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 11:sc= 1.27 USER MOD Set 1.2: A 47 CYS SG : rot -50:sc= 0.63 USER MOD Set 1.3: A 65 CYS SG : rot -131:sc= -3.34! USER MOD Set 1.4: A 68 CYS SG : rot 147:sc= 0.965 USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 0.137 USER MOD Set 2.2: A 58 SER OG : rot -127:sc= 0.306! USER MOD Set 3.1: A 18 CYS SG : rot 20:sc= -1.07! USER MOD Set 3.2: A 21 CYS SG : rot 180:sc= 0.0274 USER MOD Set 3.3: A 38 HIS : no HD1:sc= -6.05! C(o=-8.3!,f=-9.4!) USER MOD Set 3.4: A 41 CYS SG : rot -162:sc= -1.25 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 -13:sc= 0.165 USER MOD Single : A 35 GLN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 45 THR OG1 : rot 71:sc= 0.207 USER MOD Single : A 48 GLN : amide:sc= 0.579 K(o=0.58,f=-0.016) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 54 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.027) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 3.714 11.451 -2.431 1.00 0.00 N ATOM 194 CA PRO A 16 2.843 10.458 -1.796 1.00 0.00 C ATOM 195 C PRO A 16 3.546 9.701 -0.675 1.00 0.00 C ATOM 196 O PRO A 16 4.732 9.387 -0.774 1.00 0.00 O ATOM 197 CB PRO A 16 2.493 9.508 -2.945 1.00 0.00 C ATOM 198 CG PRO A 16 3.624 9.642 -3.905 1.00 0.00 C ATOM 199 CD PRO A 16 4.087 11.069 -3.803 1.00 0.00 C ATOM 0 HA PRO A 16 1.975 10.919 -1.325 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.392 8.481 -2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.545 9.780 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.430 8.952 -3.657 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.304 9.407 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.161 11.156 -3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.600 11.704 -4.543 1.00 0.00 H new ATOM 207 N ARG A 17 2.808 9.412 0.392 1.00 0.00 N ATOM 208 CA ARG A 17 3.362 8.692 1.532 1.00 0.00 C ATOM 209 C ARG A 17 2.555 7.430 1.822 1.00 0.00 C ATOM 210 O ARG A 17 1.336 7.406 1.653 1.00 0.00 O ATOM 211 CB ARG A 17 3.382 9.593 2.769 1.00 0.00 C ATOM 212 CG ARG A 17 4.129 10.900 2.558 1.00 0.00 C ATOM 213 CD ARG A 17 4.212 11.707 3.844 1.00 0.00 C ATOM 214 NE ARG A 17 4.603 13.092 3.596 1.00 0.00 N ATOM 215 CZ ARG A 17 4.417 14.076 4.469 1.00 0.00 C ATOM 216 NH1 ARG A 17 3.849 13.828 5.641 1.00 0.00 N ATOM 217 NH2 ARG A 17 4.801 15.311 4.171 1.00 0.00 N ATOM 0 H ARG A 17 1.825 9.666 0.491 1.00 0.00 H new ATOM 0 HA ARG A 17 4.383 8.401 1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.356 9.814 3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.841 9.051 3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.134 10.691 2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.626 11.488 1.790 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.245 11.688 4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.932 11.242 4.518 1.00 0.00 H new ATOM 0 HE ARG A 17 5.043 13.316 2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.554 12.880 5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.707 14.585 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.239 15.506 3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.658 16.066 4.842 1.00 0.00 H new ATOM 231 N CYS A 18 3.245 6.382 2.260 1.00 0.00 N ATOM 232 CA CYS A 18 2.595 5.115 2.574 1.00 0.00 C ATOM 233 C CYS A 18 1.326 5.342 3.391 1.00 0.00 C ATOM 234 O CYS A 18 1.354 6.003 4.428 1.00 0.00 O ATOM 235 CB CYS A 18 3.552 4.202 3.342 1.00 0.00 C ATOM 236 SG CYS A 18 2.884 2.543 3.685 1.00 0.00 S ATOM 0 H CYS A 18 4.255 6.385 2.406 1.00 0.00 H new ATOM 0 HA CYS A 18 2.321 4.634 1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.475 4.099 2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.813 4.679 4.287 1.00 0.00 H new ATOM 0 HG CYS A 18 1.903 2.293 2.869 1.00 0.00 H new ATOM 241 N ALA A 19 0.215 4.789 2.914 1.00 0.00 N ATOM 242 CA ALA A 19 -1.063 4.929 3.601 1.00 0.00 C ATOM 243 C ALA A 19 -1.024 4.265 4.973 1.00 0.00 C ATOM 244 O ALA A 19 -1.898 4.496 5.810 1.00 0.00 O ATOM 245 CB ALA A 19 -2.183 4.338 2.758 1.00 0.00 C ATOM 0 H ALA A 19 0.175 4.240 2.055 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.255 5.992 3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.131 4.450 3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.234 4.860 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.987 3.280 2.583 1.00 0.00 H new ATOM 251 N ARG A 20 -0.007 3.439 5.198 1.00 0.00 N ATOM 252 CA ARG A 20 0.143 2.740 6.468 1.00 0.00 C ATOM 253 C ARG A 20 1.028 3.535 7.424 1.00 0.00 C ATOM 254 O ARG A 20 0.610 3.887 8.527 1.00 0.00 O ATOM 255 CB ARG A 20 0.738 1.349 6.242 1.00 0.00 C ATOM 256 CG ARG A 20 1.140 0.643 7.526 1.00 0.00 C ATOM 257 CD ARG A 20 -0.044 -0.063 8.168 1.00 0.00 C ATOM 258 NE ARG A 20 0.244 -0.480 9.537 1.00 0.00 N ATOM 259 CZ ARG A 20 1.013 -1.519 9.843 1.00 0.00 C ATOM 260 NH1 ARG A 20 1.569 -2.243 8.880 1.00 0.00 N ATOM 261 NH2 ARG A 20 1.229 -1.837 11.113 1.00 0.00 N ATOM 0 H ARG A 20 0.725 3.238 4.517 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.845 2.636 6.916 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.011 0.734 5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.612 1.437 5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.926 -0.082 7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.556 1.368 8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.907 0.602 8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.312 -0.935 7.572 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.168 0.056 10.301 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.406 -2.002 7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.159 -3.040 9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.804 -1.283 11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.820 -2.635 11.345 1.00 0.00 H new ATOM 275 N CYS A 21 2.254 3.813 6.994 1.00 0.00 N ATOM 276 CA CYS A 21 3.200 4.564 7.810 1.00 0.00 C ATOM 277 C CYS A 21 3.125 6.056 7.496 1.00 0.00 C ATOM 278 O CYS A 21 3.215 6.895 8.392 1.00 0.00 O ATOM 279 CB CYS A 21 4.624 4.054 7.579 1.00 0.00 C ATOM 280 SG CYS A 21 4.728 2.267 7.244 1.00 0.00 S ATOM 0 H CYS A 21 2.616 3.529 6.084 1.00 0.00 H new ATOM 0 HA CYS A 21 2.934 4.417 8.857 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.061 4.596 6.740 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.228 4.284 8.457 1.00 0.00 H new ATOM 0 HG CYS A 21 5.970 1.932 7.060 1.00 0.00 H new ATOM 285 N SER A 22 2.959 6.377 6.217 1.00 