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 168:sc= 2.33 USER MOD Set 1.2: A 47 CYS SG : rot -41:sc= -2.13 USER MOD Set 1.3: A 65 CYS SG : rot -131:sc= -3.42! USER MOD Set 1.4: A 68 CYS SG : rot 162:sc= 1.02 USER MOD Set 2.1: A 18 CYS SG : rot 30:sc= -0.666 USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0.052 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -4.51 K(o=-6.1,f=-7.5!) USER MOD Set 2.4: A 41 CYS SG : rot -169:sc= -0.934 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 -5:sc= -0.0863! USER MOD Single : A 32 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 70:sc= 0.0982 USER MOD Single : A 48 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.13) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.978 USER MOD Single : A 54 GLN : amide:sc= -0.844 K(o=-0.84,f=-6.4!) USER MOD Single : A 55 GLN : amide:sc=-0.00518 X(o=-0.0052,f=-0.14) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 58 SER OG : rot -106:sc= 0.14 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 3.607 11.340 -2.739 1.00 0.00 N ATOM 194 CA PRO A 16 2.705 10.432 -2.025 1.00 0.00 C ATOM 195 C PRO A 16 3.374 9.778 -0.820 1.00 0.00 C ATOM 196 O PRO A 16 4.598 9.660 -0.766 1.00 0.00 O ATOM 197 CB PRO A 16 2.355 9.378 -3.078 1.00 0.00 C ATOM 198 CG PRO A 16 3.505 9.393 -4.026 1.00 0.00 C ATOM 199 CD PRO A 16 3.995 10.814 -4.059 1.00 0.00 C ATOM 0 HA PRO A 16 1.838 10.955 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.227 8.394 -2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.421 9.620 -3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.293 8.716 -3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.197 9.063 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.073 10.864 -4.210 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.533 11.380 -4.868 1.00 0.00 H new ATOM 207 N ARG A 17 2.563 9.356 0.144 1.00 0.00 N ATOM 208 CA ARG A 17 3.077 8.715 1.349 1.00 0.00 C ATOM 209 C ARG A 17 2.328 7.418 1.637 1.00 0.00 C ATOM 210 O ARG A 17 1.114 7.333 1.445 1.00 0.00 O ATOM 211 CB ARG A 17 2.959 9.661 2.545 1.00 0.00 C ATOM 212 CG ARG A 17 3.688 10.981 2.353 1.00 0.00 C ATOM 213 CD ARG A 17 3.975 11.659 3.683 1.00 0.00 C ATOM 214 NE ARG A 17 4.512 13.005 3.507 1.00 0.00 N ATOM 215 CZ ARG A 17 5.070 13.708 4.487 1.00 0.00 C ATOM 216 NH1 ARG A 17 5.164 13.194 5.706 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.536 14.927 4.249 1.00 0.00 N ATOM 0 H ARG A 17 1.547 9.446 0.115 1.00 0.00 H new ATOM 0 HA ARG A 17 4.128 8.478 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.905 9.862 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.353 9.164 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.624 10.807 1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.087 11.642 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.058 11.709 4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.685 11.057 4.251 1.00 0.00 H new ATOM 0 HE ARG A 17 4.456 13.429 2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.808 12.257 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.593 13.736 6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.466 15.326 3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.964 15.465 5.002 1.00 0.00 H new ATOM 231 N CYS A 18 3.058 6.408 2.098 1.00 0.00 N ATOM 232 CA CYS A 18 2.464 5.114 2.411 1.00 0.00 C ATOM 233 C CYS A 18 1.146 5.288 3.161 1.00 0.00 C ATOM 234 O CYS A 18 1.046 6.099 4.081 1.00 0.00 O ATOM 235 CB CYS A 18 3.432 4.275 3.247 1.00 0.00 C ATOM 236 SG CYS A 18 2.788 2.633 3.704 1.00 0.00 S ATOM 0 H CYS A 18 4.063 6.461 2.263 1.00 0.00 H new ATOM 0 HA CYS A 18 2.262 4.597 1.473 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.360 4.147 2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.679 4.823 4.156 1.00 0.00 H new ATOM 0 HG CYS A 18 1.968 2.217 2.785 1.00 0.00 H new ATOM 241 N ALA A 19 0.138 4.521 2.760 1.00 0.00 N ATOM 242 CA ALA A 19 -1.172 4.588 3.394 1.00 0.00 C ATOM 243 C ALA A 19 -1.182 3.827 4.716 1.00 0.00 C ATOM 244 O ALA A 19 -2.243 3.545 5.273 1.00 0.00 O ATOM 245 CB ALA A 19 -2.240 4.039 2.459 1.00 0.00 C ATOM 0 H ALA A 19 0.204 3.846 1.998 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.393 5.634 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.214 4.095 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.258 4.628 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.014 3.000 2.219 1.00 0.00 H new ATOM 251 N ARG A 20 0.006 3.496 5.212 1.00 0.00 N ATOM 252 CA ARG A 20 0.133 2.765 6.467 1.00 0.00 C ATOM 253 C ARG A 20 1.045 3.509 7.439 1.00 0.00 C ATOM 254 O ARG A 20 0.699 3.705 8.604 1.00 0.00 O ATOM 255 CB ARG A 20 0.682 1.360 6.211 1.00 0.00 C ATOM 256 CG ARG A 20 0.874 0.541 7.476 1.00 0.00 C ATOM 257 CD ARG A 20 -0.458 0.188 8.119 1.00 0.00 C ATOM 258 NE ARG A 20 -0.313 -0.141 9.535 1.00 0.00 N ATOM 259 CZ ARG A 20 -1.308 -0.072 10.411 1.00 0.00 C ATOM 260 NH1 ARG A 20 -2.515 0.313 10.020 1.00 0.00 N ATOM 261 NH2 ARG A 20 -1.097 -0.388 11.683 1.00 0.00 N ATOM 0 H ARG A 20 0.894 3.722 4.764 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.858 2.685 6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.002 0.829 5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.637 1.441 5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.419 -0.373 7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.484 1.101 8.184 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.146 1.026 8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.901 -0.658 7.594 1.00 0.00 H new ATOM 0 HE ARG A 20 0.603 -0.440 9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.681 0.557 9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.277 0.365 10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.170 -0.684 11.988 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.862 -0.335 12.355 1.00 0.00 H new ATOM 275 N CYS A 21 2.210 3.920 6.952 1.00 0.00 N ATOM 276 CA CYS A 21 3.173 4.642 7.776 1.00 0.00 C ATOM 277 C CYS A 21 3.078 6.145 7.533 1.00 0.00 C ATOM 278 O CYS A 21 3.115 6.940 8.472 1.00 0.00 O ATOM 279 CB CYS A 21 4.593 4.155 7.482 1.00 0.00 C ATOM 280 SG CYS A 21 4.721 2.360 7.201 1.00 0.00 S ATOM 0 H CYS A 21 2.511 3.766 5.990 1.00 0.00 H new ATOM 0 HA CYS A 21 2.938 4.446 8.822 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.970 4.677 6.603 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.239 4.428 8.316 1.00 0.00 H new ATOM 0 HG CYS A 21 5.959 2.046 6.958 1.00 0.00 H new ATOM 