USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 463 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 67 THR OG1 : rot 120:sc= -0.76 USER MOD Set 1.2: A 70 SER OG : rot 146:sc= 1.3 USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 15 MET CE :methyl -143:sc= -8.99! (180deg=-14.9!) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.199 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 154:sc= -2.52 (180deg=-3.32!) USER MOD Single : A 36 GLN : amide:sc= -0.581 K(o=-0.58,f=-3.2!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.356 K(o=-0.36,f=-2.6!) USER MOD Single : A 44 SER OG : rot -64:sc= -4.32! USER MOD Single : A 46 CYS SG : rot -32:sc= -0.101 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 180:sc= -5.37! USER MOD Single : A 63 MET CE :methyl -174:sc= 0 (180deg=-0.0692) USER MOD Single : A 72 GLN : amide:sc=-0.00254 X(o=-0.0025,f=-0.0026) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= -0.0927 (180deg=-0.13) USER MOD Single : A 80 GLN : amide:sc= -4.12! C(o=-4.1!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.313 -8.912 8.352 1.00 0.00 N ATOM 186 CA MET A 15 8.099 -7.711 8.582 1.00 0.00 C ATOM 187 C MET A 15 7.301 -6.457 8.220 1.00 0.00 C ATOM 188 O MET A 15 6.270 -6.543 7.555 1.00 0.00 O ATOM 189 CB MET A 15 9.374 -7.767 7.740 1.00 0.00 C ATOM 190 CG MET A 15 9.043 -7.852 6.248 1.00 0.00 C ATOM 191 SD MET A 15 9.454 -6.313 5.443 1.00 0.00 S ATOM 192 CE MET A 15 7.814 -5.674 5.142 1.00 0.00 C ATOM 0 HA MET A 15 8.355 -7.663 9.640 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.980 -6.881 7.932 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.970 -8.631 8.034 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.598 -8.671 5.790 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.984 -8.070 6.114 1.00 0.00 H new ATOM 0 HE1 MET A 15 7.794 -5.162 4.180 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.099 -6.497 5.130 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.546 -4.973 5.932 1.00 0.00 H new ATOM 202 N THR A 16 7.809 -5.320 8.673 1.00 0.00 N ATOM 203 CA THR A 16 7.157 -4.050 8.405 1.00 0.00 C ATOM 204 C THR A 16 8.087 -3.130 7.611 1.00 0.00 C ATOM 205 O THR A 16 9.262 -2.989 7.948 1.00 0.00 O ATOM 206 CB THR A 16 6.711 -3.456 9.742 1.00 0.00 C ATOM 207 OG1 THR A 16 5.638 -4.297 10.156 1.00 0.00 O ATOM 208 CG2 THR A 16 6.065 -2.078 9.585 1.00 0.00 C ATOM 0 H THR A 16 8.665 -5.252 9.224 1.00 0.00 H new ATOM 0 HA THR A 16 6.273 -4.183 7.781 1.00 0.00 H new ATOM 0 HB THR A 16 7.570 -3.380 10.409 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.290 -3.984 11.017 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.767 -1.702 10.564 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.780 -1.390 9.135 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.187 -2.159 8.945 1.00 0.00 H new ATOM 216 N GLU A 17 7.527 -2.528 6.573 1.00 0.00 N ATOM 217 CA GLU A 17 8.291 -1.626 5.729 1.00 0.00 C ATOM 218 C GLU A 17 7.592 -0.268 5.634 1.00 0.00 C ATOM 219 O GLU A 17 6.364 -0.195 5.643 1.00 0.00 O ATOM 220 CB GLU A 17 8.510 -2.228 4.339 1.00 0.00 C ATOM 221 CG GLU A 17 9.343 -1.292 3.461 1.00 0.00 C ATOM 222 CD GLU A 17 10.830 -1.392 3.810 1.00 0.00 C ATOM 223 OE1 GLU A 17 11.261 -2.518 4.141 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.501 -0.340 3.739 1.00 0.00 O ATOM 0 H GLU A 17 6.552 -2.647 6.297 1.00 0.00 H new ATOM 0 HA GLU A 17 9.271 -1.478 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.014 -3.190 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.547 -2.416 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.194 -1.544 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.003 -0.265 3.593 1.00 0.00 H new ATOM 231 N GLU A 18 8.405 0.775 5.544 1.00 0.00 N ATOM 232 CA GLU A 18 7.880 2.127 5.448 1.00 0.00 C ATOM 233 C GLU A 18 7.939 2.616 3.999 1.00 0.00 C ATOM 234 O GLU A 18 8.995 3.028 3.522 1.00 0.00 O ATOM 235 CB GLU A 18 8.636 3.076 6.379 1.00 0.00 C ATOM 236 CG GLU A 18 8.043 4.486 6.324 1.00 0.00 C ATOM 237 CD GLU A 18 8.322 5.249 7.620 1.00 0.00 C ATOM 238 OE1 GLU A 18 7.510 5.090 8.558 1.00 0.00 O ATOM 239 OE2 GLU A 18 9.340 5.973 7.645 1.00 0.00 O ATOM 0 H GLU A 18 9.423 0.711 5.536 1.00 0.00 H new ATOM 0 HA GLU A 18 6.837 2.115 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.593 2.699 7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.688 3.109 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.466 5.030 5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.967 4.426 6.158 1.00 0.00 H new ATOM 246 N TYR A 19 6.790 2.556 3.341 1.00 0.00 N ATOM 247 CA TYR A 19 6.698 2.989 1.957 1.00 0.00 C ATOM 248 C TYR A 19 5.927 4.305 1.844 1.00 0.00 C ATOM 249 O TYR A 19 4.773 4.391 2.261 1.00 0.00 O ATOM 250 CB TYR A 19 5.922 1.893 1.224 1.00 0.00 C ATOM 251 CG TYR A 19 6.077 1.932 -0.298 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.280 1.586 -0.878 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.013 2.313 -1.090 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.426 1.624 -2.311 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.159 2.351 -2.522 1.00 0.00 C ATOM 256 CZ TYR A 19 6.358 2.004 -3.062 1.00 0.00 C ATOM 257 OH TYR A 19 6.496 2.039 -4.414 1.00 0.00 O ATOM 0 H TYR A 19 5.916 2.214 3.740 1.00 0.00 H new ATOM 0 HA TYR A 19 7.691 3.150 1.538 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.255 0.921 1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.865 1.982 1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.112 1.287 -0.258 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.071 2.583 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.362 1.357 -2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.335 2.648 -3.153 1.00 0.00 H new ATOM 0 HH TYR A 19 7.150 1.365 -4.694 1.00 0.00 H new ATOM 267 N LYS A 20 6.596 5.299 1.278 1.00 0.00 N ATOM 268 CA LYS A 20 5.988 6.607 1.105 1.00 0.00 C ATOM 269 C LYS A 20 5.394 6.707 -0.301 1.00 0.00 C ATOM 270 O LYS A 20 5.966 6.189 -1.259 1.00 0.00 O ATOM 271 CB LYS A 20 6.995 7.713 1.427 1.00 0.00 C ATOM 272 CG LYS A 20 7.033 7.999 2.930 1.00 0.00 C ATOM 273 CD LYS A 20 7.060 9.505 3.201 1.00 0.00 C ATOM 274 CE LYS A 20 8.143 9.859 4.222 1.00 0.00 C ATOM 275 NZ LYS A 20 9.323 10.440 3.545 1.00 0.00 N ATOM 0 H LYS A 20 7.553 5.225 0.933 1.00 0.00 H new ATOM 0 HA LYS A 20 5.166 6.741 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.987 7.418 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.728 8.621 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.161 7.555 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.913 7.531 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.243 10.042 2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.087 9.829 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.748 10.568 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.436 8.966 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.048 10.675 4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.709 