0.00 N ATOM 286 CA SER A 22 2.875 7.767 5.784 1.00 0.00 C ATOM 287 C SER A 22 4.221 8.467 5.940 1.00 0.00 C ATOM 288 O SER A 22 4.305 9.561 6.499 1.00 0.00 O ATOM 289 CB SER A 22 1.805 8.510 6.586 1.00 0.00 C ATOM 290 OG SER A 22 1.321 9.634 5.871 1.00 0.00 O ATOM 0 H SER A 22 2.880 5.694 5.463 1.00 0.00 H new ATOM 0 HA SER A 22 2.600 7.777 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.979 7.834 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.220 8.833 7.540 1.00 0.00 H new ATOM 0 HG SER A 22 0.637 10.091 6.404 1.00 0.00 H new ATOM 296 N LYS A 23 5.274 7.828 5.442 1.00 0.00 N ATOM 297 CA LYS A 23 6.618 8.388 5.524 1.00 0.00 C ATOM 298 C LYS A 23 6.967 9.155 4.252 1.00 0.00 C ATOM 299 O LYS A 23 6.971 10.386 4.239 1.00 0.00 O ATOM 300 CB LYS A 23 7.643 7.275 5.758 1.00 0.00 C ATOM 301 CG LYS A 23 7.353 6.430 6.986 1.00 0.00 C ATOM 302 CD LYS A 23 7.879 7.087 8.252 1.00 0.00 C ATOM 303 CE LYS A 23 9.384 6.912 8.386 1.00 0.00 C ATOM 304 NZ LYS A 23 9.978 7.916 9.312 1.00 0.00 N ATOM 0 H LYS A 23 5.223 6.922 4.977 1.00 0.00 H new ATOM 0 HA LYS A 23 6.645 9.082 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.672 6.629 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.633 7.720 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.278 6.274 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.809 5.447 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.635 8.149 8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.382 6.655 9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.602 5.908 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.849 7.003 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.005 7.764 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.792 8.874 8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.553 7.813 10.255 1.00 0.00 H new ATOM 318 N THR A 24 7.258 8.419 3.184 1.00 0.00 N ATOM 319 CA THR A 24 7.607 9.030 1.907 1.00 0.00 C ATOM 320 C THR A 24 7.739 7.978 0.812 1.00 0.00 C ATOM 321 O THR A 24 8.165 6.851 1.068 1.00 0.00 O ATOM 322 CB THR A 24 8.925 9.821 2.005 1.00 0.00 C ATOM 323 OG1 THR A 24 9.797 9.204 2.958 1.00 0.00 O ATOM 324 CG2 THR A 24 8.661 11.264 2.411 1.00 0.00 C ATOM 0 H THR A 24 7.259 7.399 3.178 1.00 0.00 H new ATOM 0 HA THR A 24 6.798 9.715 1.653 1.00 0.00 H new ATOM 0 HB THR A 24 9.399 9.817 1.024 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.633 9.712 3.013 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.606 11.803 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.021 11.740 1.668 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.167 11.284 3.382 1.00 0.00 H new ATOM 332 N LEU A 25 7.371 8.352 -0.408 1.00 0.00 N ATOM 333 CA LEU A 25 7.449 7.440 -1.544 1.00 0.00 C ATOM 334 C LEU A 25 8.061 8.133 -2.758 1.00 0.00 C ATOM 335 O LEU A 25 7.346 8.654 -3.615 1.00 0.00 O ATOM 336 CB LEU A 25 6.058 6.909 -1.893 1.00 0.00 C ATOM 337 CG LEU A 25 5.389 6.033 -0.834 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.879 6.208 -0.872 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.763 4.572 -1.035 1.00 0.00 C ATOM 0 H LEU A 25 7.016 9.280 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 25 8.091 6.604 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.407 7.759 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.131 6.335 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 25 5.746 6.347 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.420 5.577 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.629 7.251 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.504 5.922 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.277 3.964 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.436 4.245 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.844 4.459 -0.955 1.00 0.00 H new ATOM 396 N VAL A 30 4.131 1.529 -4.826 1.00 0.00 N ATOM 397 CA VAL A 30 2.887 0.986 -5.358 1.00 0.00 C ATOM 398 C VAL A 30 1.677 1.688 -4.751 1.00 0.00 C ATOM 399 O VAL A 30 1.816 2.544 -3.877 1.00 0.00 O ATOM 400 CB VAL A 30 2.776 -0.527 -5.092 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.819 -1.289 -5.895 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.919 -0.818 -3.605 1.00 0.00 C ATOM 0 HA VAL A 30 2.901 1.158 -6.434 1.00 0.00 H new ATOM 0 HB VAL A 30 1.790 -0.863 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.725 -2.356 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.665 -1.105 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.816 -0.952 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.838 -1.892 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.891 -0.468 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.130 -0.303 -3.056 1.00 0.00 H new ATOM 412 N THR A 31 0.489 1.320 -5.221 1.00 0.00 N ATOM 413 CA THR A 31 -0.746 1.915 -4.726 1.00 0.00 C ATOM 414 C THR A 31 -1.837 0.862 -4.565 1.00 0.00 C ATOM 415 O THR A 31 -2.121 0.102 -5.491 1.00 0.00 O ATOM 416 CB THR A 31 -1.253 3.023 -5.668 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.359 3.706 -5.069 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.674 2.443 -7.009 1.00 0.00 C ATOM 0 H THR A 31 0.356 0.613 -5.944 1.00 0.00 H new ATOM 0 HA THR A 31 -0.519 2.351 -3.753 1.00 0.00 H new ATOM 0 HB THR A 31 -0.439 3.728 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.685 3.190 -4.302 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.028 3.245 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.822 1.949 -7.476 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.474 1.719 -6.857 1.00 0.00 H new ATOM 426 N TYR A 32 -2.445 0.824 -3.385 1.00 0.00 N ATOM 427 CA TYR A 32 -3.505 -0.137 -3.103 1.00 0.00 C ATOM 428 C TYR A 32 -4.810 0.575 -2.763 1.00 0.00 C ATOM 429 O TYR A 32 -4.873 1.362 -1.818 1.00 0.00 O ATOM 430 CB TYR A 32 -3.096 -1.055 -1.949 1.00 0.00 C ATOM 431 CG TYR A 32 -4.266 -1.721 -1.261 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.767 -2.933 -1.718 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.871 -1.137 -0.155 1.00 0.00 C ATOM 434 CE1 TYR A 32 -5.836 -3.546 -1.093 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.939 -1.743 0.477 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.419 -2.947 0.005 1.00 0.00 C ATOM 437 OH TYR A 32 -7.484 -3.552 0.630 1.00 0.00 O ATOM 0 H TYR A 32 -2.222 1.447 -2.609 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.663 -0.738 -3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.423 -1.824 -2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.536 -0.475 -1.215 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.313 -3.405 -2.577 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.500 -0.193 0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.213 -4.488 -1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.396 -1.276 1.337 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.776 -3.001 1.386 1.00 0.00 H new ATOM 447 N ARG A 33 -5.851 0.292 -3.539 1.00 0.00 N ATOM 448 CA ARG A 33 -7.156 0.905 -3.322 1.00 0.00 C ATOM 449 C ARG A 33 -7.081 2.419 -3.499 1.00 0.00 C ATOM 450 O ARG A 33 -7.461 3.177 -2.607 1.00 0.00 O ATOM 451 CB ARG A 33 -7.674 0.569 -1.922 1.00 0.00 C ATOM 452 CG ARG A 33 -8.239 -0.837 -1.803 1.00 0.00 C ATOM 453 CD ARG A 33 -8.951 -1.041 -0.475 1.00 0.00 C ATOM 454 NE ARG A 33 -9.826 -2.209 -0.497 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.112 -2.158 -0.827 1.00 0.00 C ATOM 456 NH1 ARG A 33 -11.668 -1.003 -1.163 1.00 0.00 N ATOM 457 NH2 ARG A 33 -11.843 -3.265 -0.824 1.00 0.00 N ATOM 0 H ARG A 33 -5.816 -0.358 -4.324 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.847 0.504 -4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.861 0.687 -1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.447 1.287 -1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.934 -1.021 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.432 -1.564 -1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.212 -1.156 0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.537 -0.153 -0.238 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.428 -3.114 -0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.108 -0.150 -1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.655 -0.967 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.418 -4.156 -0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.830 -3.225 -1.077 1.00 0.00 H new ATOM 471 N ASP A 34 -6.589 2.851 -4.655 1.00 0.00 N ATOM 472 CA ASP A 34 -6.465 4.273 -4.949 1.00 0.00 C ATOM 473 C ASP A 34 -5.706 4.994 -3.839 1.00 0.00 C ATOM 474 O ASP A 34 -6.039 6.123 -3.480 1.00 0.00 O ATOM 475 CB ASP A 34 -7.848 4.901 -5.129 1.00 0.00 C ATOM 476 CG ASP A 34 -7.785 6.259 -5.801 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.488 7.252 -5.105 1.00 0.00 O ATOM 478 OD2 ASP A 34 -8.032 6.327 -7.023 1.00 0.00 O ATOM 0 H ASP A 34 -6.270 2.236 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.903 4.379 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.472 4.234 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.327 5.003 -4.155 1.00 0.00 H new ATOM 483 N GLN A 35 -4.687 4.332 -3.300 1.00 0.00 N ATOM 484 CA GLN A 35 -3.883 4.910 -2.230 1.00 0.00 C ATOM 485 C GLN A 35 -2.447 4.400 -2.292 1.00 0.00 C ATOM 486 O GLN A 35 -2.187 3.244 -2.628 1.00 0.00 O ATOM 487 CB GLN A 35 -4.495 4.579 -0.868 1.00 0.00 C ATOM 488 CG GLN A 35 -5.816 5.285 -0.607 1.00 0.00 C ATOM 489 CD GLN A 35 -6.221 5.244 0.854 1.00 0.00 C ATOM 490 OE1 GLN A 35 -7.264 4.692 1.205 1.00 0.00 O ATOM 491 NE2 GLN A 35 -5.396 5.829 1.714 1.00 0.00 N ATOM 0 H GLN A 35 -4.399 3.396 -3.586 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.871 5.992 -2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.648 3.502 -0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.787 4.850 -0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.739 6.323 -0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.597 4.821 -1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.542 6.275 1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.616 5.833 2.710 1.00 0.00 H new ATOM 500 N PRO A 36 -1.491 5.281 -1.962 1.00 0.00 N ATOM 501 CA PRO A 36 -0.065 4.942 -1.973 1.00 0.00 C ATOM 502 C PRO A 36 0.309 3.971 -0.859 1.00 0.00 C ATOM 503 O PRO A 36 -0.002 4.202 0.309 1.00 0.00 O ATOM 504 CB PRO A 36 0.622 6.293 -1.757 1.00 0.00 C ATOM 505 CG PRO A 36 -0.387 7.121 -1.040 1.00 0.00 C ATOM 506 CD PRO A 36 -1.729 6.675 -1.552 1.00 0.00 C ATOM 0 HA PRO A 36 0.228 4.442 -2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.534 6.184 -1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.906 6.749 -2.706 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.314 6.978 0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.229 8.182 -1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.496 6.742 -0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.064 7.288 -2.388 1.00 0.00 H new ATOM 514 N TRP A 37 0.978 2.884 -1.228 1.00 0.00 N ATOM 515 CA TRP A 37 1.394 1.877 -0.258 1.00 0.00 C ATOM 516 C TRP A 37 2.858 1.502 -0.458 1.00 0.00 C ATOM 517 O TRP A 37 3.369 1.530 -1.578 1.00 0.00 O ATOM 518 CB TRP A 37 0.515 0.631 -0.377 1.00 0.00 C ATOM 519 CG TRP A 37 -0.770 0.736 0.387 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.844 1.522 0.081 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.114 0.032 1.586 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.835 1.349 1.017 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.413 0.439 1.950 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.453 -0.905 2.385 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.059 -0.057 3.079 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.096 -1.396 3.505 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.388 -0.973 3.843 1.00 0.00 C ATOM 0 H TRP A 37 1.244 2.678 -2.191 1.00 0.00 H new ATOM 0 HA TRP A 37 1.279 2.300 0.740 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.291 0.452 -1.429 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.073 -0.234 -0.019 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.905 2.182 -0.771 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.739 1.822 1.017 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.542 -1.239 2.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.054 0.269 3.