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 -173:sc= 1.71 USER MOD Set 1.2: A 47 CYS SG : rot 180:sc= -0.177 USER MOD Set 1.3: A 65 CYS SG : rot -133:sc= -3.87! USER MOD Set 1.4: A 68 CYS SG : rot 173:sc= 1.14 USER MOD Set 2.1: A 18 CYS SG : rot 171:sc= -0.806 USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0.0044 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -5.06! C(o=-6.9!,f=-9!) USER MOD Set 2.4: A 41 CYS SG : rot -159:sc= -1.01 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -1:sc= -0.0757! USER MOD Single : A 32 TYR OH : rot 167:sc= -0.411 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -140:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.65 K(o=-2.7,f=-5.4!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 54 GLN : amide:sc= -0.664 K(o=-0.66,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 4.162 11.459 -2.550 1.00 0.00 N ATOM 194 CA PRO A 16 3.315 10.386 -2.021 1.00 0.00 C ATOM 195 C PRO A 16 3.821 9.853 -0.685 1.00 0.00 C ATOM 196 O PRO A 16 4.988 10.031 -0.337 1.00 0.00 O ATOM 197 CB PRO A 16 3.404 9.301 -3.098 1.00 0.00 C ATOM 198 CG PRO A 16 4.707 9.548 -3.777 1.00 0.00 C ATOM 199 CD PRO A 16 4.916 11.036 -3.742 1.00 0.00 C ATOM 0 HA PRO A 16 2.299 10.728 -1.824 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.369 8.304 -2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.573 9.370 -3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.518 9.028 -3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.688 9.180 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.973 11.291 -3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.541 11.516 -4.646 1.00 0.00 H new ATOM 207 N ARG A 17 2.935 9.199 0.059 1.00 0.00 N ATOM 208 CA ARG A 17 3.292 8.641 1.358 1.00 0.00 C ATOM 209 C ARG A 17 2.499 7.369 1.640 1.00 0.00 C ATOM 210 O ARG A 17 1.302 7.295 1.358 1.00 0.00 O ATOM 211 CB ARG A 17 3.040 9.668 2.464 1.00 0.00 C ATOM 212 CG ARG A 17 3.714 11.007 2.218 1.00 0.00 C ATOM 213 CD ARG A 17 3.917 11.776 3.514 1.00 0.00 C ATOM 214 NE ARG A 17 4.322 13.158 3.273 1.00 0.00 N ATOM 215 CZ ARG A 17 5.004 13.888 4.149 1.00 0.00 C ATOM 216 NH1 ARG A 17 5.355 13.369 5.318 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.336 15.139 3.857 1.00 0.00 N ATOM 0 H ARG A 17 1.965 9.043 -0.215 1.00 0.00 H new ATOM 0 HA ARG A 17 4.353 8.390 1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.966 9.825 2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.393 9.262 3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.678 10.847 1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.108 11.600 1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.992 11.765 4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.675 11.276 4.117 1.00 0.00 H new ATOM 0 HE ARG A 17 4.067 13.587 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.101 12.408 5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.879 13.931 5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.068 15.542 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.860 15.698 4.531 1.00 0.00 H new ATOM 231 N CYS A 18 3.173 6.369 2.198 1.00 0.00 N ATOM 232 CA CYS A 18 2.533 5.099 2.517 1.00 0.00 C ATOM 233 C CYS A 18 1.241 5.322 3.298 1.00 0.00 C ATOM 234 O CYS A 18 1.229 6.017 4.313 1.00 0.00 O ATOM 235 CB CYS A 18 3.484 4.214 3.326 1.00 0.00 C ATOM 236 SG CYS A 18 2.835 2.547 3.672 1.00 0.00 S ATOM 0 H CYS A 18 4.163 6.414 2.439 1.00 0.00 H new ATOM 0 HA CYS A 18 2.289 4.598 1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.425 4.121 2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.708 4.709 4.271 1.00 0.00 H new ATOM 0 HG CYS A 18 3.778 1.811 4.180 1.00 0.00 H new ATOM 241 N ALA A 19 0.155 4.726 2.816 1.00 0.00 N ATOM 242 CA ALA A 19 -1.142 4.857 3.469 1.00 0.00 C ATOM 243 C ALA A 19 -1.125 4.223 4.855 1.00 0.00 C ATOM 244 O ALA A 19 -2.018 4.463 5.669 1.00 0.00 O ATOM 245 CB ALA A 19 -2.231 4.229 2.612 1.00 0.00 C ATOM 0 H ALA A 19 0.148 4.148 1.976 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.356 5.919 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.194 4.334 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.268 4.731 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.013 3.171 2.464 1.00 0.00 H new ATOM 251 N ARG A 20 -0.105 3.412 5.117 1.00 0.00 N ATOM 252 CA ARG A 20 0.026 2.741 6.405 1.00 0.00 C ATOM 253 C ARG A 20 0.887 3.563 7.361 1.00 0.00 C ATOM 254 O ARG A 20 0.464 3.890 8.470 1.00 0.00 O ATOM 255 CB ARG A 20 0.635 1.350 6.220 1.00 0.00 C ATOM 256 CG ARG A 20 1.005 0.669 7.528 1.00 0.00 C ATOM 257 CD ARG A 20 -0.230 0.326 8.346 1.00 0.00 C ATOM 258 NE ARG A 20 0.097 -0.483 9.517 1.00 0.00 N ATOM 259 CZ ARG A 20 0.156 -1.810 9.501 1.00 0.00 C ATOM 260 NH1 ARG A 20 -0.089 -2.474 8.380 1.00 0.00 N ATOM 261 NH2 ARG A 20 0.461 -2.476 10.608 1.00 0.00 N ATOM 0 H ARG A 20 0.642 3.204 4.455 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.970 2.639 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.073 0.721 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.526 1.432 5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.569 -0.240 7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.657 1.322 8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.720 1.246 8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.941 -0.213 7.720 1.00 0.00 H new ATOM 0 HE ARG A 20 0.291 -0.003 10.396 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.323 -1.966 7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.043 -3.493 8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.650 -1.969 11.472 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.506 -3.495 10.594 1.00 0.00 H new ATOM 275 N CYS A 21 2.098 3.892 6.923 1.00 0.00 N ATOM 276 CA CYS A 21 3.020 4.673 7.738 1.00 0.00 C ATOM 277 C CYS A 21 2.897 6.161 7.423 1.00 0.00 C ATOM 278 O CYS A 21 2.924 7.001 8.322 1.00 0.00 O ATOM 279 CB CYS A 21 4.459 4.209 7.506 1.00 0.00 C ATOM 280 SG CYS A 21 4.628 2.412 7.254 1.00 0.00 S ATOM 0 H CYS A 21 2.463 3.629 6.008 1.00 0.00 H new ATOM 0 HA CYS A 21 2.760 4.518 8.785 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.861 4.727 6.635 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.067 4.504 8.361 1.00 0.00 H new ATOM 0 HG CYS A 21 5.880 2.116 7.064 1.00 0.00 H new ATOM 285 N SER A 22 2.761 6.479 6.140 1.00 0.00 N ATOM 286 CA SER A 22 2.637 7.866 5.705 1.00 0.00 C ATOM 287 C SER A 22 3.969 8.598 