.874 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.558 -6.511 -9.667 1.00 0.00 H new ATOM 761 N GLN A 54 1.161 -8.315 -8.329 1.00 0.00 N ATOM 762 CA GLN A 54 0.563 -9.645 -8.306 1.00 0.00 C ATOM 763 C GLN A 54 -0.959 -9.558 -8.284 1.00 0.00 C ATOM 764 O GLN A 54 -1.526 -8.578 -7.801 1.00 0.00 O ATOM 765 CB GLN A 54 1.059 -10.429 -7.090 1.00 0.00 C ATOM 766 CG GLN A 54 0.273 -11.703 -6.825 1.00 0.00 C ATOM 767 CD GLN A 54 1.107 -12.774 -6.151 1.00 0.00 C ATOM 768 OE1 GLN A 54 1.361 -13.833 -6.727 1.00 0.00 O ATOM 769 NE2 GLN A 54 1.538 -12.505 -4.924 1.00 0.00 N ATOM 0 H GLN A 54 0.847 -7.698 -7.580 1.00 0.00 H new ATOM 0 HA GLN A 54 0.865 -10.167 -9.214 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.109 -10.683 -7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.005 -9.789 -6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.588 -11.470 -6.198 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.114 -12.089 -7.768 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.304 -11.615 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.103 -13.189 -4.421 1.00 0.00 H new ATOM 778 N GLN A 55 -1.614 -10.588 -8.809 1.00 0.00 N ATOM 779 CA GLN A 55 -3.071 -10.626 -8.850 1.00 0.00 C ATOM 780 C GLN A 55 -3.644 -10.987 -7.484 1.00 0.00 C ATOM 781 O GLN A 55 -3.348 -12.048 -6.935 1.00 0.00 O ATOM 782 CB GLN A 55 -3.546 -11.634 -9.898 1.00 0.00 C ATOM 783 CG GLN A 55 -3.742 -11.029 -11.279 1.00 0.00 C ATOM 784 CD GLN A 55 -4.713 -9.865 -11.274 1.00 0.00 C ATOM 785 OE1 GLN A 55 -4.325 -8.717 -11.491 1.00 0.00 O ATOM 786 NE2 GLN A 55 -5.985 -10.156 -11.027 1.00 0.00 N ATOM 0 H GLN A 55 -1.159 -11.407 -9.212 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.428 -9.633 -9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.821 -12.445 -9.965 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.486 -12.074 -9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.779 -10.692 -11.664 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.106 -11.798 -11.960 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.263 -11.122 -10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.684 -9.414 -11.012 1.00 0.00 H new ATOM 795 N PHE A 56 -4.467 -10.096 -6.939 1.00 0.00 N ATOM 796 CA PHE A 56 -5.081 -10.320 -5.636 1.00 0.00 C ATOM 797 C PHE A 56 -6.453 -9.656 -5.560 1.00 0.00 C ATOM 798 O PHE A 56 -6.912 -9.040 -6.522 1.00 0.00 O ATOM 799 CB PHE A 56 -4.179 -9.780 -4.524 1.00 0.00 C ATOM 800 CG PHE A 56 -3.999 -8.290 -4.568 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.909 -7.450 -3.945 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.921 -7.728 -5.232 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.746 -6.078 -3.985 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.753 -6.357 -5.275 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.666 -5.531 -4.649 1.00 0.00 C ATOM 0 H PHE A 56 -4.724 -9.213 -7.380 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.208 -11.394 -5.502 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.600 -10.059 -3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.202 -10.258 -4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.755 -7.872 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.203 -8.369 -5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.463 -5.434 -3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.909 -5.932 -5.797 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.535 -4.459 -4.679 1.00 0.00 H new ATOM 815 N THR A 57 -7.104 -9.787 -4.408 1.00 0.00 N ATOM 816 CA THR A 57 -8.424 -9.203 -4.206 1.00 0.00 C ATOM 817 C THR A 57 -8.524 -8.528 -2.843 1.00 0.00 C ATOM 818 O THR A 57 -7.817 -8.897 -1.904 1.00 0.00 O ATOM 819 CB THR A 57 -9.533 -10.266 -4.322 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.814 -9.663 -4.111 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.320 -11.383 -3.312 1.00 0.00 C ATOM 0 H THR A 57 -6.738 -10.292 -3.601 1.00 0.00 H new ATOM 0 HA THR A 57 -8.562 -8.457 -4.989 1.00 0.00 H new ATOM 0 HB THR A 57 -9.493 -10.692 -5.325 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.513 -10.345 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.115 -12.121 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.357 -11.860 -3.494 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.335 -10.969 -2.304 1.00 0.00 H new ATOM 829 N SER A 58 -9.405 -7.539 -2.740 1.00 0.00 N ATOM 830 CA SER A 58 -9.595 -6.810 -1.491 1.00 0.00 C ATOM 831 C SER A 58 -10.835 -7.307 -0.755 1.00 0.00 C ATOM 832 O SER A 58 -11.891 -7.504 -1.358 1.00 0.00 O ATOM 833 CB SER A 58 -9.717 -5.310 -1.765 1.00 0.00 C ATOM 834 OG SER A 58 -8.699 -4.868 -2.646 1.00 0.00 O ATOM 0 H SER A 58 -9.999 -7.223 -3.507 1.00 0.00 H new ATOM 0 HA SER A 58 -8.724 -6.987 -0.860 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.694 -5.094 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.654 -4.759 -0.826 1.00 0.00 H new ATOM 0 HG SER A 58 -8.012 -4.388 -2.138 1.00 0.00 H new ATOM 840 N ARG A 59 -10.700 -7.508 0.551 1.00 0.00 N ATOM 841 CA ARG A 59 -11.808 -7.983 1.370 1.00 0.00 C ATOM 842 C ARG A 59 -11.824 -7.279 2.724 1.00 0.00 C ATOM 843 O ARG A 59 -10.800 -7.192 3.402 1.00 0.00 O ATOM 844 CB ARG A 59 -11.710 -9.496 1.571 1.00 0.00 C ATOM 845 CG ARG A 59 -13.055 -10.172 1.783 1.00 0.00 C ATOM 846 CD ARG A 59 -13.738 -10.480 0.459 1.00 0.00 C ATOM 847 NE ARG A 59 -15.160 -10.763 0.630 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.062 -10.604 -0.332 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.690 -10.166 -1.528 1.00 0.00 N ATOM 850 NH2 ARG A 59 -17.338 -10.883 -0.100 1.00 0.00 N ATOM 0 H ARG A 59 -9.834 -7.349 1.065 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.737 -7.752 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.224 -9.938 0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.072 -9.699 2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.915 -11.095 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.697 -9.528 2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.615 -9.634 -0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.252 -11.336 -0.009 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.478 -11.101 1.538 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.710 -9.951 -1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.384 -10.045 -2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.628 -11.220 0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.030 -10.760 -0.840 1.00 0.00 H new ATOM 864 N ASP A 60 -12.993 -6.779 3.111 1.00 0.00 N ATOM 865 CA ASP A 60 -13.143 -6.083 4.384 1.00 0.00 C ATOM 866 C ASP A 60 -12.043 -5.042 4.567 1.00 0.00 C ATOM 867 O ASP A 60 -11.406 -4.977 5.618 1.00 0.00 O ATOM 868 CB ASP A 60 -13.115 -7.082 5.542 1.00 0.00 C ATOM 869 CG ASP A 60 -12.213 -8.268 5.261 1.00 0.00 C ATOM 870 OD1 ASP A 60 -12.704 -9.265 4.690 1.00 0.00 O ATOM 871 OD2 ASP A 60 -11.017 -8.200 5.612 1.00 0.00 O ATOM 0 H ASP A 60 -13.850 -6.843 2.562 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.105 -5.571 4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.775 -6.577 6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.127 -7.437 5.737 1.00 0.00 H new ATOM 876 N GLU A 61 -11.825 -4.231 3.537 1.00 0.00 N ATOM 877 CA GLU A 61 -10.801 -3.194 3.585 1.00 0.00 C ATOM 878 C GLU A 61 -9.431 -3.797 3.883 1.00 0.00 C ATOM 879 O GLU A 61 -8.593 -3.170 4.532 1.00 0.00 O ATOM 880 CB GLU A 61 -11.152 -2.147 4.644 1.00 0.00 C ATOM 881 CG GLU A 61 -12.558 -1.588 4.505 1.00 0.00 C ATOM 882 CD GLU A 61 -12.684 -0.182 5.058 1.00 0.00 C ATOM 883 OE1 GLU A 61 -11.653 0.520 5.133 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.811 0.216 5.416 1.00 0.00 O ATOM 0 H GLU A 61 -12.343 -4.272 2.660 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.762 -2.712 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.043 -2.592 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.436 -1.327 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.842 -1.587 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.258 -2.243 5.024 1.00 0.00 H new ATOM 891 N ASP A 62 -9.211 -5.017 3.406 1.00 0.00 N ATOM 892 CA ASP A 62 -7.944 -5.705 3.621 1.00 0.00 C ATOM 893 C ASP A 62 -7.507 -6.447 2.362 1.00 0.00 C ATOM 894 O ASP A 62 -8.239 -7.271 1.812 1.00 0.00 O ATOM 895 CB ASP A 62 -8.062 -6.685 4.790 1.00 0.00 C ATOM 896 CG ASP A 62 -7.935 -5.999 6.136 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.105 -5.073 6.254 1.00 0.00 O ATOM 898 OD2 ASP A 62 -8.666 -6.387 7.070 1.00 0.00 O ATOM 0 H ASP A 62 -9.894 -5.550 2.868 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.189 -4.956 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.023 -7.197 4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.289 -7.448 4.700 1.00 0.00 H new ATOM 903 N PRO A 63 -6.287 -6.148 1.891 1.00 0.00 N ATOM 904 CA PRO A 63 -5.727 -6.775 0.690 1.00 0.00 C ATOM 905 C PRO A 63 -5.390 -8.246 0.908 1.00 0.00 C ATOM 906 O PRO A 63 -4.487 -8.579 1.676 1.00 0.00 O ATOM 907 CB PRO A 63 -4.453 -5.967 0.431 1.00 0.00 C ATOM 908 CG PRO A 63 -4.071 -5.423 1.764 1.00 0.00 C ATOM 909 CD PRO A 63 -5.361 -5.176 2.495 1.00 0.00 C ATOM 0 HA PRO A 63 -6.431 -6.765 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.663 -6.595 0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.631 -5.166 -0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.443 -6.128 2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.499 -4.501 1.660 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.252 -5.337 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.709 -4.152 2.360 1.00 0.00 H new ATOM 917 N TYR A 64 -6.120 -9.122 0.228 1.00 0.00 N ATOM 918 CA TYR A 64 -5.900 -10.559 0.349 1.00 0.00 C ATOM 919 C TYR A 64 -5.471 -11.158 -0.987 1.00 0.00 C ATOM 920 O TYR A 64 -5.996 -10.797 -2.041 1.00 0.00 O ATOM 921 CB TYR A 64 -7.170 -11.251 0.847 1.00 0.00 C ATOM 922 CG TYR A 64 -7.419 -11.065 2.327 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.767 -11.854 3.266 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.308 -10.100 2.786 1.00 0.00 C ATOM 925 CE1 TYR A 64 -6.993 -11.689 4.619 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.539 -9.927 4.136 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.879 -10.724 5.049 1.00 0.00 C ATOM 928 OH TYR A 64 -8.106 -10.555 6.396 1.00 0.00 O ATOM 0 H TYR A 64 -6.870 -8.863 -0.413 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.100 -10.719 1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.025 -10.866 0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.102 -12.317 0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.071 -12.610 2.933 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.827 -9.475 2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.479 -12.312 5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.232 -9.172 4.476 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.756 -9.834 6.530 1.00 0.00 H new ATOM 938 N CYS A 65 -4.513 -12.078 -0.935 1.00 0.00 N ATOM 939 CA CYS A 65 -4.012 -12.730 -2.138 1.00 0.00 C ATOM 940 C CYS A 65 -4.945 -13.856 -2.576 1.00 0.00 C ATOM 941 O CYS A 65 -5.722 -14.379 -1.777 1.00 0.00 O ATOM 942 CB CYS A 65 -2.606 -13.283 -1.897 1.00 0.00 C ATOM 943 SG CYS A 65 -2.574 -14.870 -1.003 1.00 0.00 S ATOM 0 H CYS A 65 -4.068 -12.389 -0.071 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.971 -11.986 -2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.107 -13.409 -2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.030 -12.549 -1.333 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.697 -14.811 -0.045 1.00 0.00 H new ATOM 948 N VAL A 66 -4.861 -14.224 -3.851 1.00 0.00 N ATOM 949 CA VAL A 66 -5.696 -15.288 -4.395 1.00 0.00 C ATOM 950 C VAL A 66 -5.563 -16.565 -3.573 1.00 0.00 C ATOM 951 O VAL A 66 -6.536 -17.295 -3.379 1.00 0.00 O ATOM 952 CB VAL A 66 -5.332 -15.593 -5.860 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.215 -16.703 -6.410 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.448 -14.337 -6.710 1.00 0.00 C ATOM 0 H VAL A 66 -4.224 -13.801 -4.526 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.727 -14.936 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.297 -15.934 -5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.943 -16.905 -7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.076 -17.606 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.259 -16.394 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.187 -14.571 -7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.471 -13.964 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.769 -13.575 -6.328 1.00 0.00 H new ATOM 964 N ALA A 67 -4.353 -16.830 -3.092 1.00 0.00 N ATOM 965 CA ALA A 67 -4.093 -18.018 -2.288 1.00 0.00 C ATOM 966 C ALA A 67 -4.888 -17.985 -0.987 1.00 0.00 C ATOM 967 O ALA A 67 -5.269 -19.028 -0.454 1.00 0.00 O ATOM 968 CB ALA A 67 -2.605 -18.143 -1.998 1.00 0.00 C ATOM 0 H ALA A 67 -3.537 -16.238 -3.245 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.415 -18.890 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.425 -19.034 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.057 -18.222 -2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.265 -17.263 -1.452 1.00 0.00 H new ATOM 974 N CYS A 68 -5.133 -16.782 -0.479 1.00 0.00 N ATOM 975 CA CYS A 68 -5.881 -16.613 0.760 1.00 0.00 C ATOM 976 C CYS A 68 -7.379 -16.520 0.484 1.00 0.00 C ATOM 977 O CYS A 68 -8.179 -17.232 1.092 1.00 0.00 O ATOM 978 CB CYS A 68 -5.409 -15.358 1.498 1.00 0.00 C ATOM 979 SG CYS A 68 -3.944 -15.620 2.548 1.00 0.00 S ATOM 0 H CYS A 68 -4.824 -15.909 -0.907 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.699 -17.486 1.387 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.184 -14.582 0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.225 -14.985 2.117 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.333 -14.487 2.731 1.00 0.00 H new ATOM 984 N PHE A 69 -7.752 -15.639 -0.438 1.00 0.00 N ATOM 985 CA PHE A 69 -9.153 -15.453 -0.795 1.00 0.00 C ATOM 986 C PHE A 69 -9.837 -16.796 -1.033 1.00 0.00 C ATOM 987 O PHE A 69 -10.950 -17.030 -0.563 1.00 0.00 O ATOM 988 CB PHE A 69 -9.271 -14.580 -2.047 1.00 0.00 C ATOM 989 CG PHE A 69 -10.689 -14.326 -2.469 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.498 -13.463 -1.747 1.00 0.00 C ATOM 991 CD2 PHE A 69 -11.215 -14.951 -3.589 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.804 -13.227 -2.133 