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.594 -2.119 4.131 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.864 -1.378 4.724 1.00 0.00 H new ATOM 538 N HIS A 38 3.529 1.151 0.635 1.00 0.00 N ATOM 539 CA HIS A 38 4.936 0.770 0.579 1.00 0.00 C ATOM 540 C HIS A 38 5.096 -0.630 -0.007 1.00 0.00 C ATOM 541 O HIS A 38 4.572 -1.604 0.534 1.00 0.00 O ATOM 542 CB HIS A 38 5.557 0.825 1.975 1.00 0.00 C ATOM 543 CG HIS A 38 6.130 2.164 2.323 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.098 2.688 3.598 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.753 3.088 1.554 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.675 3.876 3.599 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.082 4.142 2.370 1.00 0.00 N ATOM 0 H HIS A 38 3.121 1.123 1.570 1.00 0.00 H new ATOM 0 HA HIS A 38 5.454 1.478 -0.069 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.798 0.561 2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.343 0.073 2.044 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.954 3.010 0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.794 4.520 4.458 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.562 4.992 2.076 1.00 0.00 H new ATOM 555 N ARG A 39 5.822 -0.722 -1.116 1.00 0.00 N ATOM 556 CA ARG A 39 6.049 -2.002 -1.777 1.00 0.00 C ATOM 557 C ARG A 39 6.214 -3.120 -0.752 1.00 0.00 C ATOM 558 O ARG A 39 5.680 -4.216 -0.924 1.00 0.00 O ATOM 559 CB ARG A 39 7.290 -1.926 -2.669 1.00 0.00 C ATOM 560 CG ARG A 39 7.004 -1.403 -4.067 1.00 0.00 C ATOM 561 CD ARG A 39 6.657 -2.532 -5.024 1.00 0.00 C ATOM 562 NE ARG A 39 7.831 -3.321 -5.388 1.00 0.00 N ATOM 563 CZ ARG A 39 8.658 -2.996 -6.375 1.00 0.00 C ATOM 564 NH1 ARG A 39 8.440 -1.903 -7.094 1.00 0.00 N ATOM 565 NH2 ARG A 39 9.705 -3.765 -6.646 1.00 0.00 N ATOM 0 H ARG A 39 6.263 0.074 -1.576 1.00 0.00 H new ATOM 0 HA ARG A 39 5.179 -2.224 -2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.030 -1.282 -2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.734 -2.919 -2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.180 -0.691 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.874 -0.863 -4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.912 -3.181 -4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.205 -2.117 -5.925 1.00 0.00 H new ATOM 0 HE ARG A 39 8.026 -4.168 -4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.636 -1.310 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.077 -1.655 -7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.875 -4.607 -6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.339 -3.514 -7.404 1.00 0.00 H new ATOM 579 N GLU A 40 6.957 -2.836 0.313 1.00 0.00 N ATOM 580 CA GLU A 40 7.192 -3.819 1.364 1.00 0.00 C ATOM 581 C GLU A 40 5.940 -4.018 2.213 1.00 0.00 C ATOM 582 O GLU A 40 5.540 -5.148 2.494 1.00 0.00 O ATOM 583 CB GLU A 40 8.359 -3.380 2.251 1.00 0.00 C ATOM 584 CG GLU A 40 8.164 -2.011 2.881 1.00 0.00 C ATOM 585 CD GLU A 40 9.475 -1.359 3.277 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.354 -2.070 3.808 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.622 -0.139 3.056 1.00 0.00 O ATOM 0 H GLU A 40 7.406 -1.934 0.471 1.00 0.00 H new ATOM 0 HA GLU A 40 7.442 -4.768 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.501 -4.117 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.272 -3.370 1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.638 -1.364 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.530 -2.108 3.762 1.00 0.00 H new ATOM 594 N CYS A 41 5.327 -2.912 2.620 1.00 0.00 N ATOM 595 CA CYS A 41 4.121 -2.962 3.438 1.00 0.00 C ATOM 596 C CYS A 41 3.015 -3.740 2.730 1.00 0.00 C ATOM 597 O CYS A 41 2.457 -4.689 3.282 1.00 0.00 O ATOM 598 CB CYS A 41 3.638 -1.547 3.760 1.00 0.00 C ATOM 599 SG CYS A 41 4.662 -0.673 4.987 1.00 0.00 S ATOM 0 H CYS A 41 5.646 -1.969 2.397 1.00 0.00 H new ATOM 0 HA CYS A 41 4.365 -3.476 4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.616 -0.964 2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.614 -1.599 4.129 1.00 0.00 H new ATOM 0 HG CYS A 41 3.998 0.336 5.467 1.00 0.00 H new ATOM 604 N LEU A 42 2.704 -3.331 1.505 1.00 0.00 N ATOM 605 CA LEU A 42 1.665 -3.989 0.720 1.00 0.00 C ATOM 606 C LEU A 42 1.841 -5.504 0.745 1.00 0.00 C ATOM 607 O LEU A 42 2.577 -6.068 -0.064 1.00 0.00 O ATOM 608 CB LEU A 42 1.694 -3.485 -0.724 1.00 0.00 C ATOM 609 CG LEU A 42 0.649 -4.086 -1.665 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.756 -3.786 -1.165 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.837 -3.555 -3.079 1.00 0.00 C ATOM 0 H LEU A 42 3.156 -2.547 1.034 1.00 0.00 H new ATOM 0 HA LEU A 42 0.700 -3.746 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.564 -2.403 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.683 -3.683 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 42 0.783 -5.168 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.486 -4.222 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.888 -4.214 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.903 -2.707 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.085 -3.993 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.730 -2.470 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.831 -3.821 -3.438 1.00 0.00 H new ATOM 623 N VAL A 43 1.158 -6.158 1.679 1.00 0.00 N ATOM 624 CA VAL A 43 1.235 -7.609 1.808 1.00 0.00 C ATOM 625 C VAL A 43 -0.111 -8.196 2.218 1.00 0.00 C ATOM 626 O VAL A 43 -0.941 -7.515 2.821 1.00 0.00 O ATOM 627 CB VAL A 43 2.300 -8.024 2.840 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.654 -7.434 2.477 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.882 -7.597 4.239 1.00 0.00 C ATOM 0 H VAL A 43 0.545 -5.706 2.358 1.00 0.00 H new ATOM 0 HA VAL A 43 1.516 -8.000 0.830 1.00 0.00 H new ATOM 0 HB VAL A 43 2.388 -9.110 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.394 -7.738 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.956 -7.794 1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.584 -6.346 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.646 -7.899 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.764 -6.514 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.936 -8.072 4.497 1.00 0.00 H new ATOM 639 N CYS A 44 -0.320 -9.466 1.888 1.00 0.00 N ATOM 640 CA CYS A 44 -1.565 -10.148 2.222 1.00 0.00 C ATOM 641 C CYS A 44 -1.877 -10.014 3.710 1.00 0.00 C ATOM 642 O CYS A 44 -0.973 -9.983 4.545 1.00 0.00 O ATOM 643 CB CYS A 44 -1.480 -11.627 1.838 1.00 0.00 C ATOM 644 SG CYS A 44 -2.988 -12.579 2.210 1.00 0.00 S ATOM 0 H CYS A 44 0.357 -10.044 1.390 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.370 -9.679 1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.269 -11.703 0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.639 -12.080 2.362 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.949 -11.763 2.528 1.00 0.00 H new ATOM 649 N THR A 45 -3.164 -9.936 4.034 1.00 0.00 N ATOM 650 CA THR A 45 -3.596 -9.805 5.420 1.00 0.00 C ATOM 651 C THR A 45 -3.817 -11.171 6.059 1.00 0.00 C ATOM 