5.837 1.00 0.00 C ATOM 288 O SER A 22 4.025 9.728 6.321 1.00 0.00 O ATOM 289 CB SER A 22 1.564 8.586 6.523 1.00 0.00 C ATOM 290 OG SER A 22 1.004 9.664 5.794 1.00 0.00 O ATOM 0 H SER A 22 2.734 5.796 5.383 1.00 0.00 H new ATOM 0 HA SER A 22 2.344 7.866 4.655 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.779 7.882 6.798 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.998 8.957 7.451 1.00 0.00 H new ATOM 0 HG SER A 22 0.320 10.107 6.338 1.00 0.00 H new ATOM 296 N LYS A 23 5.042 7.944 5.403 1.00 0.00 N ATOM 297 CA LYS A 23 6.375 8.530 5.470 1.00 0.00 C ATOM 298 C LYS A 23 6.732 9.224 4.159 1.00 0.00 C ATOM 299 O LYS A 23 6.717 10.452 4.070 1.00 0.00 O ATOM 300 CB LYS A 23 7.413 7.452 5.788 1.00 0.00 C ATOM 301 CG LYS A 23 7.232 6.816 7.155 1.00 0.00 C ATOM 302 CD LYS A 23 8.349 5.835 7.467 1.00 0.00 C ATOM 303 CE LYS A 23 9.634 6.555 7.846 1.00 0.00 C ATOM 304 NZ LYS A 23 10.833 5.699 7.633 1.00 0.00 N ATOM 0 H LYS A 23 5.014 7.007 5.001 1.00 0.00 H new ATOM 0 HA LYS A 23 6.377 9.274 6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.362 6.675 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.409 7.891 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.206 7.594 7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.273 6.300 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.043 5.181 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.529 5.199 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.728 7.466 7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.585 6.858 8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.688 6.226 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.756 4.842 8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.894 5.430 6.630 1.00 0.00 H new ATOM 318 N THR A 24 7.051 8.429 3.142 1.00 0.00 N ATOM 319 CA THR A 24 7.411 8.966 1.836 1.00 0.00 C ATOM 320 C THR A 24 7.596 7.850 0.814 1.00 0.00 C ATOM 321 O THR A 24 8.017 6.745 1.157 1.00 0.00 O ATOM 322 CB THR A 24 8.704 9.800 1.908 1.00 0.00 C ATOM 323 OG1 THR A 24 9.567 9.279 2.925 1.00 0.00 O ATOM 324 CG2 THR A 24 8.390 11.260 2.201 1.00 0.00 C ATOM 0 H THR A 24 7.067 7.411 3.198 1.00 0.00 H new ATOM 0 HA THR A 24 6.589 9.610 1.522 1.00 0.00 H new ATOM 0 HB THR A 24 9.204 9.739 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.387 9.814 2.963 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.318 11.830 2.247 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.757 11.662 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.870 11.336 3.156 1.00 0.00 H new ATOM 332 N LEU A 25 7.279 8.146 -0.441 1.00 0.00 N ATOM 333 CA LEU A 25 7.411 7.166 -1.514 1.00 0.00 C ATOM 334 C LEU A 25 8.076 7.787 -2.739 1.00 0.00 C ATOM 335 O LEU A 25 7.646 7.566 -3.872 1.00 0.00 O ATOM 336 CB LEU A 25 6.039 6.607 -1.894 1.00 0.00 C ATOM 337 CG LEU A 25 5.373 5.702 -0.857 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.861 5.853 -0.908 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.774 4.251 -1.080 1.00 0.00 C ATOM 0 H LEU A 25 6.929 9.056 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 25 8.040 6.352 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.372 7.444 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.142 6.047 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 25 5.714 6.005 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.405 5.201 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.591 6.888 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.501 5.578 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.291 3.621 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.463 3.936 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.856 4.155 -0.991 1.00 0.00 H new ATOM 396 N VAL A 30 4.179 1.488 -4.844 1.00 0.00 N ATOM 397 CA VAL A 30 2.952 0.849 -5.304 1.00 0.00 C ATOM 398 C VAL A 30 1.722 1.549 -4.737 1.00 0.00 C ATOM 399 O VAL A 30 1.834 2.458 -3.914 1.00 0.00 O ATOM 400 CB VAL A 30 2.911 -0.638 -4.908 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.932 -1.433 -5.707 1.00 0.00 C ATOM 402 CG2 VAL A 30 3.149 -0.798 -3.414 1.00 0.00 C ATOM 0 HA VAL A 30 2.943 0.928 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 30 1.921 -1.030 -5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.888 -2.482 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.710 -1.345 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.931 -1.043 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.117 -1.855 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.126 -0.390 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.375 -0.264 -2.863 1.00 0.00 H new ATOM 412 N THR A 31 0.545 1.120 -5.183 1.00 0.00 N ATOM 413 CA THR A 31 -0.707 1.705 -4.721 1.00 0.00 C ATOM 414 C THR A 31 -1.774 0.634 -4.520 1.00 0.00 C ATOM 415 O THR A 31 -2.014 -0.190 -5.403 1.00 0.00 O ATOM 416 CB THR A 31 -1.235 2.759 -5.714 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.364 3.437 -5.153 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.629 2.110 -7.032 1.00 0.00 C ATOM 0 H THR A 31 0.433 0.369 -5.864 1.00 0.00 H new ATOM 0 HA THR A 31 -0.497 2.188 -3.767 1.00 0.00 H new ATOM 0 HB THR A 31 -0.439 3.478 -5.906 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.558 3.070 -4.265 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.999 2.873 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.760 1.619 -7.470 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.411 1.372 -6.855 1.00 0.00 H new ATOM 426 N TYR A 32 -2.410 0.652 -3.355 1.00 0.00 N ATOM 427 CA TYR A 32 -3.451 -0.319 -3.037 1.00 0.00 C ATOM 428 C TYR A 32 -4.765 0.380 -2.704 1.00 0.00 C ATOM 429 O TYR A 32 -4.841 1.166 -1.760 1.00 0.00 O ATOM 430 CB TYR A 32 -3.016 -1.198 -1.863 1.00 0.00 C ATOM 431 CG TYR A 32 -4.165 -1.892 -1.168 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.709 -3.062 -1.682 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.708 -1.376 0.003 1.00 0.00 C ATOM 434 CE1 TYR A 32 -5.760 -3.699 -1.050 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.757 -2.007 0.642 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.280 -3.168 0.112 1.00 0.00 C ATOM 437 OH TYR A 32 -7.327 -3.799 0.744 1.00 0.00 O ATOM 0 H TYR A 32 -2.224 1.328 -2.614 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.607 -0.947 -3.914 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.313 -1.949 -2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.482 -0.584 -1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.304 -3.481 -2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.303 -0.466 0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.172 -4.608 -1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.166 -1.594 1.552 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.440 -3.425 1.643 1.00 0.00 H new ATOM 447 N ARG A 33 -5.799 0.086 -3.486 1.00 0.00 N ATOM 448 CA ARG A 33 -7.111 0.686 -3.276 1.00 0.00 C ATOM 449 C ARG A 33 -7.061 2.195 -3.496 1.00 0.00 C ATOM 450 O ARG A 33 -7.456 2.973 -2.628 1.00 0.00 O ATOM 451 CB ARG A 33 -7.613 0.383 -1.863 1.00 0.00 C ATOM 452 CG ARG A 33 -8.446 -0.885 -1.771 1.00 0.00 C ATOM 453 CD ARG A 33 -8.974 -1.105 -0.362 1.00 0.00 C ATOM 454 NE ARG A 33 -10.212 -1.879 -0.356 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.419 -1.336 -0.471 1.00 0.00 C ATOM 456 NH1 ARG A 33 -11.549 -0.023 -0.600 1.00 0.00 N ATOM 457 NH2 ARG A 33 -12.499 -2.108 -0.456 1.00 0.00 N ATOM 0 H ARG A 33 -5.753 -0.564 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.801 0.253 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.757 0.295 -1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.208 1.225 -1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.282 -0.824 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.842 -1.741 -2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.220 -1.623 0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.147 -0.140 0.115 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.147 -2.892 -0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.721 0.573 -0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.477 0.391 -0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.402 -3.118 -0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.425 -1.691 -0.544 1.00 0.00 H new ATOM 471 N ASP A 34 -6.572 2.601 -4.663 1.00 0.00 N ATOM 472 CA ASP A 34 -6.470 4.016 -4.998 1.00 0.00 C ATOM 473 C ASP A 34 -5.713 4.779 -3.915 1.00 0.00 C ATOM 474 O ASP A 34 -6.062 5.910 -3.580 1.00 0.00 O ATOM 475 CB ASP A 34 -7.863 4.620 -5.184 1.00 0.00 C ATOM 476 CG ASP A 34 -7.836 5.901 -5.994 1.00 0.00 C ATOM 477 OD1 ASP A 34 -6.802 6.601 -5.963 1.00 0.00 O ATOM 478 OD2 ASP A 34 -8.848 6.203 -6.661 1.00 0.00 O ATOM 0 H ASP A 34 -6.240 1.970 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.916 4.103 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.507 3.894 -5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.302 4.821 -4.207 1.00 0.00 H new ATOM 483 N GLN A 35 -4.675 4.150 -3.372 1.00 0.00 N ATOM 484 CA GLN A 35 -3.870 4.769 -2.325 1.00 0.00 C ATOM 485 C GLN A 35 -2.433 4.260 -2.372 1.00 0.00 C ATOM 486 O GLN A 35 -2.170 3.095 -2.671 1.00 0.00 O ATOM 487 CB GLN A 35 -4.479 4.487 -0.950 1.00 0.00 C ATOM 488 CG GLN A 35 -5.766 5.253 -0.686 1.00 0.00 C ATOM 489 CD GLN A 35 -6.011 5.491 0.790 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.164 4.547 1.566 1.00 0.00 O ATOM 491 NE2 GLN A 35 -6.049 6.757 1.188 1.00 0.00 N ATOM 0 H GLN A 35 -4.372 3.213 -3.639 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.861 5.845 -2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.677 3.419 -0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.750 4.741 -0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.726 6.212 -1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.606 4.699 -1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.917 7.509 0.511 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.210 6.978 2.171 1.00 0.00 H new ATOM 500 N PRO A 36 -1.479 5.153 -2.069 1.00 0.00 N ATOM 501 CA PRO A 36 -0.052 4.818 -2.069 1.00 0.00 C ATOM 502 C PRO A 36 0.323 3.882 -0.925 1.00 0.00 C ATOM 503 O PRO A 36 0.009 4.148 0.235 1.00 0.00 O ATOM 504 CB PRO A 36 0.631 6.176 -1.895 1.00 0.00 C ATOM 505 CG PRO A 36 -0.380 7.024 -1.204 1.00 0.00 C ATOM 506 CD PRO A 36 -1.720 6.559 -1.703 1.00 0.00 C ATOM 0 HA PRO A 36 0.243 4.291 -2.976 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.543 6.087 -1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.914 6.603 -2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.307 6.915 -0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.224 8.079 -1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.488 6.648 -0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.056 7.145 -2.559 1.00 0.00 H new ATOM 514 N TRP A 37 0.997 2.787 -1.259 1.00 0.00 N ATOM 515 CA TRP A 37 1.415 1.812 -0.259 1.00 0.00 C ATOM 516 C TRP A 37 2.882 1.440 -0.442 1.00 0.00 C ATOM 517 O TRP A 37 3.400 1.449 -1.559 1.00 0.00 O ATOM 518 CB TRP A 37 0.544 0.558 -0.343 1.00 0.00 C ATOM 519 CG TRP A 37 -0.743 0.677 0.416 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.808 1.472 0.103 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.099 -0.021 1.614 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.805 1.311 1.036 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.395 0.400 1.972 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.450 -0.962 2.418 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.050 -0.088 3.100 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.102 -1.444 3.537 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.391 -1.008 3.869 1.00 0.00 C ATOM 0 H TRP A 37 1.265 2.552 -2.215 1.00 0.00 H new ATOM 0 HA TRP A 37 1.294 2.264 0.725 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.322 0.348 -1.389 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.107 -0.293 0.041 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.860 2.130 -0.752 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.704 1.792 1.031 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.543 -1.306 2.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.043 0.248 3.