9.751 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.042 11.303 3.038 1.00 0.00 H new ATOM 289 N VAL A 21 4.254 7.377 -0.382 1.00 0.00 N ATOM 290 CA VAL A 21 3.576 7.552 -1.655 1.00 0.00 C ATOM 291 C VAL A 21 3.128 9.008 -1.794 1.00 0.00 C ATOM 292 O VAL A 21 3.005 9.721 -0.799 1.00 0.00 O ATOM 293 CB VAL A 21 2.421 6.557 -1.774 1.00 0.00 C ATOM 294 CG1 VAL A 21 2.941 5.138 -2.012 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.522 6.610 -0.537 1.00 0.00 C ATOM 0 H VAL A 21 3.782 7.806 0.414 1.00 0.00 H new ATOM 0 HA VAL A 21 4.255 7.341 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 21 1.821 6.843 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.099 4.451 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.520 5.113 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.575 4.838 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.709 5.893 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.107 6.362 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.109 7.613 -0.430 1.00 0.00 H new ATOM 305 N PRO A 22 2.890 9.417 -3.069 1.00 0.00 N ATOM 306 CA PRO A 22 2.457 10.775 -3.351 1.00 0.00 C ATOM 307 C PRO A 22 0.987 10.972 -2.976 1.00 0.00 C ATOM 308 O PRO A 22 0.108 10.313 -3.530 1.00 0.00 O ATOM 309 CB PRO A 22 2.724 10.973 -4.834 1.00 0.00 C ATOM 310 CG PRO A 22 2.858 9.578 -5.423 1.00 0.00 C ATOM 311 CD PRO A 22 3.024 8.600 -4.272 1.00 0.00 C ATOM 0 HA PRO A 22 2.993 11.518 -2.761 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.909 11.520 -5.308 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.633 11.553 -4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.977 9.327 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.716 9.528 -6.094 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.266 7.817 -4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.995 8.106 -4.309 1.00 0.00 H new ATOM 319 N ASP A 23 0.765 11.880 -2.038 1.00 0.00 N ATOM 320 CA ASP A 23 -0.584 12.172 -1.582 1.00 0.00 C ATOM 321 C ASP A 23 -1.468 12.488 -2.790 1.00 0.00 C ATOM 322 O ASP A 23 -2.684 12.310 -2.737 1.00 0.00 O ATOM 323 CB ASP A 23 -0.601 13.387 -0.653 1.00 0.00 C ATOM 324 CG ASP A 23 -1.645 13.332 0.464 1.00 0.00 C ATOM 325 OD1 ASP A 23 -2.534 12.459 0.367 1.00 0.00 O ATOM 326 OD2 ASP A 23 -1.529 14.164 1.390 1.00 0.00 O ATOM 0 H ASP A 23 1.497 12.424 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.953 11.300 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.386 13.495 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.778 14.281 -1.251 1.00 0.00 H new ATOM 331 N GLY A 24 -0.823 12.951 -3.851 1.00 0.00 N ATOM 332 CA GLY A 24 -1.536 13.293 -5.070 1.00 0.00 C ATOM 333 C GLY A 24 -1.971 12.034 -5.822 1.00 0.00 C ATOM 334 O GLY A 24 -2.645 12.121 -6.848 1.00 0.00 O ATOM 0 H GLY A 24 0.186 13.097 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.411 13.896 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.897 13.901 -5.711 1.00 0.00 H new ATOM 338 N MET A 25 -1.569 10.892 -5.283 1.00 0.00 N ATOM 339 CA MET A 25 -1.910 9.617 -5.891 1.00 0.00 C ATOM 340 C MET A 25 -2.596 8.695 -4.881 1.00 0.00 C ATOM 341 O MET A 25 -3.546 7.992 -5.223 1.00 0.00 O ATOM 342 CB MET A 25 -0.639 8.946 -6.415 1.00 0.00 C ATOM 343 CG MET A 25 0.040 9.812 -7.478 1.00 0.00 C ATOM 344 SD MET A 25 -1.107 10.171 -8.797 1.00 0.00 S ATOM 345 CE MET A 25 -1.048 8.627 -9.690 1.00 0.00 C ATOM 0 H MET A 25 -1.011 10.823 -4.432 1.00 0.00 H new ATOM 0 HA MET A 25 -2.600 9.800 -6.714 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.051 8.770 -5.589 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.885 7.972 -6.837 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.394 10.741 -7.030 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.914 9.296 -7.875 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.983 8.484 -10.232 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.218 8.647 -10.397 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.907 7.806 -8.988 1.00 0.00 H new ATOM 355 N VAL A 26 -2.087 8.727 -3.658 1.00 0.00 N ATOM 356 CA VAL A 26 -2.639 7.902 -2.597 1.00 0.00 C ATOM 357 C VAL A 26 -4.167 7.951 -2.661 1.00 0.00 C ATOM 358 O VAL A 26 -4.826 6.913 -2.664 1.00 0.00 O ATOM 359 CB VAL A 26 -2.083 8.349 -1.244 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.733 9.657 -0.789 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.258 7.254 -0.190 1.00 0.00 C ATOM 0 H VAL A 26 -1.299 9.311 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.341 6.862 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.015 8.530 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.320 9.952 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.533 10.437 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.810 9.515 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.854 7.598 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.318 7.027 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.727 6.356 -0.506 1.00 0.00 H new ATOM 371 N GLY A 27 -4.686 9.169 -2.709 1.00 0.00 N ATOM 372 CA GLY A 27 -6.124 9.368 -2.773 1.00 0.00 C ATOM 373 C GLY A 27 -6.749 8.508 -3.874 1.00 0.00 C ATOM 374 O GLY A 27 -7.882 8.048 -3.739 1.00 0.00 O ATOM 0 H GLY A 27 -4.136 10.028 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.572 9.117 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.341 10.420 -2.961 1.00 0.00 H new ATOM 378 N PHE A 28 -5.982 8.316 -4.937 1.00 0.00 N ATOM 379 CA PHE A 28 -6.446 7.519 -6.060 1.00 0.00 C ATOM 380 C PHE A 28 -6.064 6.048 -5.883 1.00 0.00 C ATOM 381 O PHE A 28 -6.688 5.166 -6.471 1.00 0.00 O ATOM 382 CB PHE A 28 -5.756 8.066 -7.311 1.00 0.00 C ATOM 383 CG PHE A 28 -5.608 7.042 -8.438 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.660 6.249 -8.778 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.426 6.924 -9.100 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.523 5.298 -9.824 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.289 5.974 -10.146 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.340 5.181 -10.486 1.00 0.00 C ATOM 0 H PHE A 28 -5.043 8.698 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.532 7.578 -6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.323 8.920 -7.682 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.768 8.434 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.599 6.343 -8.253 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.591 7.553 -8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.358 4.668 -10.094 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.350 5.881 -10.672 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.236 4.458 -11.282 1.00 0.00 H new ATOM 398 N ILE A 29 -5.041 5.829 -5.071 1.00 0.00 N ATOM 399 CA ILE A 29 -4.568 4.480 -4.809 1.00 0.00 C ATOM 400 C ILE A 29 -5.670 3.686 -4.104 1.00 0.00 C ATOM 401 O ILE A 29 -5.902 2.521 -4.423 1.00 0.00 O ATOM 402 CB ILE A 29 -3.247 4.515 -4.039 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.153 5.205 -4.858 