285 N SER A 22 2.955 6.528 6.266 1.00 0.00 N ATOM 286 CA SER A 22 2.858 7.936 5.899 1.00 0.00 C ATOM 287 C SER A 22 4.215 8.623 6.020 1.00 0.00 C ATOM 288 O SER A 22 4.334 9.685 6.633 1.00 0.00 O ATOM 289 CB SER A 22 1.832 8.646 6.784 1.00 0.00 C ATOM 290 OG SER A 22 1.294 9.782 6.129 1.00 0.00 O ATOM 0 H SER A 22 2.920 5.883 5.477 1.00 0.00 H new ATOM 0 HA SER A 22 2.532 7.994 4.860 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.029 7.956 7.041 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.302 8.950 7.719 1.00 0.00 H new ATOM 0 HG SER A 22 0.640 10.218 6.714 1.00 0.00 H new ATOM 296 N LYS A 23 5.237 8.010 5.433 1.00 0.00 N ATOM 297 CA LYS A 23 6.586 8.561 5.473 1.00 0.00 C ATOM 298 C LYS A 23 6.922 9.273 4.166 1.00 0.00 C ATOM 299 O LYS A 23 6.935 10.503 4.101 1.00 0.00 O ATOM 300 CB LYS A 23 7.605 7.451 5.738 1.00 0.00 C ATOM 301 CG LYS A 23 7.480 6.827 7.117 1.00 0.00 C ATOM 302 CD LYS A 23 8.734 6.057 7.497 1.00 0.00 C ATOM 303 CE LYS A 23 8.452 5.037 8.589 1.00 0.00 C ATOM 304 NZ LYS A 23 8.511 5.646 9.946 1.00 0.00 N ATOM 0 H LYS A 23 5.156 7.130 4.923 1.00 0.00 H new ATOM 0 HA LYS A 23 6.631 9.288 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.486 6.673 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.610 7.857 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.294 7.607 7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.620 6.157 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.131 5.550 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.501 6.753 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.467 4.598 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.177 4.225 8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.313 4.918 10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.459 6.042 10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.802 6.404 10.018 1.00 0.00 H new ATOM 318 N THR A 24 7.192 8.492 3.124 1.00 0.00 N ATOM 319 CA THR A 24 7.528 9.047 1.819 1.00 0.00 C ATOM 320 C THR A 24 7.637 7.950 0.767 1.00 0.00 C ATOM 321 O THR A 24 8.019 6.819 1.071 1.00 0.00 O ATOM 322 CB THR A 24 8.853 9.831 1.866 1.00 0.00 C ATOM 323 OG1 THR A 24 9.748 9.225 2.806 1.00 0.00 O ATOM 324 CG2 THR A 24 8.610 11.282 2.253 1.00 0.00 C ATOM 0 H THR A 24 7.184 7.473 3.159 1.00 0.00 H new ATOM 0 HA THR A 24 6.721 9.728 1.548 1.00 0.00 H new ATOM 0 HB THR A 24 9.299 9.806 0.872 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.588 9.728 2.829 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.560 11.815 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.952 11.749 1.520 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.143 11.323 3.237 1.00 0.00 H new ATOM 332 N LEU A 25 7.299 8.290 -0.472 1.00 0.00 N ATOM 333 CA LEU A 25 7.360 7.333 -1.572 1.00 0.00 C ATOM 334 C LEU A 25 8.012 7.957 -2.802 1.00 0.00 C ATOM 335 O LEU A 25 7.326 8.414 -3.717 1.00 0.00 O ATOM 336 CB LEU A 25 5.956 6.837 -1.921 1.00 0.00 C ATOM 337 CG LEU A 25 5.294 5.919 -0.893 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.785 6.114 -0.897 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.646 4.465 -1.172 1.00 0.00 C ATOM 0 H LEU A 25 6.980 9.221 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 25 7.968 6.487 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.313 7.704 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.005 6.308 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 25 5.671 6.180 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.331 5.453 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.551 7.149 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.391 5.880 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.166 3.826 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.297 4.191 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.727 4.335 -1.118 1.00 0.00 H new ATOM 396 N VAL A 30 4.126 1.554 -4.765 1.00 0.00 N ATOM 397 CA VAL A 30 2.903 1.017 -5.350 1.00 0.00 C ATOM 398 C VAL A 30 1.671 1.713 -4.781 1.00 0.00 C ATOM 399 O VAL A 30 1.777 2.570 -3.903 1.00 0.00 O ATOM 400 CB VAL A 30 2.782 -0.498 -5.105 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.851 -1.252 -5.883 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.877 -0.807 -3.618 1.00 0.00 C ATOM 0 HA VAL A 30 2.958 1.200 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 30 1.806 -0.829 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.750 -2.321 -5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.732 -1.056 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.838 -0.920 -5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.789 -1.882 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.838 -0.462 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.072 -0.298 -3.088 1.00 0.00 H new ATOM 412 N THR A 31 0.500 1.338 -5.287 1.00 0.00 N ATOM 413 CA THR A 31 -0.753 1.925 -4.830 1.00 0.00 C ATOM 414 C THR A 31 -1.827 0.858 -4.651 1.00 0.00 C ATOM 415 O THR A 31 -2.128 0.105 -5.577 1.00 0.00 O ATOM 416 CB THR A 31 -1.265 2.992 -5.816 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.356 3.714 -5.233 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.713 2.353 -7.121 1.00 0.00 C ATOM 0 H THR A 31 0.394 0.630 -6.014 1.00 0.00 H new ATOM 0 HA THR A 31 -0.549 2.396 -3.869 1.00 0.00 H new ATOM 0 HB THR A 31 -0.447 3.680 -6.029 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.590 3.312 -4.370 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.070 3.126 -7.801 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.873 1.829 -7.577 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.517 1.645 -6.922 1.00 0.00 H new ATOM 426 N TYR A 32 -2.402 0.800 -3.455 1.00 0.00 N ATOM 427 CA TYR A 32 -3.443 -0.176 -3.155 1.00 0.00 C ATOM 428 C TYR A 32 -4.762 0.517 -2.828 1.00 0.00 C ATOM 429 O TYR A 32 -4.837 1.329 -1.906 1.00 0.00 O ATOM 430 CB TYR A 32 -3.016 -1.063 -1.984 1.00 0.00 C ATOM 431 CG TYR A 32 -4.177 -1.654 -1.217 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.810 -0.935 -0.211 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.643 -2.933 -1.500 1.00 0.00 C ATOM 434 CE1 TYR A 32 -5.870 -1.472 0.492 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.704 -3.477 -0.803 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.314 -2.743 0.193 1.00 0.00 C ATOM 437 OH TYR A 32 -7.371 -3.281 0.890 1.00 0.00 O ATOM 0 H TYR A 32 -2.165 1.417 -2.678 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.590 -0.797 -4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.391 -1.872 -2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.401 -0.477 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.467 0.061 0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.167 -3.511 -2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.349 -0.899 1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.054 -4.472 -1.036 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.559 -4.183 0.555 1.00 0.00 H new ATOM 447 N ARG A 33 -5.800 0.188 -3.590 1.00 0.00 N ATOM 448 CA ARG A 33 -7.117 0.778 -3.383 1.00 0.00 C ATOM 449 C ARG A 33 -7.073 2.290 -3.585 1.00 0.00 C ATOM 450 O ARG A 33 -7.468 3.056 -2.706 1.00 0.00 O ATOM 451 CB ARG A 33 -7.629 0.456 -1.977 1.00 0.00 C ATOM 452 CG ARG A 33 -8.145 -0.966 -1.829 1.00 0.00 C ATOM 453 CD ARG A 33 -9.054 -1.104 -0.617 1.00 0.00 C ATOM 454 NE ARG A 33 -10.030 -2.178 -0.785 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.084 -2.095 -1.589 1.00 0.00 C ATOM 456 NH1 ARG A 33 -11.297 -0.994 -2.296 1.00 0.00 N ATOM 457 NH2 ARG A 33 -11.926 -3.115 -1.688 1.00 0.00 N ATOM 0 H ARG A 33 -5.754 -0.484 -4.356 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.799 0.350 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.824 0.618 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.428 1.152 -1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.690 -1.252 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.303 -1.652 -1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.450 -1.298 0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.576 -0.163 -0.446 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.895 -3.039 -0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.651 -0.208 -2.223 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.107 -0.933 -2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.764 -3.964 -1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.735 -3.050 -2.306 1.00 0.00 H new ATOM 471 N ASP A 34 -6.591 2.712 -4.749 1.00 0.00 N ATOM 472 CA ASP A 34 -6.496 4.132 -5.067 1.00 0.00 C ATOM 473 C ASP A 34 -5.749 4.886 -3.972 1.00 0.00 C ATOM 474 O ASP A 34 -6.077 6.030 -3.659 1.00 0.00 O ATOM 475 CB ASP A 34 -7.891 4.729 -5.254 1.00 0.00 C ATOM 476 CG ASP A 34 -8.497 4.378 -6.599 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.729 4.045 -7.526 1.00 0.00 O ATOM 478 OD2 ASP A 34 -9.738 4.434 -6.723 1.00 0.00 O ATOM 0 H ASP A 34 -6.260 2.091 -5.488 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.938 4.234 -5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.546 4.371 -4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.835 5.813 -5.156 1.00 0.00 H new ATOM 483 N GLN A 35 -4.744 4.236 -3.393 1.00 0.00 N ATOM 484 CA GLN A 35 -3.952 4.845 -2.331 1.00 0.00 C ATOM 485 C GLN A 35 -2.507 4.361 -2.383 1.00 0.00 C ATOM 486 O GLN A 35 -2.224 3.208 -2.712 1.00 0.00 O ATOM 487 CB GLN A 35 -4.560 4.525 -0.964 1.00 0.00 C ATOM 488 CG GLN A 35 -5.836 5.297 -0.670 1.00 0.00 C ATOM 489 CD GLN A 35 -6.065 5.502 0.814 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.774 4.727 1.457 1.00 0.00 O ATOM 491 NE2 GLN A 35 -5.465 6.549 1.367 1.00 0.00 N ATOM 0 H GLN A 35 -4.459 3.289 -3.641 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.960 5.925 -2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.771 3.457 -0.910 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.826 4.744 -0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.791 6.267 -1.164 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.686 4.762 -1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.886 7.165 0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.583 6.737 2.363 1.00 0.00 H new ATOM 500 N PRO A 36 -1.568 5.260 -2.053 1.00 0.00 N ATOM 501 CA PRO A 36 -0.136 4.947 -2.055 1.00 0.00 C ATOM 502 C PRO A 36 0.249 3.988 -0.934 1.00 0.00 C ATOM 503 O PRO A 36 -0.050 4.233 0.235 1.00 0.00 O ATOM 504 CB PRO A 36 0.526 6.311 -1.843 1.00 0.00 C ATOM 505 CG PRO A 36 -0.502 7.125 -1.135 1.00 0.00 C ATOM 506 CD PRO A 36 -1.833 6.652 -1.652 1.00 0.00 C ATOM 0 HA PRO A 36 0.171 4.448 -2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.437 6.221 -1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.807 6.767 -2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.432 6.989 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.362 8.188 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.605 6.709 -0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.174 7.255 -2.494 1.00 0.00 H new ATOM 514 N TRP A 37 0.914 2.898 -1.297 1.00 0.00 N ATOM 515 CA TRP A 37 1.341 1.902 -0.320 1.00 0.00 C ATOM 516 C TRP A 37 2.808 1.538 -0.519 1.00 0.00 C ATOM 517 O TRP A 37 3.321 1.577 -1.638 1.00 0.00 O ATOM 518 CB TRP A 37 0.472 0.647 -0.428 1.00 0.00 C ATOM 519 CG TRP A 37 -0.810 0.745 0.343 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.895 1.516 0.034 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.140 0.049 1.550 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.879 1.341 0.977 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.441 0.446 1.917 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.463 -0.871 2.355 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.075 -0.047 3.054 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.094 -1.359 3.483 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.390 -0.947 3.825 1.00 0.00 C ATOM 0 H TRP A 37 1.170 2.681 -2.260 1.00 0.00 H new ATOM 0 HA TRP A 37 1.225 2.332 0.675 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.243 0.461 -1.477 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.039 -0.211 -0.068 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.968 2.167 -0.825 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.788 1.803 0.977 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.535 -1.195 2.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.073 0.270 3.