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.609 -2.170 4.167 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.874 -1.406 4.749 1.00 0.00 H new ATOM 538 N HIS A 38 3.548 1.113 0.662 1.00 0.00 N ATOM 539 CA HIS A 38 4.957 0.737 0.622 1.00 0.00 C ATOM 540 C HIS A 38 5.128 -0.664 0.043 1.00 0.00 C ATOM 541 O HIS A 38 4.647 -1.644 0.612 1.00 0.00 O ATOM 542 CB HIS A 38 5.563 0.801 2.024 1.00 0.00 C ATOM 543 CG HIS A 38 6.151 2.136 2.362 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.037 2.714 3.609 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.862 3.007 1.609 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.651 3.884 3.607 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.161 4.085 2.405 1.00 0.00 N ATOM 0 H HIS A 38 3.135 1.101 1.594 1.00 0.00 H new ATOM 0 HA HIS A 38 5.479 1.444 -0.023 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.793 0.557 2.755 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.338 0.039 2.111 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.142 2.878 0.574 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.724 4.561 4.445 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.691 4.907 2.115 1.00 0.00 H new ATOM 555 N ARG A 39 5.816 -0.751 -1.091 1.00 0.00 N ATOM 556 CA ARG A 39 6.049 -2.032 -1.747 1.00 0.00 C ATOM 557 C ARG A 39 6.246 -3.142 -0.718 1.00 0.00 C ATOM 558 O ARG A 39 5.830 -4.280 -0.932 1.00 0.00 O ATOM 559 CB ARG A 39 7.273 -1.946 -2.660 1.00 0.00 C ATOM 560 CG ARG A 39 7.008 -1.217 -3.967 1.00 0.00 C ATOM 561 CD ARG A 39 7.895 -1.739 -5.087 1.00 0.00 C ATOM 562 NE ARG A 39 7.769 -3.185 -5.255 1.00 0.00 N ATOM 563 CZ ARG A 39 8.728 -3.951 -5.764 1.00 0.00 C ATOM 564 NH1 ARG A 39 9.876 -3.413 -6.151 1.00 0.00 N ATOM 565 NH2 ARG A 39 8.538 -5.259 -5.885 1.00 0.00 N ATOM 0 H ARG A 39 6.222 0.050 -1.574 1.00 0.00 H new ATOM 0 HA ARG A 39 5.171 -2.269 -2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.078 -1.439 -2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.623 -2.955 -2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.961 -1.336 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.182 -0.150 -3.831 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.632 -1.241 -6.020 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.934 -1.488 -4.874 1.00 0.00 H new ATOM 0 HE ARG A 39 6.898 -3.630 -4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.025 -2.408 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.610 -4.004 -6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.656 -5.676 -5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.274 -5.847 -6.276 1.00 0.00 H new ATOM 579 N GLU A 40 6.884 -2.801 0.397 1.00 0.00 N ATOM 580 CA GLU A 40 7.136 -3.770 1.458 1.00 0.00 C ATOM 581 C GLU A 40 5.889 -3.979 2.312 1.00 0.00 C ATOM 582 O GLU A 40 5.505 -5.112 2.603 1.00 0.00 O ATOM 583 CB GLU A 40 8.299 -3.305 2.337 1.00 0.00 C ATOM 584 CG GLU A 40 9.601 -3.120 1.577 1.00 0.00 C ATOM 585 CD GLU A 40 10.821 -3.253 2.468 1.00 0.00 C ATOM 586 OE1 GLU A 40 11.269 -4.396 2.694 1.00 0.00 O ATOM 587 OE2 GLU A 40 11.327 -2.213 2.939 1.00 0.00 O ATOM 0 H GLU A 40 7.235 -1.863 0.589 1.00 0.00 H new ATOM 0 HA GLU A 40 7.399 -4.720 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.029 -2.362 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.454 -4.032 3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.658 -3.858 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.606 -2.137 1.105 1.00 0.00 H new ATOM 594 N CYS A 41 5.262 -2.878 2.712 1.00 0.00 N ATOM 595 CA CYS A 41 4.060 -2.938 3.534 1.00 0.00 C ATOM 596 C CYS A 41 2.958 -3.726 2.830 1.00 0.00 C ATOM 597 O CYS A 41 2.383 -4.654 3.400 1.00 0.00 O ATOM 598 CB CYS A 41 3.566 -1.526 3.856 1.00 0.00 C ATOM 599 SG CYS A 41 4.577 -0.648 5.091 1.00 0.00 S ATOM 0 H CYS A 41 5.567 -1.933 2.480 1.00 0.00 H new ATOM 0 HA CYS A 41 4.311 -3.449 4.464 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.546 -0.941 2.936 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.540 -1.586 4.218 1.00 0.00 H new ATOM 0 HG CYS A 41 3.878 0.311 5.622 1.00 0.00 H new ATOM 604 N LEU A 42 2.670 -3.349 1.589 1.00 0.00 N ATOM 605 CA LEU A 42 1.638 -4.020 0.806 1.00 0.00 C ATOM 606 C LEU A 42 1.850 -5.530 0.808 1.00 0.00 C ATOM 607 O LEU A 42 2.635 -6.059 0.020 1.00 0.00 O ATOM 608 CB LEU A 42 1.638 -3.494 -0.630 1.00 0.00 C ATOM 609 CG LEU A 42 0.509 -4.000 -1.530 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.843 -3.575 -0.979 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.692 -3.491 -2.952 1.00 0.00 C ATOM 0 H LEU A 42 3.136 -2.583 1.104 1.00 0.00 H new ATOM 0 HA LEU A 42 0.672 -3.807 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.589 -2.406 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.590 -3.757 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 42 0.545 -5.089 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.634 -3.944 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.975 -3.989 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.890 -2.487 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.120 -3.861 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.683 -2.401 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.644 -3.846 -3.346 1.00 0.00 H new ATOM 623 N VAL A 43 1.142 -6.221 1.696 1.00 0.00 N ATOM 624 CA VAL A 43 1.249 -7.672 1.797 1.00 0.00 C ATOM 625 C VAL A 43 -0.050 -8.285 2.308 1.00 0.00 C ATOM 626 O VAL A 43 -0.795 -7.652 3.056 1.00 0.00 O ATOM 627 CB VAL A 43 2.402 -8.085 2.732 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.717 -7.491 2.253 1.00 0.00 C ATOM 629 CG2 VAL A 43 2.105 -7.661 4.163 1.00 0.00 C ATOM 0 H VAL A 43 0.488 -5.799 2.356 1.00 0.00 H new ATOM 0 HA VAL A 43 1.453 -8.045 0.793 1.00 0.00 H new ATOM 0 HB VAL A 43 2.493 -9.171 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.519 -7.794 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.933 -7.849 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.643 -6.404 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.930 -7.961 4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.986 -6.578 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.186 -8.140 4.501 1.00 0.00 H new ATOM 639 N CYS A 44 -0.315 -9.521 1.899 1.00 0.00 N ATOM 640 CA CYS A 44 -1.524 -10.221 2.314 1.00 0.00 C ATOM 641 C CYS A 44 -1.765 -10.050 3.812 1.00 0.00 C ATOM 642 O CYS A 44 -0.846 -9.735 4.568 1.00 0.00 O ATOM 643 CB CYS A 44 -1.422 -11.708 1.970 1.00 0.00 C ATOM 644 SG CYS A 44 -2.981 -12.628 2.174 1.00 0.00 S ATOM 0 H CYS A 44 0.292 -10.059 1.280 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.367 -9.787 1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.086 -11.809 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.658 -12.164 2.600 1.00 0.00 H new ATOM 0 HG CYS A 44 -2.762 -13.898 2.001 1.00 0.00 H new ATOM 649 N THR A 45 -3.008 -10.260 4.233 1.00 0.00 N ATOM 650 CA THR A 45 -3.371 -10.128 5.639 1.00 0.00 C ATOM 651 C THR A 45 -3.363 -11.483 6.338 1.00 0.00 C ATOM 652 O THR A 45 -3.479 -11.562 7.560 1.00 0.00 O ATOM 