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.832 3.110 -3.598 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.762 4.775 -4.388 1.00 0.00 C ATOM 0 H ILE A 29 -4.526 6.563 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.351 3.964 -5.744 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.394 5.106 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.276 4.961 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.253 6.287 -4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.890 3.163 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.602 2.689 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.708 2.475 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.004 5.280 -4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.634 5.042 -3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.656 3.696 -4.503 1.00 0.00 H new ATOM 417 N ILE A 30 -6.320 4.349 -3.159 1.00 0.00 N ATOM 418 CA ILE A 30 -7.392 3.720 -2.406 1.00 0.00 C ATOM 419 C ILE A 30 -8.465 3.220 -3.375 1.00 0.00 C ATOM 420 O ILE A 30 -8.598 2.016 -3.592 1.00 0.00 O ATOM 421 CB ILE A 30 -7.927 4.674 -1.336 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.786 5.241 -0.487 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.995 3.993 -0.479 1.00 0.00 C ATOM 424 CD1 ILE A 30 -7.328 5.945 0.758 1.00 0.00 C ATOM 0 H ILE A 30 -6.125 5.315 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.018 2.850 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.405 5.516 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.114 4.436 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.200 5.943 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.358 4.693 0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.824 3.679 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.565 3.121 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.497 6.339 1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.981 6.765 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.893 5.234 1.361 1.00 0.00 H new ATOM 436 N GLY A 31 -9.203 4.169 -3.932 1.00 0.00 N ATOM 437 CA GLY A 31 -10.260 3.839 -4.873 1.00 0.00 C ATOM 438 C GLY A 31 -11.622 4.298 -4.350 1.00 0.00 C ATOM 439 O GLY A 31 -11.757 4.641 -3.176 1.00 0.00 O ATOM 0 H GLY A 31 -9.090 5.166 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.057 4.312 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.276 2.763 -5.045 1.00 0.00 H new ATOM 481 N GLU A 35 -11.119 -0.182 -3.401 1.00 0.00 N ATOM 482 CA GLU A 35 -11.070 -1.417 -4.165 1.00 0.00 C ATOM 483 C GLU A 35 -9.814 -1.450 -5.040 1.00 0.00 C ATOM 484 O GLU A 35 -9.392 -2.516 -5.485 1.00 0.00 O ATOM 485 CB GLU A 35 -12.332 -1.588 -5.012 1.00 0.00 C ATOM 486 CG GLU A 35 -12.212 -2.800 -5.937 1.00 0.00 C ATOM 487 CD GLU A 35 -13.538 -3.559 -6.022 1.00 0.00 C ATOM 488 OE1 GLU A 35 -13.754 -4.422 -5.144 1.00 0.00 O ATOM 489 OE2 GLU A 35 -14.304 -3.259 -6.962 1.00 0.00 O ATOM 0 HA GLU A 35 -11.025 -2.252 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.198 -1.708 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.501 -0.689 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.911 -2.474 -6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.431 -3.466 -5.570 1.00 0.00 H new ATOM 496 N GLN A 36 -9.254 -0.270 -5.259 1.00 0.00 N ATOM 497 CA GLN A 36 -8.055 -0.150 -6.073 1.00 0.00 C ATOM 498 C GLN A 36 -6.839 -0.672 -5.305 1.00 0.00 C ATOM 499 O GLN A 36 -5.947 -1.285 -5.890 1.00 0.00 O ATOM 500 CB GLN A 36 -7.840 1.296 -6.523 1.00 0.00 C ATOM 501 CG GLN A 36 -6.525 1.441 -7.292 1.00 0.00 C ATOM 502 CD GLN A 36 -6.785 1.730 -8.772 1.00 0.00 C ATOM 503 OE1 GLN A 36 -7.910 1.902 -9.209 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.683 1.774 -9.515 1.00 0.00 N ATOM 0 H GLN A 36 -9.608 0.612 -4.887 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.184 -0.758 -6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.671 1.612 -7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.832 1.954 -5.654 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.933 2.247 -6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.939 0.527 -7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.771 1.621 -9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.750 1.961 -10.515 1.00 0.00 H new ATOM 513 N ILE A 37 -6.841 -0.410 -4.006 1.00 0.00 N ATOM 514 CA ILE A 37 -5.749 -0.845 -3.153 1.00 0.00 C ATOM 515 C ILE A 37 -5.943 -2.320 -2.796 1.00 0.00 C ATOM 516 O ILE A 37 -4.974 -3.070 -2.691 1.00 0.00 O ATOM 517 CB ILE A 37 -5.624 0.071 -1.933 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.325 -0.202 -1.173 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.853 -0.048 -1.030 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.169 0.616 -1.751 1.00 0.00 C ATOM 0 H ILE A 37 -7.582 0.098 -3.524 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.799 -0.766 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.581 1.102 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.458 0.043 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.085 -1.264 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.739 0.613 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.744 0.235 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.953 -1.077 -0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.258 0.403 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.023 0.351 -2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.401 1.678 -1.675 1.00 0.00 H new ATOM 532 N SER A 38 -7.202 -2.693 -2.620 1.00 0.00 N ATOM 533 CA SER A 38 -7.536 -4.065 -2.278 1.00 0.00 C ATOM 534 C SER A 38 -6.892 -5.026 -3.279 1.00 0.00 C ATOM 535 O SER A 38 -6.181 -5.950 -2.889 1.00 0.00 O ATOM 536 CB SER A 38 -9.051 -4.271 -2.244 1.00 0.00 C ATOM 537 OG SER A 38 -9.413 -5.463 -1.550 1.00 0.00 O ATOM 0 H SER A 38 -8.004 -2.068 -2.708 1.00 0.00 H new ATOM 0 HA SER A 38 -7.146 -4.273 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.523 -3.414 -1.763 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.434 -4.315 -3.264 1.00 0.00 H new ATOM 0 HG SER A 38 -10.388 -5.558 -1.549 1.00 0.00 H new ATOM 543 N ARG A 39 -7.163 -4.773 -4.551 1.00 0.00 N ATOM 544 CA ARG A 39 -6.619 -5.604 -5.612 1.00 0.00 C ATOM 545 C ARG A 39 -5.102 -5.735 -5.458 1.00 0.00 C ATOM 546 O ARG A 39 -4.524 -6.758 -5.821 1.00 0.00 O ATOM 547 CB ARG A 39 -6.937 -5.018 -6.989 1.00 0.00 C ATOM 548 CG ARG A 39 -7.537 -6.081 -7.912 1.00 0.00 C ATOM 549 CD ARG A 39 -8.334 -5.435 -9.046 1.00 0.00 C ATOM 550 NE ARG A 39 -8.605 -6.432 -10.106 1.00 0.00 N ATOM 551 CZ ARG A 39 -9.419 -6.217 -11.149 1.00 0.00 C ATOM 552 NH1 ARG A 39 -10.047 -5.041 -11.278 1.00 0.00 N ATOM 553 NH2 ARG A 39 -9.605 -7.180 -12.063 1.00 0.00 N ATOM 0 H ARG A 39 -7.752 -4.004 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.082 -6.588 -5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.635 -4.188 -6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.028 -4.615 -7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.741 -6.698 -8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.186 -6.742 -7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.273 -5.037 -8.661 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.777 -4.594 -9.460 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.144 -7.339 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.906 -4.308 -10.582 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.666 -4.878 -12.072 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.127 -8.076 -11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.224 -7.017 -12.857 1.00 0.00 H new ATOM 567 N ILE A 40 -4.502 -4.684 -4.920 1.00 0.00 N ATOM 568 CA ILE A 40 -3.063 -4.668 -4.714 1.00 0.00 C ATOM 569 C ILE A 40 -2.718 -5.518 -3.490 1.00 0.00 C ATOM 570 O ILE A 40 -1.714 -6.228 -3.486 1.00 0.00 O ATOM 571 CB ILE A 40 -2.550 -3.229 -4.629 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.091 -2.384 -5.784 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.022 -3.195 -4.559 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.842 -0.895 -5.538 1.00 0.00 C ATOM 0 H ILE A 40 -4.985 -3.837 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.551 -5.114 -5.566 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.924 -2.787 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.613 -2.687 -6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.160 -2.563 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.683 -2.161 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.686 -3.738 -3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.606 -3.662 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.236 -0.317 -6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.341 -0.590 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.771 -0.716 -5.446 1.00 0.00 H new ATOM 586 N GLN A 41 -3.570 -5.417 -2.480 1.00 0.00 N ATOM 587 CA GLN A 41 -3.368 -6.168 -1.253 1.00 0.00 C ATOM 588 C GLN A 41 -3.572 -7.663 -1.505 1.00 0.00 C ATOM 589 O GLN A 41 -2.892 -8.495 -0.907 1.00 0.00 O ATOM 590 CB GLN A 41 -4.297 -5.667 -0.145 1.00 0.00 C ATOM 591 CG GLN A 41 -3.710 -4.436 0.548 1.00 0.00 C ATOM 592 CD GLN A 41 -4.590 -3.994 1.720 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.768 -4.703 2.697 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.128 -2.788 1.567 1.00 0.00 N ATOM 0 H GLN A 41 -4.402 -4.826 -2.487 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.342 -6.013 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.272 -5.421 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.456 -6.459 0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.706 -4.661 0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.617 -3.620 -0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.937 -2.248 0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.732 -2.403 2.293 1.00 0.00 H new ATOM 603 N GLN A 42 -4.511 -7.958 -2.392 1.00 0.00 N ATOM 604 CA GLN A 42 -4.812 -9.339 -2.731 1.00 0.00 C ATOM 605 C GLN A 42 -3.829 -9.854 -3.784 1.00 0.00 C ATOM 606 O GLN A 42 -3.422 -11.014 -3.743 1.00 0.00 O ATOM 607 CB GLN A 42 -6.257 -9.481 -3.214 1.00 0.00 C ATOM 608 CG GLN A 42 -7.244 -9.254 -2.067 1.00 0.00 C ATOM 609 CD GLN A 42 -8.135 -10.480 -1.860 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.192 -11.384 -2.678 1.00 0.00 O ATOM 611 NE2 GLN A 42 -8.827 -10.460 -0.724 1.00 0.00 N ATOM 0 H GLN A 42 -5.073 -7.265 -2.886 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.702 -9.946 -1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.450 -8.763 -4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.407 -10.475 -3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.697 -9.038 -1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.863 -8.383 -2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.733 -9.672 -0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.452 -11.233 -0.494 1.00 0.00 H new ATOM 620 N GLU A 43 -3.475 -8.966 -4.702 1.00 0.00 N ATOM 621 CA GLU A 43 -2.547 -9.317 -5.763 1.00 0.00 C ATOM 622 C GLU A 43 -1.228 -9.817 -5.171 1.00 0.00 C ATOM 623 O GLU A 43 -0.779 -10.918 -5.487 1.00 0.00 O ATOM 624 CB GLU A 43 -2.313 -8.131 -6.700 1.00 0.00 C ATOM 625 CG GLU A 43 -3.313 -8.140 -7.858 1.00 0.00 C ATOM 626 CD GLU A 43 -2.867 -9.102 -8.961 1.00 0.00 C ATOM 627 OE1 GLU A 43 -1.887 -8.755 -9.654 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.517 -10.163 -9.086 1.00 0.00 O ATOM 0 H GLU A 43 -3.814 -8.005 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.986 -10.122 -6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.406 -7.199 -6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.297 -8.168 -7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.297 -8.433 -7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.411 -7.134 -8.266 1.00 0.00 H new ATOM 635 N SER A 44 -0.643 -8.984 -4.322 1.00 0.00 N ATOM 636 CA SER A 44 0.615 -9.327 -3.683 1.00 0.00 C ATOM 637 C SER A 44 0.351 -10.102 -2.390 1.00 0.00 C ATOM 638 O SER A 44 1.237 -10.787 -1.881 1.00 0.00 O ATOM 639 CB SER A 44 1.445 -8.075 -3.392 1.00 0.00 C ATOM 640 OG SER A 44 0.829 -7.242 -2.414 1.00 0.00 O ATOM 0 H SER A 44 -1.018 -8.072 -4.062 1.00 0.00 H new ATOM 0 HA SER A 44 1.185 -9.956 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.436 -8.369 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.584 -7.510 -4.314 1.00 0.00 H new ATOM 0 HG SER A 44 -0.019 -6.898 -2.764 1.00 0.00 H new ATOM 646 N GLY A 45 -0.871 -9.968 -1.897 1.00 0.00 N ATOM 647 CA GLY A 45 -1.262 -10.646 -0.673 1.00 0.00 C ATOM 648 C GLY A 45 -0.579 -10.020 0.544 1.00 0.00 C ATOM 649 O GLY A 45 -0.375 -10.686 1.558 1.00 0.00 O ATOM 0 H GLY A 45 -1.603 -9.400 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.344 -10.593 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.000 -11.702 -0.738 1.00 0.00 H new ATOM 653 N CYS A 46 -0.244 -8.746 0.404 1.00 0.00 N ATOM 654 CA CYS A 46 0.412 -8.022 1.479 1.00 0.00 C ATOM 655 C CYS A 46 -0.572 -6.990 2.035 1.00 0.00 C ATOM 656 O CYS A 46 -1.509 -6.589 1.347 1.00 0.00 O ATOM 657 CB CYS A 46 1.716 -7.372 1.011 1.00 0.00 C ATOM 658 SG CYS A 46 3.033 -7.648 2.251 1.00 0.00 S ATOM 0 H CYS A 46 -0.415 -8.196 -0.438 1.00 0.00 H new ATOM 0 HA CYS A 46 0.693 -8.718 2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.016 -7.790 0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.565 -6.303 0.860 1.00 0.00 H new ATOM 0 HG CYS A 46 2.508 -7.691 3.439 1.00 0.00 H new ATOM 664 N LYS A 47 -0.325 -6.591 3.274 1.00 0.00 N ATOM 665 CA LYS A 47 -1.178 -5.615 3.929 1.00 0.00 C ATOM 666 C LYS A 47 -0.655 -4.208 3.635 1.00 0.00 C ATOM 667 O LYS A 47 0.554 -3.998 3.541 1.00 0.00 O ATOM 668 CB LYS A 47 -1.300 -5.926 5.422 1.00 0.00 C ATOM 669 CG LYS A 47 -2.646 -5.450 5.974 1.00 0.00 C ATOM 670 CD LYS A 47 -3.095 -6.320 7.149 1.00 0.00 C ATOM 671 CE LYS A 47 -4.238 -7.250 6.738 1.00 0.00 C ATOM 672 NZ LYS A 47 -3.965 -8.635 7.182 1.00 0.00 N ATOM 0 H LYS A 47 0.454 -6.926 3.841 