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.520 -14.719 -3.980 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.316 -13.856 -3.251 1.00 0.00 C ATOM 0 H PHE A 69 -7.103 -15.043 -0.952 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.650 -14.954 0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.779 -13.625 -1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.737 -15.060 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.103 -12.969 -0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.598 -15.627 -4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.423 -12.552 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.918 -15.212 -4.855 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.336 -13.674 -3.555 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.163 -17.675 -1.767 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.720 -18.984 -2.055 1.00 0.00 C ATOM 1006 C GLY A 70 -9.295 -20.031 -1.045 1.00 0.00 C ATOM 1007 O GLY A 70 -9.257 -21.221 -1.354 1.00 0.00 O ATOM 0 H GLY A 70 -8.241 -17.504 -2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.808 -18.917 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.408 -19.297 -3.051 1.00 0.00 H new ATOM 1011 N GLU A 71 -8.972 -19.586 0.166 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.545 -20.494 1.223 1.00 0.00 C ATOM 1013 C GLU A 71 -9.284 -20.199 2.525 1.00 0.00 C ATOM 1014 O GLU A 71 -9.670 -21.114 3.254 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.035 -20.380 1.445 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.538 -21.151 2.656 1.00 0.00 C ATOM 1017 CD GLU A 71 -6.358 -22.630 2.374 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -6.113 -22.985 1.202 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -6.462 -23.432 3.326 1.00 0.00 O ATOM 0 H GLU A 71 -8.998 -18.603 0.438 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.784 -21.511 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.517 -20.742 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.772 -19.329 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.588 -20.730 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.244 -21.025 3.477 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.478 -18.917 2.811 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.170 -18.500 4.026 1.00 0.00 C ATOM 1028 C LEU A 72 -11.681 -18.490 3.815 1.00 0.00 C ATOM 1029 O LEU A 72 -12.413 -19.241 4.460 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.695 -17.111 4.456 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.291 -17.038 5.056 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.244 -17.384 4.008 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.030 -15.655 5.636 1.00 0.00 C ATOM 0 H LEU A 72 -9.166 -18.148 2.218 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.936 -19.217 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.733 -16.452 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.402 -16.717 5.187 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.223 -17.768 5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.251 -17.327 4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.419 -18.395 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.311 -16.679 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.026 -15.621 6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.117 -14.907 4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.760 -15.445 6.418 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.141 -17.637 2.906 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.565 -17.530 2.609 1.00 0.00 C ATOM 1047 C PHE A 73 -14.049 -18.745 1.823 1.00 0.00 C ATOM 1048 O PHE A 73 -15.117 -19.291 2.098 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.848 -16.251 1.818 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.059 -15.065 2.294 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.340 -14.474 3.515 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -12.036 -14.541 1.520 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.616 -13.382 3.955 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.309 -13.449 1.955 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.599 -12.870 3.174 1.00 0.00 C ATOM 0 H PHE A 73 -11.549 -17.010 2.362 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.106 -17.491 3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.625 -16.427 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.911 -16.020 1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.134 -14.871 4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.804 -14.991 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.845 -12.930 4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.515 -13.049 1.342 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.031 -12.018 3.516 1.00 0.00 H new