652 O THR A 45 -4.531 -11.294 7.053 1.00 0.00 O ATOM 653 CB THR A 45 -4.894 -8.983 5.529 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.833 -7.852 4.653 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.120 -8.513 6.958 1.00 0.00 C ATOM 0 H THR A 45 -3.925 -9.961 3.355 1.00 0.00 H new ATOM 0 HA THR A 45 -2.799 -9.284 5.951 1.00 0.00 H new ATOM 0 HB THR A 45 -5.728 -9.622 5.238 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.891 -8.155 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.043 -7.935 7.009 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.196 -9.377 7.618 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.283 -7.889 7.273 1.00 0.00 H new ATOM 663 N GLY A 46 -3.200 -12.197 5.480 1.00 0.00 N ATOM 664 CA GLY A 46 -3.342 -13.541 6.007 1.00 0.00 C ATOM 665 C GLY A 46 -2.018 -14.276 6.086 1.00 0.00 C ATOM 666 O GLY A 46 -1.641 -14.779 7.145 1.00 0.00 O ATOM 0 H GLY A 46 -2.604 -12.121 4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.787 -13.493 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.030 -14.104 5.376 1.00 0.00 H new ATOM 670 N CYS A 47 -1.311 -14.341 4.963 1.00 0.00 N ATOM 671 CA CYS A 47 -0.023 -15.021 4.908 1.00 0.00 C ATOM 672 C CYS A 47 1.125 -14.017 4.950 1.00 0.00 C ATOM 673 O CYS A 47 2.287 -14.394 5.099 1.00 0.00 O ATOM 674 CB CYS A 47 0.074 -15.872 3.640 1.00 0.00 C ATOM 675 SG CYS A 47 -0.158 -14.934 2.096 1.00 0.00 S ATOM 0 H CYS A 47 -1.609 -13.931 4.078 1.00 0.00 H new ATOM 0 HA CYS A 47 0.055 -15.670 5.780 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.050 -16.357 3.615 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.674 -16.663 3.688 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.235 -14.211 2.185 1.00 0.00 H new ATOM 680 N GLN A 48 0.790 -12.738 4.816 1.00 0.00 N ATOM 681 CA GLN A 48 1.792 -11.679 4.838 1.00 0.00 C ATOM 682 C GLN A 48 2.747 -11.810 3.656 1.00 0.00 C ATOM 683 O GLN A 48 3.966 -11.843 3.829 1.00 0.00 O ATOM 684 CB GLN A 48 2.578 -11.719 6.150 1.00 0.00 C ATOM 685 CG GLN A 48 1.723 -11.457 7.379 1.00 0.00 C ATOM 686 CD GLN A 48 1.416 -9.985 7.574 1.00 0.00 C ATOM 687 OE1 GLN A 48 2.103 -9.289 8.323 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.380 -9.501 6.898 1.00 0.00 N ATOM 0 H GLN A 48 -0.168 -12.410 4.691 1.00 0.00 H new ATOM 0 HA GLN A 48 1.275 -10.722 4.761 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.053 -12.695 6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.376 -10.978 6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.788 -12.011 7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.237 -11.837 8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.162 -10.113 6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.127 -8.517 6.989 1.00 0.00 H new ATOM 697 N THR A 49 2.186 -11.884 2.453 1.00 0.00 N ATOM 698 CA THR A 49 2.986 -12.012 1.242 1.00 0.00 C ATOM 699 C THR A 49 2.907 -10.748 0.394 1.00 0.00 C ATOM 700 O THR A 49 1.854 -10.123 0.265 1.00 0.00 O ATOM 701 CB THR A 49 2.533 -13.215 0.394 1.00 0.00 C ATOM 702 OG1 THR A 49 3.559 -13.570 -0.540 1.00 0.00 O ATOM 703 CG2 THR A 49 1.247 -12.897 -0.353 1.00 0.00 C ATOM 0 H THR A 49 1.179 -11.857 2.292 1.00 0.00 H new ATOM 0 HA THR A 49 4.017 -12.169 1.560 1.00 0.00 H new ATOM 0 HB THR A 49 2.346 -14.054 1.064 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.264 -14.337 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.947 -13.762 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.461 -12.656 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.411 -12.045 -1.013 1.00 0.00 H new ATOM 711 N PRO A 50 4.045 -10.361 -0.200 1.00 0.00 N ATOM 712 CA PRO A 50 4.130 -9.168 -1.048 1.00 0.00 C ATOM 713 C PRO A 50 3.385 -9.341 -2.367 1.00 0.00 C ATOM 714 O PRO A 50 3.810 -10.102 -3.237 1.00 0.00 O ATOM 715 CB PRO A 50 5.632 -9.016 -1.298 1.00 0.00 C ATOM 716 CG PRO A 50 6.184 -10.391 -1.140 1.00 0.00 C ATOM 717 CD PRO A 50 5.338 -11.058 -0.090 1.00 0.00 C ATOM 0 HA PRO A 50 3.673 -8.299 -0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.829 -8.622 -2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.084 -8.324 -0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.142 -10.939 -2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.230 -10.359 -0.836 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.235 -12.127 -0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.771 -10.948 0.904 1.00 0.00 H new ATOM 725 N LEU A 51 2.272 -8.630 -2.511 1.00 0.00 N ATOM 726 CA LEU A 51 1.468 -8.704 -3.725 1.00 0.00 C ATOM 727 C LEU A 51 1.942 -7.685 -4.756 1.00 0.00 C ATOM 728 O LEU A 51 1.248 -7.407 -5.734 1.00 0.00 O ATOM 729 CB LEU A 51 -0.008 -8.467 -3.399 1.00 0.00 C ATOM 730 CG LEU A 51 -0.551 -9.203 -2.174 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.652 -8.392 -1.508 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.064 -10.582 -2.564 1.00 0.00 C ATOM 0 H LEU A 51 1.906 -7.995 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 51 1.585 -9.702 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.160 -7.398 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.602 -8.758 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 51 0.263 -9.328 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.026 -8.932 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.254 -7.428 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.466 -8.235 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.447 -11.091 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.863 -10.479 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.250 -11.165 -2.994 1.00 0.00 H new ATOM 744 N ALA A 52 3.130 -7.133 -4.532 1.00 0.00 N ATOM 745 CA ALA A 52 3.700 -6.149 -5.443 1.00 0.00 C ATOM 746 C ALA A 52 3.537 -6.585 -6.895 1.00 0.00 C ATOM 747 O ALA A 52 4.305 -7.405 -7.397 1.00 0.00 O ATOM 748 CB ALA A 52 5.169 -5.919 -5.120 1.00 0.00 C ATOM 0 H ALA A 52 3.717 -7.351 -3.727 1.00 0.00 H new ATOM 0 HA ALA A 52 3.159 -5.212 -5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.582 -5.182 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.264 -5.554 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.715 -6.857 -5.222 1.00 0.00 H new ATOM 754 N GLY A 53 2.530 -6.032 -7.565 1.00 0.00 N ATOM 755 CA GLY A 53 2.285 -6.378 -8.953 1.00 0.00 C ATOM 756 C GLY A 53 1.852 -7.821 -9.123 1.00 0.00 C ATOM 757 O GLY A 53 2.234 -8.479 -10.090 1.00 0.00 O ATOM 0 H GLY A 53 1.880 -5.351 