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.192 -5.668 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.196 -6.999 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.489 -5.442 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.564 -4.412 6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.398 -5.481 5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.253 -6.911 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.417 -5.685 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.174 -6.900 7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.362 -7.227 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.751 -9.253 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.083 -8.972 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.869 -8.655 8.217 1.00 0.00 H new ATOM 686 N ILE A 48 -1.590 -3.279 3.497 1.00 0.00 N ATOM 687 CA ILE A 48 -1.238 -1.898 3.215 1.00 0.00 C ATOM 688 C ILE A 48 -2.067 -0.973 4.107 1.00 0.00 C ATOM 689 O ILE A 48 -3.261 -0.786 3.875 1.00 0.00 O ATOM 690 CB ILE A 48 -1.382 -1.603 1.721 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.409 -2.450 0.898 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.220 -0.108 1.439 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.979 -2.748 -0.490 1.00 0.00 C ATOM 0 H ILE A 48 -2.591 -3.456 3.575 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.190 -1.716 3.453 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.390 -1.881 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.542 -1.926 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.205 -3.385 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.327 0.074 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.985 0.449 1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.233 0.219 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.267 -3.351 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.917 -3.294 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.159 -1.812 -1.018 1.00 0.00 H new ATOM 705 N GLN A 49 -1.402 -0.417 5.109 1.00 0.00 N ATOM 706 CA GLN A 49 -2.063 0.484 6.038 1.00 0.00 C ATOM 707 C GLN A 49 -1.675 1.934 5.737 1.00 0.00 C ATOM 708 O GLN A 49 -0.544 2.343 5.991 1.00 0.00 O ATOM 709 CB GLN A 49 -1.733 0.118 7.486 1.00 0.00 C ATOM 710 CG GLN A 49 -2.449 -1.168 7.903 1.00 0.00 C ATOM 711 CD GLN A 49 -1.882 -1.710 9.216 1.00 0.00 C ATOM 712 OE1 GLN A 49 -2.325 -1.370 10.301 1.00 0.00 O ATOM 713 NE2 GLN A 49 -0.880 -2.571 9.059 1.00 0.00 N ATOM 0 H GLN A 49 -0.412 -0.573 5.298 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.140 0.382 5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.656 -0.009 7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.027 0.933 8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.516 -0.974 8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.342 -1.918 7.120 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.557 -2.813 8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.434 -2.989 9.876 1.00 0.00 H new ATOM 722 N ILE A 50 -2.637 2.670 5.199 1.00 0.00 N ATOM 723 CA ILE A 50 -2.410 4.065 4.861 1.00 0.00 C ATOM 724 C ILE A 50 -3.096 4.955 5.900 1.00 0.00 C ATOM 725 O ILE A 50 -4.287 4.801 6.165 1.00 0.00 O ATOM 726 CB ILE A 50 -2.851 4.346 3.423 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.488 3.181 2.500 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.278 5.674 2.923 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.772 3.531 1.038 1.00 0.00 C ATOM 0 H ILE A 50 -3.574 2.327 4.989 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.346 4.297 4.895 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.937 4.439 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.434 2.932 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.058 2.296 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.607 5.849 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.629 6.485 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.189 5.635 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.505 2.686 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.832 3.756 0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.182 4.401 0.751 1.00 0.00 H new ATOM 741 N ALA A 51 -2.314 5.866 6.460 1.00 0.00 N ATOM 742 CA ALA A 51 -2.831 6.781 7.464 1.00 0.00 C ATOM 743 C ALA A 51 -3.867 7.704 6.820 1.00 0.00 C ATOM 744 O ALA A 51 -3.876 7.881 5.603 1.00 0.00 O ATOM 745 CB ALA A 51 -1.671 7.555 8.094 1.00 0.00 C ATOM 0 H ALA A 51 -1.326 5.990 6.238 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.330 6.233 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.058 8.241 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.979 6.855 8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.149 8.120 7.322 1.00 0.00 H new ATOM 821 N PRO A 58 4.716 15.561 2.109 1.00 0.00 N ATOM 822 CA PRO A 58 4.304 15.522 0.716 1.00 0.00 C ATOM 823 C PRO A 58 3.872 14.111 0.312 1.00 0.00 C ATOM 824 O PRO A 58 3.020 13.945 -0.560 1.00 0.00 O ATOM 825 CB PRO A 58 5.510 16.020 -0.064 1.00 0.00 C ATOM 826 CG PRO A 58 6.700 15.878 0.872 1.00 0.00 C ATOM 827 CD PRO A 58 6.164 15.643 2.275 1.00 0.00 C ATOM 0 HA PRO A 58 3.432 16.145 0.517 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.656 15.436 -0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.376 17.057 -0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.333 15.047 0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.317 16.776 0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.566 14.725 2.704 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.440 16.456 2.946 1.00 0.00 H new ATOM 835 N GLU A 59 4.478 13.130 0.964 1.00 0.00 N ATOM 836 CA GLU A 59 4.166 11.739 0.684 1.00 0.00 C ATOM 837 C GLU A 59 3.468 11.099 1.885 1.00 0.00 C ATOM 838 O GLU A 59 3.828 11.365 3.031 1.00 0.00 O ATOM 839 CB GLU A 59 5.427 10.961 0.303 1.00 0.00 C ATOM 840 CG GLU A 59 5.884 11.316 -1.114 1.00 0.00 C ATOM 841 CD GLU A 59 7.248 12.008 -1.092 1.00 0.00 C ATOM 842 OE1 GLU A 59 8.154 11.455 -0.432 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.354 13.074 -1.736 1.00 0.00 O ATOM 0 H GLU A 59 5.184 13.271 1.686 1.00 0.00 H new ATOM 0 HA GLU A 59 3.486 11.703 -0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.224 11.184 1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.232 9.891 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.941 10.411 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.149 11.969 -1.585 1.00 0.00 H new ATOM 850 N ARG A 60 2.483 10.267 1.583 1.00 0.00 N ATOM 851 CA ARG A 60 1.731 9.586 2.624 1.00 0.00 C ATOM 852 C ARG A 60 2.404 8.260 2.982 1.00 0.00 C ATOM 853 O ARG A 60 2.655 7.431 2.109 1.00 0.00 O ATOM 854 CB ARG A 60 0.293 9.317 2.178 1.00 0.00 C ATOM 855 CG ARG A 60 -0.435 8.425 3.185 1.00 0.00 C ATOM 856 CD ARG A 60 -1.156 9.265 4.242 1.00 0.00 C ATOM 857 NE ARG A 60 -0.183 10.121 4.957 1.00 0.00 N ATOM 858 CZ ARG A 60 0.523 9.726 6.025 1.00 0.00 C ATOM 859 NH1 ARG A 60 0.369 8.486 6.508 1.00 