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.580 -2.070 4.112 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.856 -1.347 4.713 1.00 0.00 H new ATOM 538 N HIS A 38 3.478 1.183 0.572 1.00 0.00 N ATOM 539 CA HIS A 38 4.887 0.811 0.517 1.00 0.00 C ATOM 540 C HIS A 38 5.056 -0.596 -0.050 1.00 0.00 C ATOM 541 O HIS A 38 4.595 -1.573 0.541 1.00 0.00 O ATOM 542 CB HIS A 38 5.513 0.890 1.909 1.00 0.00 C ATOM 543 CG HIS A 38 6.105 2.230 2.225 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.119 2.765 3.495 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.706 3.142 1.426 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.703 3.950 3.464 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.069 4.202 2.220 1.00 0.00 N ATOM 0 H HIS A 38 3.068 1.145 1.505 1.00 0.00 H new ATOM 0 HA HIS A 38 5.396 1.514 -0.142 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.753 0.653 2.654 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.290 0.130 1.993 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.870 3.053 0.362 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.855 4.602 4.312 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.544 5.046 1.901 1.00 0.00 H new ATOM 555 N ARG A 39 5.718 -0.690 -1.199 1.00 0.00 N ATOM 556 CA ARG A 39 5.945 -1.977 -1.846 1.00 0.00 C ATOM 557 C ARG A 39 6.200 -3.068 -0.811 1.00 0.00 C ATOM 558 O ARG A 39 5.801 -4.217 -0.997 1.00 0.00 O ATOM 559 CB ARG A 39 7.129 -1.885 -2.810 1.00 0.00 C ATOM 560 CG ARG A 39 6.750 -1.393 -4.197 1.00 0.00 C ATOM 561 CD ARG A 39 7.844 -1.688 -5.211 1.00 0.00 C ATOM 562 NE ARG A 39 8.140 -3.115 -5.297 1.00 0.00 N ATOM 563 CZ ARG A 39 7.482 -3.957 -6.087 1.00 0.00 C ATOM 564 NH1 ARG A 39 6.496 -3.516 -6.855 1.00 0.00 N ATOM 565 NH2 ARG A 39 7.811 -5.242 -6.109 1.00 0.00 N ATOM 0 H ARG A 39 6.106 0.109 -1.700 1.00 0.00 H new ATOM 0 HA ARG A 39 5.048 -2.237 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.878 -1.215 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.593 -2.868 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.822 -1.870 -4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.562 -0.320 -4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.538 -1.322 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.749 -1.146 -4.936 1.00 0.00 H new ATOM 0 HE ARG A 39 8.894 -3.486 -4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.241 -2.529 -6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.992 -4.164 -7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.570 -5.584 -5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.305 -5.888 -6.716 1.00 0.00 H new ATOM 579 N GLU A 40 6.868 -2.700 0.277 1.00 0.00 N ATOM 580 CA GLU A 40 7.178 -3.649 1.340 1.00 0.00 C ATOM 581 C GLU A 40 5.966 -3.871 2.241 1.00 0.00 C ATOM 582 O GLU A 40 5.653 -5.002 2.612 1.00 0.00 O ATOM 583 CB GLU A 40 8.361 -3.149 2.172 1.00 0.00 C ATOM 584 CG GLU A 40 8.068 -1.871 2.940 1.00 0.00 C ATOM 585 CD GLU A 40 9.199 -1.478 3.871 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.372 -1.701 3.508 1.00 0.00 O ATOM 587 OE2 GLU A 40 8.909 -0.947 4.964 1.00 0.00 O ATOM 0 H GLU A 40 7.205 -1.752 0.446 1.00 0.00 H new ATOM 0 HA GLU A 40 7.445 -4.599 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.654 -3.927 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.212 -2.980 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.885 -1.061 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.154 -2.001 3.519 1.00 0.00 H new ATOM 594 N CYS A 41 5.289 -2.782 2.591 1.00 0.00 N ATOM 595 CA CYS A 41 4.113 -2.856 3.449 1.00 0.00 C ATOM 596 C CYS A 41 3.000 -3.657 2.779 1.00 0.00 C ATOM 597 O CYS A 41 2.461 -4.599 3.362 1.00 0.00 O ATOM 598 CB CYS A 41 3.612 -1.449 3.784 1.00 0.00 C ATOM 599 SG CYS A 41 4.644 -0.562 4.995 1.00 0.00 S ATOM 0 H CYS A 41 5.535 -1.838 2.293 1.00 0.00 H new ATOM 0 HA CYS A 41 4.398 -3.363 4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.564 -0.864 2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.595 -1.519 4.171 1.00 0.00 H new ATOM 0 HG CYS A 41 4.023 0.508 5.394 1.00 0.00 H new ATOM 604 N LEU A 42 2.661 -3.277 1.552 1.00 0.00 N ATOM 605 CA LEU A 42 1.613 -3.960 0.802 1.00 0.00 C ATOM 606 C LEU A 42 1.830 -5.470 0.815 1.00 0.00 C ATOM 607 O LEU A 42 2.644 -5.997 0.057 1.00 0.00 O ATOM 608 CB LEU A 42 1.575 -3.451 -0.640 1.00 0.00 C ATOM 609 CG LEU A 42 0.528 -4.092 -1.551 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.875 -3.734 -1.085 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.740 -3.658 -2.994 1.00 0.00 C ATOM 0 H LEU A 42 3.097 -2.500 1.056 1.00 0.00 H new ATOM 0 HA LEU A 42 0.658 -3.744 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.400 -2.375 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.558 -3.606 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 42 0.641 -5.175 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.607 -4.199 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.023 -4.095 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.001 -2.652 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.014 -4.124 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.654 -2.574 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.732 -3.965 -3.324 1.00 0.00 H new ATOM 623 N VAL A 43 1.094 -6.161 1.680 1.00 0.00 N ATOM 624 CA VAL A 43 1.204 -7.611 1.789 1.00 0.00 C ATOM 625 C VAL A 43 -0.127 -8.234 2.196 1.00 0.00 C ATOM 626 O VAL A 43 -1.003 -7.556 2.735 1.00 0.00 O ATOM 627 CB VAL A 43 2.282 -8.017 2.812 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.638 -7.459 2.408 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.896 -7.548 4.206 1.00 0.00 C ATOM 0 H VAL A 43 0.416 -5.740 2.315 1.00 0.00 H new ATOM 0 HA VAL A 43 1.490 -7.982 0.805 1.00 0.00 H new ATOM 0 HB VAL A 43 2.354 -9.105 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.387 -7.756 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.915 -7.849 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.585 -6.371 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.668 -7.843 4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.795 -6.463 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.947 -8.002 4.493 1.00 0.00 H new ATOM 639 N CYS A 44 -0.273 -9.528 1.935 1.00 0.00 N ATOM 640 CA CYS A 44 -1.497 -10.244 2.274 1.00 0.00 C ATOM 641 C CYS A 44 -1.787 -10.149 3.769 1.00 0.00 C ATOM 642 O CYS A 44 -0.870 -10.102 4.590 1.00 0.00 O ATOM 643 CB CYS A 44 -1.386 -11.712 1.857 1.00 0.00 C ATOM 644 SG CYS A 44 -2.882 -12.696 2.195 1.00 0.00 S ATOM 0 H CYS A 44 0.442 -10.103 1.489 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.321 -9.780 1.732 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.166 -11.760 0.791 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.542 -12.164 2.378 1.00 0.00 H new ATOM 0 HG CYS A 44 -2.790 -13.845 1.594 1.00 0.00 H new ATOM 649 N THR A 45 -3.070 -10.121 4.117 1.00 0.00 N ATOM 650 CA THR A 45 -3.482 -10.030 5.512 1.00 0.00 C ATOM 651 C THR A 45 -3.690 -11.415 6.115 1.00 0.00 C ATOM 652 O THR A 45 -4.373 -11.566 7.127 1.00 0.00 O ATOM 653 CB THR A 45 -4.781 -9.217 5.662 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.683 -7.995 4.921 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.060 -8.907 7.125 1.00 0.00 C ATOM 0 H THR A 45 -3.842 -10.160 3.451 1.00 0.00 H new ATOM 0 HA THR A 45 -2.680 -9.521 6.046 1.00 0.00 H new ATOM 0 HB THR A 45 -5.604 -9.814 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.697 -8.192 3.961 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.983 -8.332 7.206 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.163 -9.839 7.681 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.234 -8.328 7.538 1.00 0.00 H new ATOM 663 N GLY A 46 -3.096 -12.424 5.486 1.00 0.00 N ATOM 664 CA GLY A 46 -3.228 -13.784 5.976 1.00 0.00 C ATOM 665 C GLY A 46 -1.907 -14.529 5.983 1.00 0.00 C ATOM 666 O GLY A 46 -1.595 -15.245 6.934 1.00 0.00 O ATOM 0 H GLY A 46 -2.526 -12.324 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.636 -13.765 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.942 -14.323 5.354 1.00 0.00 H new ATOM 670 N CYS A 47 -1.130 -14.361 4.919 1.00 0.00 N ATOM 671 CA CYS A 47 0.164 -15.024 4.804 1.00 0.00 C ATOM 672 C CYS A 47 1.303 -14.011 4.873 1.00 0.00 C ATOM 673 O CYS A 47 2.470 -14.382 4.992 1.00 0.00 O ATOM 674 CB CYS A 47 0.243 -15.809 3.493 1.00 0.00 C ATOM 675 SG CYS A 47 -0.111 -14.814 2.008 1.00 0.00 S ATOM 0 H CYS A 47 -1.374 -13.771 4.123 1.00 0.00 H new ATOM 0 HA CYS A 47 0.266 -15.715 5.641 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.240 -16.240 3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.461 -16.640 3.537 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.111 -14.018 2.247 1.00 0.00 H new ATOM 680 N GLN A 48 0.953 -12.730 4.798 1.00 0.00 N ATOM 681 CA GLN A 48 1.946 -11.664 4.851 1.00 0.00 C ATOM 682 C GLN A 48 2.884 -11.732 3.650 1.00 0.00 C ATOM 683 O GLN A 48 4.104 -11.641 3.795 1.00 0.00 O ATOM 684 CB GLN A 48 2.752 -11.753 6.148 1.00 0.00 C ATOM 685 CG GLN A 48 1.908 -11.584 7.401 1.00 0.00 C ATOM 686 CD GLN A 48 1.175 -10.258 7.437 1.00 0.00 C ATOM 687 OE1 GLN A 48 1.785 -9.202 7.604 1.00 0.00 O ATOM 688 NE2 GLN A 48 -0.143 -10.306 7.279 1.00 0.00 N ATOM 0 H GLN A 48 -0.009 -12.406 4.701 1.00 0.00 H new ATOM 0 HA GLN A 48 1.419 -10.710 4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.256 -12.718 6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.528 -10.988 6.137 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.184 -12.397 7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.548 -11.665 8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.608 -11.204 7.143 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.690 -9.445 7.293 1.00 0.00 H new ATOM 697 N THR A 49 2.307 -11.895 2.464 1.00 0.00 N ATOM 698 CA THR A 49 3.091 -11.978 1.238 1.00 0.00 C ATOM 699 C THR A 49 2.975 -10.694 0.423 1.00 0.00 C ATOM 700 O THR A 49 1.909 -10.086 0.327 1.00 0.00 O ATOM 701 CB THR A 49 2.647 -13.167 0.366 1.00 0.00 C ATOM 702 OG1 THR A 49 3.588 -13.377 -0.693 1.00 0.00 O ATOM 703 CG2 THR A 49 1.264 -12.923 -0.219 1.00 0.00 C ATOM 0 H THR A 49 1.299 -11.972 2.326 1.00 0.00 H new ATOM 0 HA THR A 49 4.129 -12.124 1.537 1.00 0.00 H new ATOM 0 HB THR A 49 2.606 -14.055 0.996 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.299 -14.136 -1.242 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.972 -13.776 -0.831 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.545 -12.793 0.590 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.283 -12.024 -0.835 1.00 0.00 H new ATOM 711 N PRO A 50 4.096 -10.271 -0.179 1.00 0.00 N ATOM 712 CA PRO A 50 4.145 -9.056 -0.997 1.00 0.00 C ATOM 713 C PRO A 50 3.382 -9.209 -2.309 1.00 0.00 C ATOM 714 O PRO A 50 3.843 -9.881 -3.232 1.00 0.00 O ATOM 715 CB PRO A 50 5.640 -8.869 -1.267 1.00 0.00 C ATOM 716 CG PRO A 50 6.219 -10.237 -1.152 1.00 0.00 C ATOM 717 CD PRO A 50 5.403 -10.946 -0.107 1.00 0.00 C ATOM 0 HA PRO A 50 3.680 -8.208 -0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.814 -8.447 -2.257 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.090 -8.186 -0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.172 -10.762 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.269 -10.193 -0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.317 -12.012 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.849 -10.853 0.883 1.00 0.00 H new ATOM 725 N LEU A 51 2.213 -8.582 -2.384 1.00 0.00 N ATOM 726 CA LEU A 51 1.386 -8.649 -3.584 1.00 0.00 C ATOM 727 C LEU A 51 1.832 -7.613 -4.611 1.00 0.00 C ATOM 728 O LEU A 51 1.120 -7.335 -5.576 1.00 0.00 O ATOM 729 CB LEU A 51 -0.085 -8.428 -3.226 1.00 0.00 C ATOM 730 CG LEU A 51 -0.625 -9.262 -2.063 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.744 -8.520 -1.349 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.112 -10.616 -2.558 1.00 0.00 C ATOM 0 H LEU A 51 1.817 -8.022 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 51 1.503 -9.641 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.226 -7.374 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.689 -8.638 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 51 0.185 -9.427 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.116 -9.128 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.364 -7.575 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.555 -8.324 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.493 -11.196 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.908 -10.472 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.285 -11.152 -3.023 1.00 0.00 H new ATOM 744 N ALA A 52 3.015 -7.047 -4.398 1.00 0.00 N ATOM 745 CA ALA A 52 3.558 -6.046 -5.307 1.00 0.00 C ATOM 746 C ALA A 52 3.218 -6.378 -6.756 1.00 0.00 C ATOM 747 O ALA A 52 3.866 -7.218 -7.379 1.00 0.00 O ATOM 748 CB ALA A 52 5.065 -5.933 -5.129 1.00 0.00 C ATOM 0 H ALA A 52 3.616 -7.265 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 52 3.102 -5.086 -5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.457 -5.182 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.289 -5.641 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.530 -6.896 -5.342 1.00 0.00 H new ATOM 754 N GLY A 53 2.196 -5.713 -7.286 1.00 0.00 N ATOM 755 CA GLY A 53 1.787 -5.952 -8.658 1.00 0.00 C ATOM 756 C GLY A 53 1.404 -7.398 -8.905 1.00 0.00 C ATOM 757 O GLY A 53 1.780 -7.981 -9.922 1.00 0.00 O ATOM 0 H GLY A 53 