653 CB THR A 45 -4.762 -9.486 5.803 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.880 -8.348 4.942 1.00 0.00 O ATOM 655 CG2 THR A 45 -4.997 -9.065 7.245 1.00 0.00 C ATOM 0 H THR A 45 -3.780 -10.522 3.621 1.00 0.00 H new ATOM 0 HA THR A 45 -2.624 -9.480 6.099 1.00 0.00 H new ATOM 0 HB THR A 45 -5.514 -10.226 5.531 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.355 -7.631 5.411 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.985 -8.614 7.336 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.935 -9.939 7.894 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.239 -8.340 7.540 1.00 0.00 H new ATOM 663 N GLY A 46 -3.226 -12.548 5.553 1.00 0.00 N ATOM 664 CA GLY A 46 -3.205 -13.885 6.116 1.00 0.00 C ATOM 665 C GLY A 46 -1.817 -14.494 6.112 1.00 0.00 C ATOM 666 O GLY A 46 -1.292 -14.867 7.162 1.00 0.00 O ATOM 0 H GLY A 46 -3.129 -12.508 4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.581 -13.851 7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.881 -14.525 5.549 1.00 0.00 H new ATOM 670 N CYS A 47 -1.221 -14.598 4.929 1.00 0.00 N ATOM 671 CA CYS A 47 0.113 -15.168 4.792 1.00 0.00 C ATOM 672 C CYS A 47 1.177 -14.074 4.817 1.00 0.00 C ATOM 673 O CYS A 47 2.357 -14.347 5.037 1.00 0.00 O ATOM 674 CB CYS A 47 0.218 -15.967 3.492 1.00 0.00 C ATOM 675 SG CYS A 47 -0.072 -14.982 1.987 1.00 0.00 S ATOM 0 H CYS A 47 -1.642 -14.294 4.051 1.00 0.00 H new ATOM 0 HA CYS A 47 0.284 -15.836 5.636 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.209 -16.416 3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.502 -16.785 3.522 1.00 0.00 H new ATOM 0 HG CYS A 47 0.040 -15.745 0.941 1.00 0.00 H new ATOM 680 N GLN A 48 0.751 -12.836 4.589 1.00 0.00 N ATOM 681 CA GLN A 48 1.667 -11.702 4.584 1.00 0.00 C ATOM 682 C GLN A 48 2.633 -11.787 3.408 1.00 0.00 C ATOM 683 O GLN A 48 3.850 -11.707 3.582 1.00 0.00 O ATOM 684 CB GLN A 48 2.448 -11.645 5.898 1.00 0.00 C ATOM 685 CG GLN A 48 1.561 -11.600 7.132 1.00 0.00 C ATOM 686 CD GLN A 48 0.425 -10.605 6.998 1.00 0.00 C ATOM 687 OE1 GLN A 48 -0.743 -10.951 7.173 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.763 -9.359 6.685 1.00 0.00 N ATOM 0 H GLN A 48 -0.222 -12.593 4.405 1.00 0.00 H new ATOM 0 HA GLN A 48 1.077 -10.791 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.100 -12.516 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.091 -10.765 5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.150 -12.593 7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.166 -11.340 8.001 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.744 -9.116 6.549 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.041 -8.646 6.581 1.00 0.00 H new ATOM 697 N THR A 49 2.084 -11.950 2.208 1.00 0.00 N ATOM 698 CA THR A 49 2.897 -12.048 1.002 1.00 0.00 C ATOM 699 C THR A 49 2.849 -10.753 0.200 1.00 0.00 C ATOM 700 O THR A 49 1.811 -10.098 0.095 1.00 0.00 O ATOM 701 CB THR A 49 2.434 -13.212 0.105 1.00 0.00 C ATOM 702 OG1 THR A 49 3.378 -13.421 -0.951 1.00 0.00 O ATOM 703 CG2 THR A 49 1.061 -12.928 -0.484 1.00 0.00 C ATOM 0 H THR A 49 1.079 -12.017 2.046 1.00 0.00 H new ATOM 0 HA THR A 49 3.921 -12.234 1.326 1.00 0.00 H new ATOM 0 HB THR A 49 2.370 -14.111 0.718 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.078 -14.163 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.755 -13.764 -1.114 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.339 -12.798 0.322 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.103 -12.019 -1.083 1.00 0.00 H new ATOM 711 N PRO A 50 3.996 -10.373 -0.381 1.00 0.00 N ATOM 712 CA PRO A 50 4.110 -9.152 -1.186 1.00 0.00 C ATOM 713 C PRO A 50 3.360 -9.259 -2.510 1.00 0.00 C ATOM 714 O PRO A 50 3.826 -9.908 -3.448 1.00 0.00 O ATOM 715 CB PRO A 50 5.615 -9.028 -1.432 1.00 0.00 C ATOM 716 CG PRO A 50 6.133 -10.421 -1.324 1.00 0.00 C ATOM 717 CD PRO A 50 5.271 -11.105 -0.298 1.00 0.00 C ATOM 0 HA PRO A 50 3.675 -8.289 -0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.822 -8.604 -2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.084 -8.373 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.078 -10.933 -2.284 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.180 -10.426 -1.020 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.142 -12.164 -0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.706 -11.042 0.699 1.00 0.00 H new ATOM 725 N LEU A 51 2.199 -8.619 -2.580 1.00 0.00 N ATOM 726 CA LEU A 51 1.385 -8.642 -3.791 1.00 0.00 C ATOM 727 C LEU A 51 1.862 -7.590 -4.787 1.00 0.00 C ATOM 728 O LEU A 51 1.156 -7.259 -5.740 1.00 0.00 O ATOM 729 CB LEU A 51 -0.086 -8.403 -3.444 1.00 0.00 C ATOM 730 CG LEU A 51 -0.618 -9.153 -2.223 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.749 -8.374 -1.569 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.086 -10.547 -2.615 1.00 0.00 C ATOM 0 H LEU A 51 1.799 -8.078 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 51 1.489 -9.625 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.231 -7.335 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.692 -8.679 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 51 0.192 -9.253 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.115 -8.923 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.383 -7.398 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.561 -8.242 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.461 -11.066 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.881 -10.469 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.251 -11.106 -3.037 1.00 0.00 H new ATOM 744 N ALA A 52 3.064 -7.071 -4.562 1.00 0.00 N ATOM 745 CA ALA A 52 3.637 -6.061 -5.443 1.00 0.00 C ATOM 746 C ALA A 52 3.424 -6.425 -6.908 1.00 0.00 C ATOM 747 O ALA A 52 4.172 -7.219 -7.476 1.00 0.00 O ATOM 748 CB ALA A 52 5.120 -5.887 -5.151 1.00 0.00 C ATOM 0 H ALA A 52 3.660 -7.333 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 52 3.127 -5.117 -5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.535 -5.130 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.253 -5.573 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.636 -6.834 -5.312 1.00 0.00 H new ATOM 754 N GLY A 53 2.396 -5.839 -7.515 1.00 0.00 N ATOM 755 CA GLY A 53 2.102 -6.115 -8.909 1.00 0.00 C ATOM 756 C GLY A 53 1.674 -7.551 -9.138 1.00 0.00 C ATOM 757 O GLY A 53 2.040 -8.161 -10.142 1.00 0.00 O ATOM 0 H GLY A 53 1.762 -5.178 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.313 -5.445 -9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.984 -5.901 -9.512 1.00 0.00 H new ATOM 761 N GLN A 54 0.899 -8.092 -8.204 1.00 0.00 N ATOM 762 CA GLN A 54 0.424 -9.467 -8.308 1.00 0.00 C ATOM 763 C GLN A 54 -1.100 -9.513 -8.357 1.00 0.00 C ATOM 764 O GLN A 54 -1.773 -8.602 -7.878 1.00 0.00 O ATOM 765 CB GLN A 54 0.933 -10.296 -7.127 1.00 0.00 C ATOM 766 CG GLN A 54 0.277 -11.662 -7.015 1.00 0.00 C ATOM 767 CD GLN A 54 1.138 -12.665 -6.273 1.00 0.00 C ATOM 768 OE1 GLN A 54 1.716 -13.570 -6.875 1.00 0.00 O ATOM 769 NE2 GLN A 54 1.229 -12.507 -4.957 1.00 0.00 N ATOM 0 H GLN A 54 0.587 -7.600 -7.367 1.00 0.00 H new ATOM 0 HA GLN A 54 0.813 -9.890 -9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.011 -10.427 -7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.760 -9.742 -6.204 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.679 -11.560 -6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.064 -12.041 -8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.733 -11.742 -4.500 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.795 -13.150 -4.404 1.00 0.00 H new ATOM 778 N GLN A 55 -1.635 -10.581 -8.941 1.00 0.00 N ATOM 779 CA GLN A 55 -3.080 -10.745 -9.053 1.00 0.00 C ATOM 780 C GLN A 55 -3.692 -11.119 -7.708 1.00 0.00 C ATOM 781 O GLN A 55 -3.532 -12.243 -7.232 1.00 0.00 O ATOM 782 CB GLN A 55 -3.413 -11.815 -10.094 1.00 0.00 C ATOM 783 CG GLN A 55 -2.799 -13.172 -9.789 1.00 0.00 C ATOM 784 CD GLN A 55 -2.860 -14.119 -10.971 1.00 0.00 C ATOM 785 OE1 GLN A 55 -3.940 -14.519 -11.407 1.00 0.00 O ATOM 786 NE2 GLN A 55 -1.696 -14.483 -11.499 1.00 0.00 N ATOM 0 H GLN A 55 -1.091 -11.344 -9.343 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.505 -9.793 -9.372 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.496 -11.922 -10.160 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.066 -11.480 -11.071 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.760 -13.037 -9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.319 -13.620 -8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.824 -14.128 -11.106 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.674 -15.118 -12.297 1.00 0.00 H new ATOM 795 N PHE A 56 -4.394 -10.169 -7.098 1.00 0.00 N ATOM 796 CA PHE A 56 -5.029 -10.399 -5.805 1.00 0.00 C ATOM 797 C PHE A 56 -6.334 -9.616 -5.694 1.00 0.00 C ATOM 798 O PHE A 56 -6.723 -8.900 -6.617 1.00 0.00 O ATOM 799 CB PHE A 56 -4.083 -10.000 -4.670 1.00 0.00 C ATOM 800 CG PHE A 56 -3.890 -8.516 -4.545 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.785 -7.746 -3.820 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.813 -7.891 -5.153 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.609 -6.380 -3.704 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.632 -6.525 -5.040 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.531 -5.769 -4.313 1.00 0.00 C ATOM 0 H PHE A 56 -4.537 -9.233 -7.478 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.255 -11.462 -5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.473 -10.388 -3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.114 -10.472 -4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.629 -8.218 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.107 -8.478 -5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.315 -5.791 -3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.789 -6.050 -5.519 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.391 -4.702 -4.221 1.00 0.00 H new ATOM 815 N THR A 57 -7.008 -9.758 -4.557 1.00 0.00 N ATOM 816 CA THR A 57 -8.269 -9.067 -4.324 1.00 0.00 C ATOM 817 C THR A 57 -8.304 -8.438 -2.936 1.00 0.00 C ATOM 818 O THR A 57 -7.495 -8.775 -2.071 1.00 0.00 O ATOM 819 CB THR A 57 -9.469 -10.022 -4.472 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.688 -9.324 -4.198 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.335 -11.209 -3.529 1.00 0.00 C ATOM 0 H THR A 57 -6.701 -10.346 -3.783 1.00 0.00 H new ATOM 0 HA THR A 57 -8.343 -8.283 -5.077 1.00 0.00 H new ATOM 0 HB THR A 57 -9.486 -10.392 -5.497 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.446 -9.938 -4.296 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.193 -11.869 -3.651 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.421 -11.756 -3.760 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.295 -10.853 -2.500 1.00 0.00 H new ATOM 829 N SER A 58 -9.245 -7.522 -2.730 1.00 0.00 N ATOM 830 CA SER A 58 -9.382 -6.843 -1.447 1.00 0.00 C ATOM 831 C SER A 58 -10.707 -7.203 -0.781 1.00 0.00 C ATOM 832 O SER A 58 -11.712 -7.429 -1.455 1.00 0.00 O ATOM 833 CB SER A 58 -9.288 -5.328 -1.635 1.00 0.00 C ATOM 834 OG SER A 58 -10.307 -4.857 -2.501 1.00 0.00 O ATOM 0 H SER A 58 -9.923 -7.233 -3.435 1.00 0.00 H new ATOM 0 HA SER A 58 -8.569 -7.173 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.371 -4.833 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.311 -5.069 -2.043 1.00 0.00 H new ATOM 0 HG SER A 58 -10.226 -3.886 -2.603 1.00 0.00 H new ATOM 840 N ARG A 59 -10.700 -7.253 0.547 1.00 0.00 N ATOM 841 CA ARG A 59 -11.900 -7.587 1.305 1.00 0.00 C ATOM 842 C ARG A 59 -12.028 -6.698 2.539 1.00 0.00 C ATOM 843 O ARG A 59 -11.087 -6.568 3.323 1.00 0.00 O ATOM 844 CB ARG A 59 -11.872 -9.058 1.724 1.00 0.00 C ATOM 845 CG ARG A 59 -13.143 -9.517 2.421 1.00 0.00 C ATOM 846 CD ARG A 59 -14.154 -10.069 1.428 1.00 0.00 C ATOM 847 NE ARG A 59 -15.165 -10.897 2.080 1.00 0.00 N ATOM 848 CZ ARG A 59 -15.990 -11.704 1.423 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.924 -11.791 0.101 1.00 0.00 N ATOM 850 NH2 ARG A 59 -16.884 -12.426 2.087 1.00 0.00 N ATOM 0 H ARG A 59 -9.877 -7.067 1.120 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.764 -7.416 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.709 -9.676 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.024 -9.222 2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.899 -10.283 3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.584 -8.681 2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.641 -9.243 0.909 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.635 -10.658 0.672 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.242 -10.853 3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.239 -11.237 -0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.559 -12.412 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.938 -12.362 