0.00 N ATOM 860 NH2 ARG A 60 1.383 10.571 6.610 1.00 0.00 N ATOM 0 H ARG A 60 2.187 10.048 0.632 1.00 0.00 H new ATOM 0 HA ARG A 60 1.712 10.236 3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.241 10.261 2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.296 8.839 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.155 7.794 2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.279 7.760 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.919 9.884 3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.668 8.613 4.950 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.041 11.071 4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.286 7.843 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.906 8.185 7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.500 11.515 6.242 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.920 10.270 7.423 1.00 0.00 H new ATOM 874 N SER A 61 2.676 8.099 4.269 1.00 0.00 N ATOM 875 CA SER A 61 3.314 6.888 4.754 1.00 0.00 C ATOM 876 C SER A 61 2.315 5.729 4.740 1.00 0.00 C ATOM 877 O SER A 61 1.162 5.894 5.135 1.00 0.00 O ATOM 878 CB SER A 61 3.876 7.087 6.163 1.00 0.00 C ATOM 879 OG SER A 61 4.632 5.961 6.600 1.00 0.00 O ATOM 0 H SER A 61 2.466 8.788 4.991 1.00 0.00 H new ATOM 0 HA SER A 61 4.146 6.651 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.507 7.976 6.180 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.056 7.265 6.859 1.00 0.00 H new ATOM 0 HG SER A 61 4.975 6.128 7.503 1.00 0.00 H new ATOM 885 N CYS A 62 2.794 4.582 4.281 1.00 0.00 N ATOM 886 CA CYS A 62 1.958 3.396 4.210 1.00 0.00 C ATOM 887 C CYS A 62 2.718 2.233 4.851 1.00 0.00 C ATOM 888 O CYS A 62 3.789 1.853 4.381 1.00 0.00 O ATOM 889 CB CYS A 62 1.542 3.082 2.772 1.00 0.00 C ATOM 890 SG CYS A 62 0.589 4.481 2.076 1.00 0.00 S ATOM 0 H CYS A 62 3.751 4.449 3.954 1.00 0.00 H new ATOM 0 HA CYS A 62 1.031 3.569 4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.426 2.894 2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.940 2.174 2.749 1.00 0.00 H new ATOM 0 HG CYS A 62 0.243 4.205 0.854 1.00 0.00 H new ATOM 896 N MET A 63 2.134 1.700 5.914 1.00 0.00 N ATOM 897 CA MET A 63 2.743 0.589 6.624 1.00 0.00 C ATOM 898 C MET A 63 2.345 -0.748 5.994 1.00 0.00 C ATOM 899 O MET A 63 1.165 -1.090 5.949 1.00 0.00 O ATOM 900 CB MET A 63 2.300 0.614 8.089 1.00 0.00 C ATOM 901 CG MET A 63 2.737 1.912 8.771 1.00 0.00 C ATOM 902 SD MET A 63 3.568 1.546 10.307 1.00 0.00 S ATOM 903 CE MET A 63 5.239 1.339 9.714 1.00 0.00 C ATOM 0 H MET A 63 1.245 2.017 6.301 1.00 0.00 H new ATOM 0 HA MET A 63 3.826 0.692 6.561 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.216 0.516 8.147 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.726 -0.240 8.616 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.402 2.472 8.113 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.869 2.543 8.959 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.876 1.000 10.531 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.252 0.600 8.913 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.611 2.291 9.335 1.00 0.00 H new ATOM 913 N LEU A 64 3.354 -1.467 5.524 1.00 0.00 N ATOM 914 CA LEU A 64 3.125 -2.758 4.899 1.00 0.00 C ATOM 915 C LEU A 64 3.467 -3.870 5.893 1.00 0.00 C ATOM 916 O LEU A 64 4.364 -3.713 6.720 1.00 0.00 O ATOM 917 CB LEU A 64 3.890 -2.857 3.578 1.00 0.00 C ATOM 918 CG LEU A 64 3.551 -1.801 2.525 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.742 -0.875 2.273 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.048 -2.453 1.235 1.00 0.00 C ATOM 0 H LEU A 64 4.332 -1.180 5.564 1.00 0.00 H new ATOM 0 HA LEU A 64 2.072 -2.874 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.957 -2.797 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.707 -3.842 3.148 1.00 0.00 H new ATOM 0 HG LEU A 64 2.740 -1.184 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.474 -0.134 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.012 -0.369 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.590 -1.461 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.814 -1.679 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.820 -3.110 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.151 -3.035 1.447 1.00 0.00 H new ATOM 932 N THR A 65 2.735 -4.968 5.779 1.00 0.00 N ATOM 933 CA THR A 65 2.951 -6.105 6.658 1.00 0.00 C ATOM 934 C THR A 65 2.726 -7.415 5.900 1.00 0.00 C ATOM 935 O THR A 65 1.692 -7.596 5.258 1.00 0.00 O ATOM 936 CB THR A 65 2.037 -5.943 7.874 1.00 0.00 C ATOM 937 OG1 THR A 65 2.379 -4.662 8.397 1.00 0.00 O ATOM 938 CG2 THR A 65 2.388 -6.912 9.004 1.00 0.00 C ATOM 0 H THR A 65 1.992 -5.095 5.092 1.00 0.00 H new ATOM 0 HA THR A 65 3.982 -6.142 7.010 1.00 0.00 H new ATOM 0 HB THR A 65 1.001 -6.098 7.572 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.832 -4.475 9.188 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.709 -6.755 9.842 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.292 -7.937 8.647 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.413 -6.735 9.329 1.00 0.00 H new ATOM 946 N GLY A 66 3.711 -8.295 5.999 1.00 0.00 N ATOM 947 CA GLY A 66 3.634 -9.583 5.330 1.00 0.00 C ATOM 948 C GLY A 66 5.008 -10.018 4.816 1.00 0.00 C ATOM 949 O GLY A 66 6.023 -9.417 5.164 1.00 0.00 O ATOM 0 H GLY A 66 4.567 -8.142 6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.246 -10.332 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.933 -9.523 4.498 1.00 0.00 H new ATOM 953 N THR A 67 4.995 -11.058 3.996 1.00 0.00 N ATOM 954 CA THR A 67 6.228 -11.580 3.431 1.00 0.00 C ATOM 955 C THR A 67 7.038 -10.453 2.787 1.00 0.00 C ATOM 956 O THR A 67 6.503 -9.383 2.503 1.00 0.00 O ATOM 957 CB THR A 67 5.863 -12.700 2.454 1.00 0.00 C ATOM 958 OG1 THR A 67 4.762 -12.174 1.718 1.00 0.00 O ATOM 959 CG2 THR A 67 5.286 -13.928 3.161 1.00 0.00 C ATOM 0 H THR A 67 4.151 -11.553 3.709 1.00 0.00 H new ATOM 0 HA THR A 67 6.871 -12.000 4.204 1.00 0.00 H new ATOM 0 HB THR A 67 6.748 -12.990 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.993 -12.135 0.766 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.044 -14.693 2.423 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.020 -14.322 3.864 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.382 -13.646 3.701 1.00 0.00 H new ATOM 967 N PRO A 68 8.350 -10.740 2.570 1.00 0.00 N ATOM 968 CA PRO A 68 9.239 -9.763 1.965 1.00 0.00 C ATOM 969 C PRO A 68 8.981 -9.643 0.462 1.00 0.00 C ATOM 970 O PRO A 68 9.078 -8.555 -0.103 1.00 0.00 O ATOM 971 CB PRO A 68 10.641 -10.254 2.290 1.00 0.00 C ATOM 972 CG PRO A 68 10.494 -11.721 2.659 1.00 0.00 C ATOM 973 CD PRO A 68 9.018 -11.997 2.893 1.00 0.00 C ATOM 0 HA PRO A 68 9.084 -8.756 2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.306 -10.131 1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.073 -9.685 3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.879 -12.356 1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.072 -11.949 