1.644 -5.013 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.941 -5.309 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.599 -5.675 -9.330 1.00 0.00 H new ATOM 761 N GLN A 54 0.656 -7.978 -7.972 1.00 0.00 N ATOM 762 CA GLN A 54 0.224 -9.365 -8.093 1.00 0.00 C ATOM 763 C GLN A 54 -1.289 -9.452 -8.257 1.00 0.00 C ATOM 764 O GLN A 54 -2.023 -8.577 -7.799 1.00 0.00 O ATOM 765 CB GLN A 54 0.663 -10.167 -6.866 1.00 0.00 C ATOM 766 CG GLN A 54 -0.243 -11.346 -6.554 1.00 0.00 C ATOM 767 CD GLN A 54 0.121 -12.588 -7.344 1.00 0.00 C ATOM 768 OE1 GLN A 54 0.215 -12.551 -8.571 1.00 0.00 O ATOM 769 NE2 GLN A 54 0.330 -13.696 -6.642 1.00 0.00 N ATOM 0 H GLN A 54 0.337 -7.509 -7.124 1.00 0.00 H new ATOM 0 HA GLN A 54 0.692 -9.788 -8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.678 -10.531 -7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.694 -9.504 -6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.188 -11.569 -5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.276 -11.073 -6.770 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.241 -13.680 -5.626 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.580 -14.562 -7.119 1.00 0.00 H new ATOM 778 N GLN A 55 -1.749 -10.513 -8.913 1.00 0.00 N ATOM 779 CA GLN A 55 -3.175 -10.713 -9.138 1.00 0.00 C ATOM 780 C GLN A 55 -3.882 -11.098 -7.842 1.00 0.00 C ATOM 781 O GLN A 55 -4.095 -12.279 -7.567 1.00 0.00 O ATOM 782 CB GLN A 55 -3.400 -11.794 -10.196 1.00 0.00 C ATOM 783 CG GLN A 55 -2.727 -13.117 -9.867 1.00 0.00 C ATOM 784 CD GLN A 55 -2.339 -13.899 -11.107 1.00 0.00 C ATOM 785 OE1 GLN A 55 -1.630 -13.393 -11.977 1.00 0.00 O ATOM 786 NE2 GLN A 55 -2.804 -15.140 -11.193 1.00 0.00 N ATOM 0 H GLN A 55 -1.154 -11.247 -9.298 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.596 -9.773 -9.495 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.471 -11.960 -10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.027 -11.435 -11.155 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.836 -12.928 -9.268 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.399 -13.720 -9.257 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.389 -15.518 -10.448 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.577 -15.715 -12.004 1.00 0.00 H new ATOM 795 N PHE A 56 -4.243 -10.095 -7.050 1.00 0.00 N ATOM 796 CA PHE A 56 -4.925 -10.329 -5.782 1.00 0.00 C ATOM 797 C PHE A 56 -6.245 -9.566 -5.725 1.00 0.00 C ATOM 798 O PHE A 56 -6.594 -8.834 -6.653 1.00 0.00 O ATOM 799 CB PHE A 56 -4.030 -9.911 -4.613 1.00 0.00 C ATOM 800 CG PHE A 56 -3.959 -8.424 -4.415 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.889 -7.771 -3.621 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.961 -7.678 -5.022 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.825 -6.403 -3.438 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.892 -6.309 -4.842 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.825 -5.671 -4.048 1.00 0.00 C ATOM 0 H PHE A 56 -4.075 -9.112 -7.263 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.139 -11.395 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.400 -10.374 -3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.024 -10.296 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.672 -8.338 -3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.228 -8.172 -5.643 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.557 -5.906 -2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.110 -5.739 -5.321 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.773 -4.602 -3.904 1.00 0.00 H new ATOM 815 N THR A 57 -6.977 -9.742 -4.629 1.00 0.00 N ATOM 816 CA THR A 57 -8.259 -9.072 -4.451 1.00 0.00 C ATOM 817 C THR A 57 -8.385 -8.492 -3.047 1.00 0.00 C ATOM 818 O THR A 57 -7.727 -8.950 -2.114 1.00 0.00 O ATOM 819 CB THR A 57 -9.435 -10.034 -4.704 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.676 -9.373 -4.432 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.315 -11.276 -3.834 1.00 0.00 C ATOM 0 H THR A 57 -6.704 -10.343 -3.852 1.00 0.00 H new ATOM 0 HA THR A 57 -8.297 -8.263 -5.181 1.00 0.00 H new ATOM 0 HB THR A 57 -9.408 -10.339 -5.750 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.419 -9.991 -4.597 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.157 -11.940 -4.030 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.383 -11.793 -4.064 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.319 -10.986 -2.783 1.00 0.00 H new ATOM 829 N SER A 58 -9.237 -7.481 -2.904 1.00 0.00 N ATOM 830 CA SER A 58 -9.447 -6.835 -1.614 1.00 0.00 C ATOM 831 C SER A 58 -10.752 -7.306 -0.977 1.00 0.00 C ATOM 832 O SER A 58 -11.763 -7.473 -1.659 1.00 0.00 O ATOM 833 CB SER A 58 -9.466 -5.314 -1.777 1.00 0.00 C ATOM 834 OG SER A 58 -8.399 -4.877 -2.602 1.00 0.00 O ATOM 0 H SER A 58 -9.793 -7.092 -3.666 1.00 0.00 H new ATOM 0 HA SER A 58 -8.621 -7.112 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.416 -5.003 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.392 -4.839 -0.799 1.00 0.00 H new ATOM 0 HG SER A 58 -7.709 -4.456 -2.048 1.00 0.00 H new ATOM 840 N ARG A 59 -10.720 -7.518 0.334 1.00 0.00 N ATOM 841 CA ARG A 59 -11.899 -7.970 1.064 1.00 0.00 C ATOM 842 C ARG A 59 -12.005 -7.268 2.414 1.00 0.00 C ATOM 843 O ARG A 59 -11.023 -7.163 3.150 1.00 0.00 O ATOM 844 CB ARG A 59 -11.848 -9.485 1.267 1.00 0.00 C ATOM 845 CG ARG A 59 -13.142 -10.071 1.808 1.00 0.00 C ATOM 846 CD ARG A 59 -14.244 -10.049 0.760 1.00 0.00 C ATOM 847 NE ARG A 59 -15.573 -10.129 1.360 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.099 -11.252 1.835 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.412 -12.385 1.779 1.00 0.00 N ATOM 850 NH2 ARG A 59 -17.314 -11.244 2.367 1.00 0.00 N ATOM 0 H ARG A 59 -9.891 -7.384 0.913 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.780 -7.718 0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.612 -9.963 0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.036 -9.724 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.970 -11.096 2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.460 -9.506 2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.166 -9.135 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.106 -10.883 0.072 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.128 -9.275 1.417 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.477 -12.395 1.370 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.818 -13.246 2.145 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.845 -10.375 2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.717 -12.107 2.731 1.00 0.00 H new ATOM 864 N ASP A 60 -13.202 -6.788 2.733 1.00 0.00 N ATOM 865 CA ASP A 60 -13.437 -6.096 3.995 1.00 0.00 C ATOM 866 C ASP A 60 -12.375 -5.028 4.235 1.00 0.00 C ATOM 867 O ASP A 60 -11.961 -4.796 5.371 1.00 0.00 O ATOM 868 CB ASP A 60 -13.446 -7.094 5.154 1.00 0.00 C ATOM 869 CG ASP A 60 -14.756 -7.849 5.258 1.00 0.00 C ATOM 870 OD1 ASP A 60 -14.941 -8.823 4.499 1.00 0.00 O ATOM 871 OD2 ASP A 60 -15.597 -7.466 6.099 1.00 0.00 O ATOM 0 H ASP A 60 -14.025 -6.865 2.135 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.410 -5.608 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.630 -7.805 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.261 -6.563 6.088 1.00 0.00 H new ATOM 876 N GLU A 61 -11.938 -4.382 3.159 1.00 0.00 N ATOM 877 CA GLU A 61 -10.923 -3.340 3.253 1.00 0.00 C ATOM 878 C GLU A 61 -9.581 -3.925 3.684 1.00 0.00 C ATOM 879 O GLU A 61 -8.933 -3.414 4.597 1.00 0.00 O ATOM 880 CB GLU A 61 -11.361 -2.258 4.243 1.00 0.00 C ATOM 881 CG GLU A 61 -12.734 -1.680 3.944 1.00 0.00 C ATOM 882 CD GLU A 61 -12.884 -0.252 4.430 1.00 0.00 C ATOM 883 OE1 GLU A 61 -12.848 -0.036 5.659 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.037 0.651 3.580 1.00 0.00 O ATOM 0 H GLU A 61 -12.271 -4.562 2.212 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.805 -2.893 2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.364 -2.677 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.627 -1.452 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.913 -1.715 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.496 -2.302 4.414 1.00 0.00 H new ATOM 891 N ASP A 62 -9.171 -5.000 3.020 1.00 0.00 N ATOM 892 CA ASP A 62 -7.907 -5.656 3.333 1.00 0.00 C ATOM 893 C ASP A 62 -7.395 -6.449 2.135 1.00 0.00 C ATOM 894 O ASP A 62 -8.113 -7.250 1.536 1.00 0.00 O ATOM 895 CB ASP A 62 -8.072 -6.581 4.540 1.00 0.00 C ATOM 896 CG ASP A 62 -7.972 -5.837 5.857 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.000 -5.075 6.036 1.00 0.00 O ATOM 898 OD2 ASP A 62 -8.868 -6.018 6.709 1.00 0.00 O ATOM 0 H ASP A 62 -9.696 -5.436 2.262 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.176 -4.884 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.039 -7.081 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.308 -7.358 4.506 1.00 0.00 H new ATOM 903 N PRO A 63 -6.123 -6.222 1.774 1.00 0.00 N ATOM 904 CA PRO A 63 -5.487 -6.906 0.644 1.00 0.00 C ATOM 905 C PRO A 63 -5.247 -8.386 0.922 1.00 0.00 C ATOM 906 O PRO A 63 -4.475 -8.743 1.812 1.00 0.00 O ATOM 907 CB PRO A 63 -4.155 -6.168 0.488 1.00 0.00 C ATOM 908 CG PRO A 63 -3.870 -5.610 1.839 1.00 0.00 C ATOM 909 CD PRO A 63 -5.208 -5.281 2.442 1.00 0.00 C ATOM 0 HA PRO A 63 -6.110 -6.883 -0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.364 -6.844 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.225 -5.378 -0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.332 -6.332 2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.244 -4.720 1.770 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.207 -5.420 3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.490 -4.245 2.254 1.00 0.00 H new ATOM 917 N TYR A 64 -5.912 -9.242 0.155 1.00 0.00 N ATOM 918 CA TYR A 64 -5.772 -10.684 0.321 1.00 0.00 C ATOM 919 C TYR A 64 -5.353 -11.345 -0.989 1.00 0.00 C ATOM 920 O TYR A 64 -5.926 -11.074 -2.046 1.00 0.00 O ATOM 921 CB TYR A 64 -7.086 -11.292 0.814 1.00 0.00 C ATOM 922 CG TYR A 64 -7.348 -11.055 2.285 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.719 -11.825 3.256 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.223 -10.060 2.703 1.00 0.00 C ATOM 925 CE1 TYR A 64 -6.956 -11.612 4.600 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.465 -9.840 4.045 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.830 -10.618 4.989 1.00 0.00 C ATOM 928 OH TYR A 64 -8.067 -10.403 6.328 1.00 0.00 O ATOM 0 H TYR A 64 -6.553 -8.963 -0.588 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.995 -10.865 1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.910 -10.875 0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.074 -12.365 0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.033 -12.603 2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.722 -9.448 1.966 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.460 -12.220 5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.148 -9.062 4.353 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.706 -9.667 6.433 1.00 0.00 H new ATOM 938 N CYS A 65 -4.351 -12.214 -0.912 1.00 0.00 N ATOM 939 CA CYS A 65 -3.854 -12.915 -2.090 1.00 0.00 C ATOM 940 C CYS A 65 -4.810 -14.032 -2.502 1.00 0.00 C ATOM 941 O CYS A 65 -5.544 -14.572 -1.674 1.00 0.00 O ATOM 942 CB CYS A 65 -2.465 -13.493 -1.816 1.00 0.00 C ATOM 943 SG CYS A 65 -2.484 -15.114 -0.984 1.00 0.00 S ATOM 0 H CYS A 65 -3.867 -12.450 -0.046 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.787 -12.198 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.930 -13.588 -2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.905 -12.788 -1.202 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.677 -15.088 0.035 1.00 0.00 H new ATOM 948 N VAL A 66 -4.794 -14.373 -3.786 1.00 0.00 N ATOM 949 CA VAL A 66 -5.657 -15.425 -4.309 1.00 0.00 C ATOM 950 C VAL A 66 -5.603 -16.668 -3.427 1.00 0.00 C ATOM 951 O VAL A 66 -6.614 -17.339 -3.219 1.00 0.00 O ATOM 952 CB VAL A 66 -5.264 -15.812 -5.747 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.264 -16.801 -6.326 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.160 -14.571 -6.622 1.00 0.00 C ATOM 0 H VAL A 66 -4.192 -13.936 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.672 -15.029 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.287 -16.294 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.970 -17.063 -7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.284 -17.701 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.256 -16.349 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.881 -14.862 -7.635 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.122 -14.059 -6.643 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.402 -13.902 -6.215 1.00 0.00 H new ATOM 964 N ALA A 67 -4.416 -16.970 -2.911 1.00 0.00 N ATOM 965 CA ALA A 67 -4.230 -18.131 -2.050 1.00 0.00 C ATOM 966 C ALA A 67 -5.094 -18.029 -0.798 1.00 0.00 C ATOM 967 O ALA A 67 -5.643 -19.026 -0.328 1.00 0.00 O ATOM 968 CB ALA A 67 -2.763 -18.277 -1.671 1.00 0.00 C ATOM 0 H ALA A 67 -3.569 -16.426 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.541 -19.017 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.638 -19.148 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.165 -18.404 -2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.434 -17.384 -1.140 1.00 0.00 H new ATOM 974 N CYS A 68 -5.210 -16.819 -0.261 1.00 0.00 N ATOM 975 CA CYS A 68 -6.006 -16.587 0.938 1.00 0.00 C ATOM 976 C CYS A 68 -7.478 -16.399 0.585 1.00 0.00 C ATOM 977 O CYS A 68 -8.357 -17.016 1.188 1.00 0.00 O ATOM 978 CB CYS A 68 -5.489 -15.359 1.689 1.00 0.00 C ATOM 979 SG CYS A 68 -3.980 -15.663 2.663 1.00 0.00 S ATOM 0 H CYS A 68 -4.762 -15.983 -0.638 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.914 -17.463 1.581 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.290 -14.564 0.970 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.272 -14.998 2.356 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.412 -14.529 2.949 1.00 0.00 H new ATOM 984 N PHE A 69 -7.741 -15.542 -0.396 1.00 0.00 N ATOM 985 CA PHE A 69 -9.107 -15.271 -0.830 1.00 0.00 C ATOM 986 C PHE A 69 -9.900 -16.567 -0.970 1.00 0.00 C ATOM 987 O PHE A 69 -11.016 -16.682 -0.467 1.00 0.00 O ATOM 988 CB PHE A 69 -9.101 -14.517 -2.161 1.00 0.00 C ATOM 989 CG PHE A 69 -10.473 -14.303 -2.734 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.283 -13.281 -2.266 1.00 0.00 C ATOM 991 CD2 PHE A 69 -10.953 -15.125 -3.741 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.545 -13.081 -2.792 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.215 -14.930 -4.271 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.012 -13.908 -3.795 1.00 0.00 C ATOM 0 H PHE A 69 -7.026 -15.023 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.587 -14.652 -0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.620 -13.549 -2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.498 -15.070 -2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.924 -12.633 -1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.334 -15.927 -4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.165 -12.279 -2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.577 -15.577 -5.057 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.999 -13.755 -4.206 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.313 -17.542 -1.660 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.979 -18.816 -1.855 1.00 0.00 C ATOM 1006 C GLY A 70 -9.610 -19.832 -0.792 1.00 0.00 C ATOM 1007 O GLY A 70 -9.622 -21.036 -1.045 1.00 0.00 O ATOM 0 H GLY A 70 -8.389 -17.471 -2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.058 -18.663 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.719 -19.212 -2.837 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.279 -19.345 0.400 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.903 -20.221 1.504 1.00 0.00 C ATOM 1013 C GLU A 71 -9.593 -19.794 2.796 1.00 0.00 C ATOM 1014 O GLU A 71 -10.067 -20.631 3.565 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.385 -20.211 1.696 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.654 -21.216 0.821 1.00 0.00 C ATOM 1017 CD GLU A 71 -6.843 -22.645 1.291 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -8.001 -23.110 1.328 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -5.832 -23.299 1.622 1.00 0.00 O ATOM 0 H GLU A 71 -9.264 -18.350 0.626 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.225 -21.233 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.007 -19.212 1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.158 -20.419 2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.010 -21.125 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.590 -20.978 0.812 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.644 -18.487 3.029 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.276 -17.948 4.228 1.00 0.00 C ATOM 1028 C LEU A 72 -11.781 -17.800 4.031 1.00 0.00 C ATOM 1029 O LEU A 72 -12.574 -18.449 4.714 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.661 -16.594 4.587 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.312 -16.639 5.304 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.215 -17.086 4.351 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -7.980 -15.279 5.901 1.00 0.00 C ATOM 0 H LEU A 72 -9.255 -17.781 2.404 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.103 -18.647 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.543 -16.016 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.367 -16.052 5.217 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.378 -17.364 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.262 -17.112 4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.446 -18.081 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.149 -16.386 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.016 -15.330 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.934 -14.534 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.752 -14.998 6.617 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.168 -16.943 3.092 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.579 -16.710 2.804 1.00 0.00 C ATOM 1047 C PHE A 73 -14.194 -17.911 2.091 1.00 0.00 C ATOM 1048 O PHE A 73 -15.296 -18.345 2.422 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.746 -15.453 1.948 1.00 0.00 C ATOM 1050 CG PHE A 73 -12.844 -14.324 2.357 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.048 -13.656 3.554 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.791 -13.932 1.547 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.220 -12.616 3.933 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -10.959 -12.894 1.920 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.173 -12.235 3.116 1.00 0.00 C ATOM 0 H PHE A 73 -11.525 -16.398 2.518 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.099 -16.567 3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.550 -15.704 0.906 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.782 -15.119 2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -13.863 -13.951 4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.618 -14.444 0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.391 -12.102 4.867 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.143 -12.598 1.278 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.523 -11.424 3.411 1.00 0.00 H new