3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.517 -13.045 1.581 1.00 0.00 H new ATOM 864 N ASP A 60 -13.196 -6.089 2.704 1.00 0.00 N ATOM 865 CA ASP A 60 -13.447 -5.212 3.843 1.00 0.00 C ATOM 866 C ASP A 60 -12.266 -4.278 4.080 1.00 0.00 C ATOM 867 O ASP A 60 -11.898 -4.006 5.223 1.00 0.00 O ATOM 868 CB ASP A 60 -13.720 -6.040 5.100 1.00 0.00 C ATOM 869 CG ASP A 60 -14.716 -5.372 6.028 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.934 -5.537 5.807 1.00 0.00 O ATOM 871 OD2 ASP A 60 -14.278 -4.685 6.974 1.00 0.00 O ATOM 0 H ASP A 60 -13.985 -6.186 2.064 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.325 -4.607 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.098 -7.020 4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.784 -6.204 5.634 1.00 0.00 H new ATOM 876 N GLU A 61 -11.675 -3.790 2.994 1.00 0.00 N ATOM 877 CA GLU A 61 -10.534 -2.888 3.085 1.00 0.00 C ATOM 878 C GLU A 61 -9.283 -3.636 3.539 1.00 0.00 C ATOM 879 O GLU A 61 -8.501 -3.129 4.343 1.00 0.00 O ATOM 880 CB GLU A 61 -10.836 -1.743 4.054 1.00 0.00 C ATOM 881 CG GLU A 61 -12.186 -1.087 3.818 1.00 0.00 C ATOM 882 CD GLU A 61 -12.336 0.224 4.566 1.00 0.00 C ATOM 883 OE1 GLU A 61 -11.350 0.989 4.624 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.438 0.485 5.092 1.00 0.00 O ATOM 0 H GLU A 61 -11.968 -4.005 2.041 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.350 -2.476 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.799 -2.123 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.054 -0.988 3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.318 -0.909 2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.977 -1.770 4.127 1.00 0.00 H new ATOM 891 N ASP A 62 -9.103 -4.844 3.018 1.00 0.00 N ATOM 892 CA ASP A 62 -7.948 -5.663 3.368 1.00 0.00 C ATOM 893 C ASP A 62 -7.459 -6.458 2.161 1.00 0.00 C ATOM 894 O ASP A 62 -8.190 -7.255 1.574 1.00 0.00 O ATOM 895 CB ASP A 62 -8.299 -6.615 4.512 1.00 0.00 C ATOM 896 CG ASP A 62 -8.724 -5.879 5.768 1.00 0.00 C ATOM 897 OD1 ASP A 62 -9.875 -5.398 5.812 1.00 0.00 O ATOM 898 OD2 ASP A 62 -7.905 -5.783 6.706 1.00 0.00 O ATOM 0 H ASP A 62 -9.742 -5.278 2.352 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.147 -4.998 3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.103 -7.279 4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.436 -7.242 4.736 1.00 0.00 H new ATOM 903 N PRO A 63 -6.192 -6.235 1.779 1.00 0.00 N ATOM 904 CA PRO A 63 -5.577 -6.920 0.638 1.00 0.00 C ATOM 905 C PRO A 63 -5.338 -8.401 0.911 1.00 0.00 C ATOM 906 O PRO A 63 -4.513 -8.761 1.751 1.00 0.00 O ATOM 907 CB PRO A 63 -4.246 -6.187 0.460 1.00 0.00 C ATOM 908 CG PRO A 63 -3.937 -5.630 1.807 1.00 0.00 C ATOM 909 CD PRO A 63 -5.263 -5.298 2.432 1.00 0.00 C ATOM 0 HA PRO A 63 -6.215 -6.894 -0.245 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.462 -6.866 0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.326 -5.397 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.390 -6.353 2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.310 -4.742 1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.244 -5.438 3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.545 -4.261 2.250 1.00 0.00 H new ATOM 917 N TYR A 64 -6.063 -9.254 0.197 1.00 0.00 N ATOM 918 CA TYR A 64 -5.930 -10.696 0.364 1.00 0.00 C ATOM 919 C TYR A 64 -5.490 -11.358 -0.938 1.00 0.00 C ATOM 920 O TYR A 64 -6.084 -11.134 -1.994 1.00 0.00 O ATOM 921 CB TYR A 64 -7.255 -11.300 0.834 1.00 0.00 C ATOM 922 CG TYR A 64 -7.526 -11.096 2.307 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.856 -11.844 3.267 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.451 -10.153 2.739 1.00 0.00 C ATOM 925 CE1 TYR A 64 -7.101 -11.660 4.614 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.701 -9.962 4.084 1.00 0.00 C ATOM 927 CZ TYR A 64 -8.024 -10.718 5.018 1.00 0.00 C ATOM 928 OH TYR A 64 -8.269 -10.532 6.359 1.00 0.00 O ATOM 0 H TYR A 64 -6.749 -8.972 -0.503 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.166 -10.879 1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.069 -10.859 0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.254 -12.368 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.131 -12.582 2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.983 -9.559 2.011 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.572 -12.251 5.347 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.423 -9.225 4.403 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.945 -9.831 6.474 1.00 0.00 H new ATOM 938 N CYS A 65 -4.445 -12.174 -0.856 1.00 0.00 N ATOM 939 CA CYS A 65 -3.923 -12.870 -2.026 1.00 0.00 C ATOM 940 C CYS A 65 -4.847 -14.013 -2.436 1.00 0.00 C ATOM 941 O CYS A 65 -5.523 -14.611 -1.599 1.00 0.00 O ATOM 942 CB CYS A 65 -2.521 -13.411 -1.740 1.00 0.00 C ATOM 943 SG CYS A 65 -2.504 -15.043 -0.931 1.00 0.00 S ATOM 0 H CYS A 65 -3.942 -12.370 0.010 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.869 -12.157 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.970 -13.477 -2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.990 -12.699 -1.108 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.671 -15.024 0.067 1.00 0.00 H new ATOM 948 N VAL A 66 -4.871 -14.311 -3.731 1.00 0.00 N ATOM 949 CA VAL A 66 -5.710 -15.383 -4.254 1.00 0.00 C ATOM 950 C VAL A 66 -5.604 -16.635 -3.390 1.00 0.00 C ATOM 951 O VAL A 66 -6.579 -17.364 -3.214 1.00 0.00 O ATOM 952 CB VAL A 66 -5.329 -15.738 -5.703 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.209 -16.863 -6.226 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.431 -14.511 -6.597 1.00 0.00 C ATOM 0 H VAL A 66 -4.319 -13.825 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.737 -15.019 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.295 -16.082 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.925 -17.100 -7.251 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.081 -17.746 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.253 -16.550 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.158 -14.781 -7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.454 -14.134 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.754 -13.738 -6.233 1.00 0.00 H new ATOM 964 N ALA A 67 -4.412 -16.877 -2.854 1.00 0.00 N ATOM 965 CA ALA A 67 -4.179 -18.040 -2.006 1.00 0.00 C ATOM 966 C ALA A 67 -5.027 -17.976 -0.740 1.00 0.00 C ATOM 967 O ALA A 67 -5.541 -18.992 -0.273 1.00 0.00 O