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.515 -5.721 -9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.191 -6.203 -9.533 1.00 0.00 H new ATOM 761 N GLN A 54 1.056 -8.314 -8.180 1.00 0.00 N ATOM 762 CA GLN A 54 0.574 -9.689 -8.229 1.00 0.00 C ATOM 763 C GLN A 54 -0.948 -9.729 -8.320 1.00 0.00 C ATOM 764 O GLN A 54 -1.628 -8.784 -7.920 1.00 0.00 O ATOM 765 CB GLN A 54 1.044 -10.461 -6.996 1.00 0.00 C ATOM 766 CG GLN A 54 0.400 -11.831 -6.854 1.00 0.00 C ATOM 767 CD GLN A 54 1.193 -12.758 -5.953 1.00 0.00 C ATOM 768 OE1 GLN A 54 0.664 -13.303 -4.984 1.00 0.00 O ATOM 769 NE2 GLN A 54 2.470 -12.941 -6.268 1.00 0.00 N ATOM 0 H GLN A 54 0.731 -7.782 -7.373 1.00 0.00 H new ATOM 0 HA GLN A 54 0.986 -10.160 -9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.126 -10.581 -7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.827 -9.873 -6.105 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.607 -11.715 -6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.301 -12.286 -7.840 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.868 -12.469 -7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.053 -13.553 -5.698 1.00 0.00 H new ATOM 778 N GLN A 55 -1.475 -10.829 -8.848 1.00 0.00 N ATOM 779 CA GLN A 55 -2.917 -10.991 -8.992 1.00 0.00 C ATOM 780 C GLN A 55 -3.563 -11.330 -7.652 1.00 0.00 C ATOM 781 O GLN A 55 -3.414 -12.440 -7.142 1.00 0.00 O ATOM 782 CB GLN A 55 -3.230 -12.087 -10.013 1.00 0.00 C ATOM 783 CG GLN A 55 -4.558 -11.893 -10.726 1.00 0.00 C ATOM 784 CD GLN A 55 -4.944 -13.088 -11.575 1.00 0.00 C ATOM 785 OE1 GLN A 55 -4.095 -13.714 -12.209 1.00 0.00 O ATOM 786 NE2 GLN A 55 -6.232 -13.412 -11.591 1.00 0.00 N ATOM 0 H GLN A 55 -0.926 -11.621 -9.183 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.329 -10.046 -9.346 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.431 -12.121 -10.754 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.237 -13.052 -9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.339 -11.709 -9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.501 -11.006 -11.358 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.902 -12.865 -11.050 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.551 -14.207 -12.144 1.00 0.00 H new ATOM 795 N PHE A 56 -4.281 -10.365 -7.087 1.00 0.00 N ATOM 796 CA PHE A 56 -4.949 -10.560 -5.805 1.00 0.00 C ATOM 797 C PHE A 56 -6.253 -9.770 -5.746 1.00 0.00 C ATOM 798 O PHE A 56 -6.620 -9.081 -6.698 1.00 0.00 O ATOM 799 CB PHE A 56 -4.030 -10.136 -4.657 1.00 0.00 C ATOM 800 CG PHE A 56 -3.799 -8.653 -4.591 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.696 -7.828 -3.932 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.685 -8.085 -5.187 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.485 -6.463 -3.870 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.469 -6.721 -5.128 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.370 -5.909 -4.468 1.00 0.00 C ATOM 0 H PHE A 56 -4.415 -9.440 -7.496 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.182 -11.620 -5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.462 -10.471 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.070 -10.641 -4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.569 -8.256 -3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.977 -8.715 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.192 -5.830 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.597 -6.291 -5.598 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.203 -4.843 -4.419 1.00 0.00 H new ATOM 815 N THR A 57 -6.951 -9.875 -4.619 1.00 0.00 N ATOM 816 CA THR A 57 -8.215 -9.173 -4.434 1.00 0.00 C ATOM 817 C THR A 57 -8.316 -8.582 -3.033 1.00 0.00 C ATOM 818 O THR A 57 -7.618 -9.013 -2.115 1.00 0.00 O ATOM 819 CB THR A 57 -9.417 -10.107 -4.674 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.641 -9.386 -4.495 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.377 -11.294 -3.722 1.00 0.00 C ATOM 0 H THR A 57 -6.662 -10.440 -3.820 1.00 0.00 H new ATOM 0 HA THR A 57 -8.239 -8.367 -5.167 1.00 0.00 H new ATOM 0 HB THR A 57 -9.362 -10.479 -5.697 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.400 -9.986 -4.651 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.235 -11.940 -3.909 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.457 -11.857 -3.881 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.410 -10.936 -2.693 1.00 0.00 H new ATOM 829 N SER A 58 -9.191 -7.594 -2.874 1.00 0.00 N ATOM 830 CA SER A 58 -9.381 -6.941 -1.584 1.00 0.00 C ATOM 831 C SER A 58 -10.708 -7.356 -0.956 1.00 0.00 C ATOM 832 O SER A 58 -11.714 -7.508 -1.649 1.00 0.00 O ATOM 833 CB SER A 58 -9.333 -5.421 -1.745 1.00 0.00 C ATOM 834 OG SER A 58 -8.181 -5.021 -2.467 1.00 0.00 O ATOM 0 H SER A 58 -9.780 -7.228 -3.622 1.00 0.00 H new ATOM 0 HA SER A 58 -8.572 -7.254 -0.924 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.228 -5.079 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.333 -4.948 -0.763 1.00 0.00 H new ATOM 0 HG SER A 58 -7.696 -4.339 -1.957 1.00 0.00 H new ATOM 840 N ARG A 59 -10.701 -7.537 0.361 1.00 0.00 N ATOM 841 CA ARG A 59 -11.904 -7.935 1.083 1.00 0.00 C ATOM 842 C ARG A 59 -12.011 -7.192 2.411 1.00 0.00 C ATOM 843 O ARG A 59 -11.046 -7.114 3.171 1.00 0.00 O ATOM 844 CB ARG A 59 -11.899 -9.445 1.331 1.00 0.00 C ATOM 845 CG ARG A 59 -13.224 -9.981 1.847 1.00 0.00 C ATOM 846 CD ARG A 59 -14.290 -9.970 0.763 1.00 0.00 C ATOM 847 NE ARG A 59 -15.625 -10.207 1.305 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.743 -9.807 0.709 1.00 0.00 C ATOM 849 NH1 ARG A 59 -16.685 -9.154 -0.444 1.00 0.00 N ATOM 850 NH2 ARG A 59 -17.920 -10.060 1.265 1.00 0.00 N ATOM 0 H ARG A 59 -9.877 -7.415 0.949 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.768 -7.677 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.647 -9.956 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.115 -9.684 2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.088 -10.998 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.557 -9.379 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.273 -9.009 0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.060 -10.734 0.020 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.704 -10.707 2.190 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.781 -8.958 -0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.544 -8.848 -0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.968 -10.562 