3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.662 -12.809 2.259 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.829 -12.292 3.925 1.00 0.00 H new ATOM 981 N GLU A 69 8.657 -10.777 -0.143 1.00 0.00 N ATOM 982 CA GLU A 69 8.384 -10.812 -1.570 1.00 0.00 C ATOM 983 C GLU A 69 7.035 -10.155 -1.868 1.00 0.00 C ATOM 984 O GLU A 69 6.833 -9.609 -2.952 1.00 0.00 O ATOM 985 CB GLU A 69 8.424 -12.247 -2.100 1.00 0.00 C ATOM 986 CG GLU A 69 9.819 -12.600 -2.621 1.00 0.00 C ATOM 987 CD GLU A 69 10.830 -12.673 -1.474 1.00 0.00 C ATOM 988 OE1 GLU A 69 10.787 -13.685 -0.743 1.00 0.00 O ATOM 989 OE2 GLU A 69 11.623 -11.714 -1.356 1.00 0.00 O ATOM 0 H GLU A 69 8.577 -11.678 0.329 1.00 0.00 H new ATOM 0 HA GLU A 69 9.162 -10.248 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.142 -12.939 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.693 -12.364 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.785 -13.557 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.140 -11.853 -3.347 1.00 0.00 H new ATOM 996 N SER A 70 6.147 -10.228 -0.888 1.00 0.00 N ATOM 997 CA SER A 70 4.823 -9.647 -1.033 1.00 0.00 C ATOM 998 C SER A 70 4.911 -8.121 -0.963 1.00 0.00 C ATOM 999 O SER A 70 4.260 -7.423 -1.739 1.00 0.00 O ATOM 1000 CB SER A 70 3.870 -10.173 0.043 1.00 0.00 C ATOM 1001 OG SER A 70 3.470 -11.517 -0.210 1.00 0.00 O ATOM 0 H SER A 70 6.318 -10.681 0.010 1.00 0.00 H new ATOM 0 HA SER A 70 4.426 -9.938 -2.006 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.356 -10.117 1.017 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.988 -9.535 0.090 1.00 0.00 H new ATOM 0 HG SER A 70 3.352 -11.989 0.641 1.00 0.00 H new ATOM 1007 N VAL A 71 5.722 -7.649 -0.028 1.00 0.00 N ATOM 1008 CA VAL A 71 5.903 -6.219 0.153 1.00 0.00 C ATOM 1009 C VAL A 71 6.372 -5.598 -1.165 1.00 0.00 C ATOM 1010 O VAL A 71 5.784 -4.630 -1.643 1.00 0.00 O ATOM 1011 CB VAL A 71 6.865 -5.956 1.314 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.077 -4.455 1.520 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.369 -6.622 2.598 1.00 0.00 C ATOM 0 H VAL A 71 6.261 -8.232 0.612 1.00 0.00 H new ATOM 0 HA VAL A 71 4.958 -5.745 0.418 1.00 0.00 H new ATOM 0 HB VAL A 71 7.828 -6.398 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.764 -4.295 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.496 -4.019 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.122 -3.980 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.071 -6.420 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.389 -6.223 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.294 -7.698 2.444 1.00 0.00 H new ATOM 1023 N GLN A 72 7.427 -6.182 -1.714 1.00 0.00 N ATOM 1024 CA GLN A 72 7.981 -5.698 -2.967 1.00 0.00 C ATOM 1025 C GLN A 72 6.921 -5.743 -4.069 1.00 0.00 C ATOM 1026 O GLN A 72 6.728 -4.765 -4.790 1.00 0.00 O ATOM 1027 CB GLN A 72 9.220 -6.503 -3.365 1.00 0.00 C ATOM 1028 CG GLN A 72 10.458 -6.011 -2.614 1.00 0.00 C ATOM 1029 CD GLN A 72 11.739 -6.382 -3.365 1.00 0.00 C ATOM 1030 OE1 GLN A 72 11.919 -7.497 -3.825 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.616 -5.387 -3.462 1.00 0.00 N ATOM 0 H GLN A 72 7.912 -6.985 -1.314 1.00 0.00 H new ATOM 0 HA GLN A 72 8.290 -4.662 -2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.056 -7.559 -3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.384 -6.417 -4.439 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.406 -4.929 -2.489 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.479 -6.447 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.402 -4.477 -3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.503 -5.534 -3.945 1.00 0.00 H new ATOM 1040 N SER A 73 6.261 -6.888 -4.165 1.00 0.00 N ATOM 1041 CA SER A 73 5.225 -7.072 -5.167 1.00 0.00 C ATOM 1042 C SER A 73 4.191 -5.950 -5.064 1.00 0.00 C ATOM 1043 O SER A 73 3.861 -5.311 -6.062 1.00 0.00 O ATOM 1044 CB SER A 73 4.546 -8.435 -5.013 1.00 0.00 C ATOM 1045 OG SER A 73 4.916 -9.336 -6.054 1.00 0.00 O ATOM 0 H SER A 73 6.424 -7.697 -3.566 1.00 0.00 H new ATOM 0 HA SER A 73 5.692 -7.037 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.813 -8.866 -4.048 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.464 -8.303 -5.015 1.00 0.00 H new ATOM 0 HG SER A 73 4.464 -10.195 -5.919 1.00 0.00 H new ATOM 1051 N ALA A 74 3.708 -5.744 -3.848 1.00 0.00 N ATOM 1052 CA ALA A 74 2.717 -4.709 -3.601 1.00 0.00 C ATOM 1053 C ALA A 74 3.335 -3.339 -3.889 1.00 0.00 C ATOM 1054 O ALA A 74 2.707 -2.493 -4.524 1.00 0.00 O ATOM 1055 CB ALA A 74 2.204 -4.826 -2.165 1.00 0.00 C ATOM 0 H ALA A 74 3.984 -6.276 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 74 1.861 -4.831 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.461 -4.050 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.749 -5.806 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.036 -4.705 -1.471 1.00 0.00 H new ATOM 1061 N LYS A 75 4.557 -3.164 -3.409 1.00 0.00 N ATOM 1062 CA LYS A 75 5.266 -1.911 -3.608 1.00 0.00 C ATOM 1063 C LYS A 75 5.203 -1.523 -5.086 1.00 0.00 C ATOM 1064 O LYS A 75 4.970 -0.361 -5.418 1.00 0.00 O ATOM 1065 CB LYS A 75 6.690 -2.009 -3.058 1.00 0.00 C ATOM 1066 CG LYS A 75 6.715 -1.749 -1.550 1.00 0.00 C ATOM 1067 CD LYS A 75 8.152 -1.645 -1.035 1.00 0.00 C ATOM 1068 CE LYS A 75 8.848 -3.007 -1.073 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.845 -3.110 0.017 1.00 0.00 N ATOM 0 H LYS A 75 5.074 -3.868 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 75 4.786 -1.109 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.097 -2.998 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.330 -1.287 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.178 -0.827 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.196 -2.554 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.709 -0.931 -1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.150 -1.262 -0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.109 -3.802 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.338 -3.145 -2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.367 -4.005 -0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.510 -2.313 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.359 -3.085 0.936 1.00 0.00 H new ATOM 1083 N ARG A 76 5.415 -2.518 -5.936 1.00 0.00 N ATOM 1084 CA ARG A 76 5.385 -2.295 -7.371 1.00 0.00 C ATOM 1085 C ARG A 76 3.981 -1.879 -7.815 1.00 0.00 C ATOM 1086 O ARG A 76 3.812 -0.855 -8.474 1.00 0.00 O ATOM 1087 CB ARG A 76 5.801 -3.555 -8.133 1.00 0.00 C ATOM 1088 CG ARG A 76 7.319 -3.739 -8.100 1.00 0.00 C ATOM 1089 CD ARG A 76 7.928 -3.521 -9.487 1.00 0.00 C ATOM 1090 NE ARG A 76 9.331 -3.991 -9.504 1.00 0.00 N ATOM 1091 CZ ARG A 76 10.371 -3.266 -9.069 1.00 0.00 C ATOM 1092 NH1 ARG A 76 10.172 -2.034 -8.582 1.00 0.00 N ATOM 1093 NH2 ARG A 76 11.610 -3.773 -9.122 1.00 0.00 N ATOM 0 H ARG A 76 5.608 -3.480 -5.658 1.00 0.00 H new ATOM 0 HA ARG A 76 6.092 -1.497 -7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.316 -4.427 -7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.462 -3.488 -9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.759 -3.037 -7.391 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.560 -4.742 -7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.347 -4.058 -10.237 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.887 -2.464 -9.749 1.00 0.00 H new ATOM 0 HE ARG A 76 9.518 -4.925 -9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.229 -1.648 -8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.964 -1.482 -8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.762 -4.711 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.401 -3.221 -8.791 1.00 0.00 H new ATOM 1107 N LEU A 77 3.009 -2.696 -7.436 1.00 0.00 N ATOM 1108 CA LEU A 77 1.625 -2.426 -7.786 1.00 0.00 C ATOM 1109 C LEU A 77 1.261 -1.006 -7.350 1.00 0.00 C ATOM 1110 O LEU A 77 0.440 -0.348 -7.988 1.00 0.00 O ATOM 1111 CB LEU A 77 0.706 -3.503 -7.205 1.00 0.00 C ATOM 1112 CG LEU A 77 0.874 -4.911 -7.780 1.00 0.00 C ATOM 1113 CD1 LEU A 77 -0.130 -5.881 -7.156 1.00 0.00 C ATOM 1114 CD2 LEU A 77 0.783 -4.894 -9.307 1.00 0.00 C ATOM 0 H LEU A 77 3.153 -3.545 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 77 1.489 -2.472 -8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.870 -3.550 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.327 -3.191 -7.357 1.00 0.00 H new ATOM 0 HG LEU A 77 1.870 -5.269 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.011 -6.874 -7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.026 -5.923 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.144 -5.538 -7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.906 -5.907 -9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.190 -4.507 -9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.569 -4.256 -9.711 1.00 0.00 H new ATOM 1126 N LEU A 78 1.889 -0.574 -6.267 1.00 0.00 N ATOM 1127 CA LEU A 78 1.641 0.757 -5.738 1.00 0.00 C ATOM 1128 C LEU A 78 2.372 1.787 -6.601 1.00 0.00 C ATOM 1129 O LEU A 78 1.739 2.583 -7.293 1.00 0.00 O ATOM 1130 CB LEU A 78 2.012 0.822 -4.255 1.00 0.00 C ATOM 1131 CG LEU A 78 1.176 -0.049 -3.316 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.749 -0.033 -1.898 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.295 0.371 -3.344 1.00 0.00 C ATOM 0 H LEU A 78 2.570 -1.122 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 78 0.579 0.995 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.058 0.535 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.931 1.858 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 78 1.224 -1.078 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.136 -0.660 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.769 -0.416 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.751 0.989 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.868 -0.264 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.383 1.410 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.684 0.266 -4.357 1.00 0.00 H new ATOM 1145 N ASP A 79 3.694 1.739 -6.531 1.00 0.00 N ATOM 1146 CA ASP A 79 4.518 2.659 -7.297 1.00 0.00 C ATOM 1147 C ASP A 79 3.942 2.800 -8.707 1.00 0.00 C ATOM 1148 O ASP A 79 3.908 3.897 -9.262 1.00 0.00 O ATOM 1149 CB ASP A 79 5.952 2.141 -7.422 1.00 0.00 C ATOM 1150 CG ASP A 79 7.041 3.189 -7.183 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.664 4.365 -6.988 1.00 0.00 O ATOM 1152 OD2 ASP A 79 8.226 2.791 -7.200 1.00 0.00 O ATOM 0 H ASP A 79 4.215 1.077 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 79 4.525 3.617 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.091 1.326 -6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.085 1.721 -8.419 1.00 0.00 H new ATOM 1157 N GLN A 80 3.503 1.672 -9.248 1.00 0.00 N ATOM 1158 CA GLN A 80 2.930 1.656 -10.583 1.00 0.00 C ATOM 1159 C GLN A 80 1.854 2.736 -10.712 1.00 0.00 C ATOM 1160 O GLN A 80 1.976 3.642 -11.535 1.00 0.00 O ATOM 1161 CB GLN A 80 2.363 0.275 -10.919 1.00 0.00 C ATOM 1162 CG GLN A 80 3.319 -0.505 -11.823 1.00 0.00 C ATOM 1163 CD GLN A 80 4.434 -1.160 -11.006 1.00 0.00 C ATOM 1164 OE1 GLN A 80 4.422 -2.349 -10.732 1.00 0.00 O ATOM 1165 NE2 GLN A 80 5.397 -0.321 -10.634 1.00 0.00 N ATOM 0 H GLN A 80 3.533 0.763 -8.786 1.00 0.00 H new ATOM 0 HA GLN A 80 3.722 1.872 -11.300 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.189 -0.284 -10.000 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.398 0.385 -11.413 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.766 -1.269 -12.369 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.753 0.166 -12.565 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.346 0.663 -10.897 1.00 0.00 H new ATOM 0 HE22 GLN A 80 6.187 -0.662 -10.086 1.00 0.00 H new ATOM 1174 N ILE A 81 0.826 2.605 -9.887 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.270 3.559 -9.899 1.00 0.00 C ATOM 1176 C ILE A 81 0.292 4.972 -10.071 1.00 0.00 C ATOM 1177 O ILE A 81 -0.053 5.669 -11.024 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.140 3.391 -8.652 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -2.077 2.190 -8.795 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -1.904 4.679 -8.338 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.787 1.888 -7.474 1.00 0.00 C ATOM 0 H ILE A 81 0.729 1.852 -9.205 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.929 3.372 -10.747 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.485 3.190 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.815 2.391 -9.571 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.508 1.317 -9.114 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.515 4.532 -7.447 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.196 5.489 -8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.547 4.935 -9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.447 1.030 -7.603 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.047 1.664 -6.706 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.374 2.755 -7.170 1.00 0.00 H new ATOM 1193 N VAL A 82 1.147 5.353 -9.133 1.00 0.00 N ATOM 1194 CA VAL A 82 1.759 6.670 -9.169 1.00 0.00 C ATOM 1195 C VAL A 82 2.236 6.967 -10.592 1.00 0.00 C ATOM 1196 O VAL A 82 1.783 7.926 -11.215 1.00 0.00 O ATOM 1197 CB VAL A 82 2.882 6.753 -8.133 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.624 8.087 -8.235 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.340 6.534 -6.719 1.00 0.00 C ATOM 0 H VAL A 82 1.430 4.772 -8.344 1.00 0.00 H new ATOM 0 HA VAL A 82 1.031 7.437 -8.903 1.00 0.00 H new ATOM 0 HB VAL A 82 3.594 5.956 -8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.417 8.120 -7.488 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.058 8.187 -9.230 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.926 8.906 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.158 6.598 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.597 7.299 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.878 5.549 -6.655 1.00 0.00 H new