ATOM 968 CB ALA A 67 -2.703 -18.145 -1.650 1.00 0.00 C ATOM 0 H ALA A 67 -3.594 -16.284 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.472 -18.930 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.543 -19.017 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.115 -18.246 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.393 -17.247 -1.116 1.00 0.00 H new ATOM 974 N CYS A 68 -5.169 -16.775 -0.189 1.00 0.00 N ATOM 975 CA CYS A 68 -5.954 -16.577 1.023 1.00 0.00 C ATOM 976 C CYS A 68 -7.436 -16.428 0.694 1.00 0.00 C ATOM 977 O CYS A 68 -8.290 -17.058 1.319 1.00 0.00 O ATOM 978 CB CYS A 68 -5.461 -15.342 1.780 1.00 0.00 C ATOM 979 SG CYS A 68 -3.949 -15.622 2.756 1.00 0.00 S ATOM 0 H CYS A 68 -4.750 -15.924 -0.563 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.827 -17.456 1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.276 -14.541 1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.252 -14.998 2.446 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.529 -14.491 3.240 1.00 0.00 H new ATOM 984 N PHE A 69 -7.736 -15.589 -0.293 1.00 0.00 N ATOM 985 CA PHE A 69 -9.115 -15.356 -0.706 1.00 0.00 C ATOM 986 C PHE A 69 -9.871 -16.674 -0.845 1.00 0.00 C ATOM 987 O PHE A 69 -10.935 -16.856 -0.254 1.00 0.00 O ATOM 988 CB PHE A 69 -9.150 -14.593 -2.032 1.00 0.00 C ATOM 989 CG PHE A 69 -10.540 -14.352 -2.549 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.393 -13.477 -1.897 1.00 0.00 C ATOM 991 CD2 PHE A 69 -10.992 -15.003 -3.685 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.673 -13.253 -2.370 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.270 -14.782 -4.163 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.112 -13.908 -3.504 1.00 0.00 C ATOM 0 H PHE A 69 -7.042 -15.060 -0.821 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.602 -14.757 0.063 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.647 -13.634 -1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.585 -15.152 -2.778 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.055 -12.964 -1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.339 -15.690 -4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.328 -12.567 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.610 -15.293 -5.052 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.112 -13.737 -3.875 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.314 -17.589 -1.631 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.950 -18.878 -1.835 1.00 0.00 C ATOM 1006 C GLY A 70 -9.544 -19.896 -0.787 1.00 0.00 C ATOM 1007 O GLY A 70 -9.640 -21.102 -1.015 1.00 0.00 O ATOM 0 H GLY A 70 -8.434 -17.461 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.033 -18.753 -1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.690 -19.256 -2.824 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.089 -19.410 0.364 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.665 -20.287 1.449 1.00 0.00 C ATOM 1013 C GLU A 71 -9.395 -19.943 2.744 1.00 0.00 C ATOM 1014 O GLU A 71 -9.649 -20.813 3.577 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.153 -20.182 1.659 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.705 -20.566 3.058 1.00 0.00 C ATOM 1017 CD GLU A 71 -5.325 -21.194 3.077 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -4.330 -20.440 3.125 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -5.240 -22.440 3.044 1.00 0.00 O ATOM 0 H GLU A 71 -9.005 -18.414 0.569 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.915 -21.311 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.649 -20.824 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.836 -19.160 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.705 -19.679 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.424 -21.264 3.487 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.729 -18.667 2.906 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.430 -18.206 4.099 1.00 0.00 C ATOM 1028 C LEU A 72 -11.938 -18.191 3.874 1.00 0.00 C ATOM 1029 O LEU A 72 -12.687 -18.874 4.572 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.947 -16.807 4.489 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.532 -16.721 5.063 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.499 -17.001 3.982 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.294 -15.356 5.692 1.00 0.00 C ATOM 0 H LEU A 72 -9.526 -17.934 2.227 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.210 -18.900 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.000 -16.168 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.641 -16.396 5.223 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.428 -17.479 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.498 -16.935 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.656 -18.001 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.601 -16.267 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.282 -15.313 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.417 -14.581 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.012 -15.196 6.496 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.377 -17.409 2.893 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.796 -17.306 2.574 1.00 0.00 C ATOM 1047 C PHE A 73 -14.277 -18.545 1.825 1.00 0.00 C ATOM 1048 O PHE A 73 -15.346 -19.082 2.113 1.00 0.00 O ATOM 1049 CB PHE A 73 -14.063 -16.054 1.736 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.314 -14.842 2.213 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.684 -14.199 3.384 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -12.240 -14.347 1.492 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.996 -13.084 3.824 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.548 -13.232 1.928 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.927 -12.601 3.096 1.00 0.00 C ATOM 0 H PHE A 73 -11.770 -16.837 2.305 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.348 -17.232 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.791 -16.255 0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -15.132 -15.839 1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.519 -14.573 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.939 -14.838 0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -13.295 -12.591 4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.713 -12.856 1.356 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.388 -11.731 3.440 1.00 0.00 H new