2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.777 -9.752 0.806 1.00 0.00 H new ATOM 864 N ASP A 60 -13.192 -6.646 2.683 1.00 0.00 N ATOM 865 CA ASP A 60 -13.426 -5.909 3.919 1.00 0.00 C ATOM 866 C ASP A 60 -12.344 -4.855 4.137 1.00 0.00 C ATOM 867 O ASP A 60 -11.898 -4.635 5.263 1.00 0.00 O ATOM 868 CB ASP A 60 -13.469 -6.868 5.110 1.00 0.00 C ATOM 869 CG ASP A 60 -14.598 -7.874 5.002 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.606 -7.566 4.332 1.00 0.00 O ATOM 871 OD2 ASP A 60 -14.473 -8.970 5.588 1.00 0.00 O ATOM 0 H ASP A 60 -14.001 -6.700 2.064 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.388 -5.404 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.519 -7.398 5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.583 -6.295 6.030 1.00 0.00 H new ATOM 876 N GLU A 61 -11.927 -4.210 3.053 1.00 0.00 N ATOM 877 CA GLU A 61 -10.895 -3.182 3.127 1.00 0.00 C ATOM 878 C GLU A 61 -9.557 -3.782 3.546 1.00 0.00 C ATOM 879 O GLU A 61 -8.864 -3.241 4.407 1.00 0.00 O ATOM 880 CB GLU A 61 -11.306 -2.086 4.113 1.00 0.00 C ATOM 881 CG GLU A 61 -12.655 -1.461 3.801 1.00 0.00 C ATOM 882 CD GLU A 61 -12.743 -0.013 4.242 1.00 0.00 C ATOM 883 OE1 GLU A 61 -12.695 0.240 5.464 1.00 0.00 O ATOM 884 OE2 GLU A 61 -12.859 0.868 3.365 1.00 0.00 O ATOM 0 H GLU A 61 -12.287 -4.380 2.114 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.782 -2.745 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.333 -2.505 5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.545 -1.306 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.840 -1.522 2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.440 -2.035 4.293 1.00 0.00 H new ATOM 891 N ASP A 62 -9.200 -4.904 2.930 1.00 0.00 N ATOM 892 CA ASP A 62 -7.945 -5.580 3.238 1.00 0.00 C ATOM 893 C ASP A 62 -7.457 -6.391 2.042 1.00 0.00 C ATOM 894 O ASP A 62 -8.185 -7.207 1.476 1.00 0.00 O ATOM 895 CB ASP A 62 -8.116 -6.492 4.453 1.00 0.00 C ATOM 896 CG ASP A 62 -8.003 -5.738 5.764 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.048 -4.948 5.913 1.00 0.00 O ATOM 898 OD2 ASP A 62 -8.871 -5.938 6.639 1.00 0.00 O ATOM 0 H ASP A 62 -9.762 -5.365 2.214 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.199 -4.820 3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.088 -6.982 4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.361 -7.278 4.423 1.00 0.00 H new ATOM 903 N PRO A 63 -6.196 -6.164 1.646 1.00 0.00 N ATOM 904 CA PRO A 63 -5.583 -6.863 0.513 1.00 0.00 C ATOM 905 C PRO A 63 -5.327 -8.337 0.812 1.00 0.00 C ATOM 906 O PRO A 63 -4.513 -8.673 1.673 1.00 0.00 O ATOM 907 CB PRO A 63 -4.260 -6.121 0.312 1.00 0.00 C ATOM 908 CG PRO A 63 -3.946 -5.536 1.646 1.00 0.00 C ATOM 909 CD PRO A 63 -5.271 -5.205 2.275 1.00 0.00 C ATOM 0 HA PRO A 63 -6.228 -6.858 -0.366 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.473 -6.798 -0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.353 -5.345 -0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.388 -6.243 2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.328 -4.644 1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.243 -5.325 3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.564 -4.174 2.076 1.00 0.00 H new ATOM 917 N TYR A 64 -6.026 -9.210 0.096 1.00 0.00 N ATOM 918 CA TYR A 64 -5.875 -10.648 0.286 1.00 0.00 C ATOM 919 C TYR A 64 -5.452 -11.328 -1.012 1.00 0.00 C ATOM 920 O TYR A 64 -6.020 -11.074 -2.074 1.00 0.00 O ATOM 921 CB TYR A 64 -7.184 -11.257 0.790 1.00 0.00 C ATOM 922 CG TYR A 64 -7.439 -11.013 2.261 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.772 -11.748 3.233 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.347 -10.047 2.677 1.00 0.00 C ATOM 925 CE1 TYR A 64 -7.003 -11.528 4.577 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.582 -9.819 4.019 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.908 -10.563 4.965 1.00 0.00 C ATOM 928 OH TYR A 64 -8.140 -10.340 6.304 1.00 0.00 O ATOM 0 H TYR A 64 -6.702 -8.948 -0.621 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.096 -10.810 1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.012 -10.845 0.213 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.170 -12.331 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.061 -12.504 2.933 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.878 -9.465 1.939 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.477 -12.109 5.320 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.289 -9.063 4.326 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.804 -9.627 6.407 1.00 0.00 H new ATOM 938 N CYS A 65 -4.449 -12.195 -0.919 1.00 0.00 N ATOM 939 CA CYS A 65 -3.947 -12.913 -2.084 1.00 0.00 C ATOM 940 C CYS A 65 -4.890 -14.050 -2.470 1.00 0.00 C ATOM 941 O CYS A 65 -5.602 -14.594 -1.626 1.00 0.00 O ATOM 942 CB CYS A 65 -2.549 -13.468 -1.805 1.00 0.00 C ATOM 943 SG CYS A 65 -2.544 -15.052 -0.904 1.00 0.00 S ATOM 0 H CYS A 65 -3.968 -12.417 -0.048 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.892 -12.211 -2.916 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.026 -13.599 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.986 -12.733 -1.230 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.709 -14.983 0.090 1.00 0.00 H new ATOM 948 N VAL A 66 -4.889 -14.403 -3.751 1.00 0.00 N ATOM 949 CA VAL A 66 -5.742 -15.475 -4.250 1.00 0.00 C ATOM 950 C VAL A 66 -5.660 -16.705 -3.352 1.00 0.00 C ATOM 951 O VAL A 66 -6.655 -17.396 -3.138 1.00 0.00 O ATOM 952 CB VAL A 66 -5.358 -15.876 -5.686 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.259 -16.994 -6.188 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.425 -14.671 -6.612 1.00 0.00 C ATOM 0 H VAL A 66 -4.307 -13.962 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.763 -15.094 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.332 -16.244 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.972 -17.264 -7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.156 -17.864 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.296 -16.657 -6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.150 -14.973 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.439 -14.271 -6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.734 -13.904 -6.262 1.00 0.00 H new ATOM 964 N ALA A 67 -4.468 -16.970 -2.828 1.00 0.00 N ATOM 965 CA ALA A 67 -4.257 -18.115 -1.951 1.00 0.00 C ATOM 966 C ALA A 67 -5.106 -18.004 -0.689 1.00 0.00 C ATOM 967 O ALA A 67 -5.613 -19.003 -0.179 1.00 0.00 O ATOM 968 CB ALA A 67 -2.784 -18.238 -1.589 1.00 0.00 C ATOM 0 H ALA A 67 -3.634 -16.407 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.565 -19.013 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.641 -19.097 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.196 -18.372 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.458 -17.333 -1.077 1.00 0.00 H new ATOM 974 N CYS A 68 -5.257 -16.782 -0.189 1.00 0.00 N ATOM 975 CA CYS A 68 -6.043 -16.539 1.014 1.00 0.00 C ATOM 976 C CYS A 68 -7.523 -16.388 0.675 1.00 0.00 C ATOM 977 O CYS A 68 -8.383 -16.992 1.318 1.00 0.00 O ATOM 978 CB CYS A 68 -5.542 -15.283 1.731 1.00 0.00 C ATOM 979 SG CYS A 68 -4.056 -15.552 2.750 1.00 0.00 S ATOM 0 H CYS A 68 -4.845 -15.944 -0.599 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.925 -17.398 1.675 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.326 -14.515 0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.340 -14.897 2.366 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.322 -14.479 2.739 1.00 0.00 H new ATOM 984 N PHE A 69 -7.813 -15.579 -0.338 1.00 0.00 N ATOM 985 CA PHE A 69 -9.189 -15.348 -0.763 1.00 0.00 C ATOM 986 C PHE A 69 -9.938 -16.668 -0.923 1.00 0.00 C ATOM 987 O PHE A 69 -11.046 -16.832 -0.414 1.00 0.00 O ATOM 988 CB PHE A 69 -9.215 -14.571 -2.080 1.00 0.00 C ATOM 989 CG PHE A 69 -10.600 -14.340 -2.613 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.422 -13.376 -2.050 1.00 0.00 C ATOM 991 CD2 PHE A 69 -11.081 -15.086 -3.676 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.697 -13.161 -2.537 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.355 -14.875 -4.169 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.164 -13.912 -3.598 1.00 0.00 C ATOM 0 H PHE A 69 -7.114 -15.072 -0.880 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.687 -14.759 0.008 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.725 -13.608 -1.934 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.634 -15.115 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.061 -12.786 -1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.453 -15.841 -4.125 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.327 -12.407 -2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.717 -15.462 -5.000 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.160 -13.746 -3.981 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.323 -17.607 -1.636 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.945 -18.901 -1.851 1.00 0.00 C ATOM 1006 C GLY A 70 -9.551 -19.917 -0.798 1.00 0.00 C ATOM 1007 O GLY A 70 -9.520 -21.117 -1.067 1.00 0.00 O ATOM 0 H GLY A 70 -8.406 -17.495 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.029 -18.784 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.665 -19.276 -2.836 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.247 -19.435 0.403 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.850 -20.311 1.499 1.00 0.00 C ATOM 1013 C GLU A 71 -9.565 -19.925 2.790 1.00 0.00 C ATOM 1014 O GLU A 71 -9.957 -20.787 3.578 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.335 -20.253 1.705 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.857 -21.016 2.928 1.00 0.00 C ATOM 1017 CD GLU A 71 -6.701 -22.501 2.665 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -7.372 -23.014 1.746 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -5.908 -23.150 3.379 1.00 0.00 O ATOM 0 H GLU A 71 -9.268 -18.444 0.642 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.135 -21.330 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.841 -20.655 0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.029 -19.211 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.902 -20.607 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.565 -20.868 3.744 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.731 -18.624 3.002 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.399 -18.122 4.198 1.00 0.00 C ATOM 1028 C LEU A 72 -11.902 -18.000 3.972 1.00 0.00 C ATOM 1029 O LEU A 72 -12.698 -18.640 4.660 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.819 -16.764 4.597 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.475 -16.795 5.324 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.364 -17.218 4.375 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.168 -15.437 5.937 1.00 0.00 C ATOM 0 H LEU A 72 -9.412 -17.897 2.361 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.229 -18.834 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.708 -16.160 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.542 -16.256 5.235 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.536 -17.528 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.415 -17.234 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.578 -18.213 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.302 -16.510 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.207 -15.478 6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.127 -14.684 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.949 -15.175 6.650 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.284 -17.176 3.002 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.693 -16.971 2.684 1.00 0.00 C ATOM 1047 C PHE A 73 -14.278 -18.197 1.990 1.00 0.00 C ATOM 1048 O PHE A 73 -15.395 -18.618 2.287 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.862 -15.738 1.793 1.00 0.00 C ATOM 1050 CG PHE A 73 -12.967 -14.594 2.177 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.134 -13.942 3.388 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.958 -14.172 1.326 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.312 -12.889 3.742 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.132 -13.119 1.676 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.309 -12.478 2.886 1.00 0.00 C ATOM 0 H PHE A 73 -11.638 -16.639 2.423 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.231 -16.813 3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.659 -16.016 0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.900 -15.408 1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -13.915 -14.260 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.815 -14.671 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.454 -12.387 4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.350 -12.799 1.004 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.664 -11.657 3.163 1.00 0.00 H new