USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 579 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 Single : A 16 LYS NZ :NH3+ 147:sc= 0.58 (180deg=0.101) USER MOD Single : A 17 THR OG1 : rot 48:sc= 0.132 USER MOD Single : A 19 MET CE :methyl -173:sc= 0 (180deg=-0.061) USER MOD Single : A 20 MET CE :methyl 176:sc= -4.81! (180deg=-4.93!) USER MOD Single : A 23 THR OG1 : rot 134:sc= 1.29 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.496 K(o=0.5,f=-0.25) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.58 USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00535) USER MOD Single : A 33 THR OG1 : rot 57:sc= 0.496 USER MOD Single : A 37 THR OG1 : rot -90:sc= 1.28 USER MOD Single : A 38 SER OG : rot -91:sc= 1.22 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 43 SER OG : rot -94:sc= 1.21 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 48 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.47) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.671 K(o=-0.67,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00698 USER MOD Single : A 64 MET CE :methyl -155:sc= 0 (180deg=-0.225) USER MOD Single : A 69 SER OG : rot 105:sc= 0.732 USER MOD Single : A 70 TYR OH : rot -137:sc= 1.3 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 79:sc= 1.24 USER MOD Single : A 81 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.41) USER MOD Single : A 84 CYS SG : rot 41:sc= -0.119 USER MOD Single : A 88 THR OG1 : rot 21:sc= 0.688 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 -0.755 13.913 0.725 1.00 0.00 N ATOM 234 CA LYS A 16 0.131 13.725 -0.391 1.00 0.00 C ATOM 235 C LYS A 16 -0.137 12.414 -1.087 1.00 0.00 C ATOM 236 O LYS A 16 -0.291 11.374 -0.439 1.00 0.00 O ATOM 237 CB LYS A 16 1.591 13.816 0.085 1.00 0.00 C ATOM 238 CG LYS A 16 2.668 13.557 -0.967 1.00 0.00 C ATOM 239 CD LYS A 16 2.527 14.453 -2.190 1.00 0.00 C ATOM 240 CE LYS A 16 3.729 14.332 -3.125 1.00 0.00 C ATOM 241 NZ LYS A 16 4.044 12.928 -3.502 1.00 0.00 N ATOM 0 HA LYS A 16 -0.050 14.516 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.753 14.810 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.730 13.103 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.650 13.712 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.621 12.514 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.618 14.189 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.418 15.489 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.536 14.909 -4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.601 14.776 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.423 12.905 -4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.751 12.542 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.178 12.353 -3.455 1.00 0.00 H new ATOM 255 N THR A 17 -0.216 12.486 -2.391 1.00 0.00 N ATOM 256 CA THR A 17 -0.399 11.354 -3.229 1.00 0.00 C ATOM 257 C THR A 17 0.820 10.432 -3.153 1.00 0.00 C ATOM 258 O THR A 17 1.940 10.808 -3.537 1.00 0.00 O ATOM 259 CB THR A 17 -0.629 11.827 -4.679 1.00 0.00 C ATOM 260 OG1 THR A 17 0.355 12.840 -5.020 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.027 12.405 -4.843 1.00 0.00 C ATOM 0 H THR A 17 -0.152 13.366 -2.903 1.00 0.00 H new ATOM 0 HA THR A 17 -1.270 10.792 -2.892 1.00 0.00 H new ATOM 0 HB THR A 17 -0.526 10.970 -5.344 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.247 12.530 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.167 12.732 -5.873 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.767 11.642 -4.601 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.150 13.255 -4.172 1.00 0.00 H new ATOM 269 N LEU A 18 0.610 9.265 -2.631 1.00 0.00 N ATOM 270 CA LEU A 18 1.645 8.284 -2.484 1.00 0.00 C ATOM 271 C LEU A 18 1.082 6.996 -3.125 1.00 0.00 C ATOM 272 O LEU A 18 0.123 6.426 -2.651 1.00 0.00 O ATOM 273 CB LEU A 18 1.938 8.099 -0.960 1.00 0.00 C ATOM 274 CG LEU A 18 3.247 7.488 -0.456 1.00 0.00 C ATOM 275 CD1 LEU A 18 3.702 6.269 -1.156 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.355 8.499 -0.226 1.00 0.00 C ATOM 0 H LEU A 18 -0.301 8.959 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 18 2.584 8.564 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.854 9.084 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.130 7.489 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 18 2.970 7.123 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.638 5.924 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.946 5.490 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.858 6.492 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.248 7.985 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.580 9.011 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.034 9.227 0.519 1.00 0.00 H new ATOM 288 N MET A 19 1.594 6.639 -4.248 1.00 0.00 N ATOM 289 CA MET A 19 1.162 5.413 -4.931 1.00 0.00 C ATOM 290 C MET A 19 2.093 4.292 -4.519 1.00 0.00 C ATOM 291 O MET A 19 3.266 4.290 -4.879 1.00 0.00 O ATOM 292 CB MET A 19 1.117 5.603 -6.486 1.00 0.00 C ATOM 293 CG MET A 19 2.453 5.949 -7.144 1.00 0.00 C ATOM 294 SD MET A 19 2.330 6.429 -8.884 1.00 0.00 S ATOM 295 CE MET A 19 1.761 4.902 -9.632 1.00 0.00 C ATOM 0 H MET A 19 2.319 7.164 -4.738 1.00 0.00 H new ATOM 0 HA MET A 19 0.143 5.163 -4.636 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.737 4.686 -6.936 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.402 6.392 -6.718 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.918 6.763 -6.588 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.117 5.088 -7.064 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.759 5.007 -10.717 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.427 4.087 -9.348 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.751 4.682 -9.287 1.00 0.00 H new ATOM 305 N MET A 20 1.631 3.362 -3.728 1.00 0.00 N ATOM 306 CA MET A 20 2.569 2.402 -3.253 1.00 0.00 C ATOM 307 C MET A 20 2.402 1.037 -3.914 1.00 0.00 C ATOM 308 O MET A 20 1.273 0.570 -4.142 1.00 0.00 O ATOM 309 CB MET A 20 2.651 2.380 -1.697 1.00 0.00 C ATOM 310 CG MET A 20 1.738 1.446 -0.931 1.00 0.00 C ATOM 311 SD MET A 20 1.954 -0.262 -1.315 1.00 0.00 S ATOM 312 CE MET A 20 3.646 -0.363 -0.906 1.00 0.00 C ATOM 0 H MET A 20 0.666 3.255 -3.416 1.00 0.00 H new ATOM 0 HA MET A 20 3.559 2.726 -3.573 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.678 2.135 -1.424 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.460 3.393 -1.342 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.904 1.590 0.137 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.703 1.723 -1.132 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.984 -1.394 -1.008 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.221 0.276 -1.576 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.792 -0.034 0.123 1.00 0.00 H new ATOM 322 N PHE A 21 3.549 0.415 -4.140 1.00 0.00 N ATOM 323 CA PHE A 21 3.765 -0.837 -4.840 1.00 0.00 C ATOM 324 C PHE A 21 4.314 -1.902 -3.857 1.00 0.00 C ATOM 325 O PHE A 21 5.418 -1.762 -3.267 1.00 0.00 O ATOM 326 CB PHE A 21 4.739 -0.405 -5.949 1.00 0.00 C ATOM 327 CG PHE A 21 5.528 -1.368 -6.766 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.552 -2.120 -6.211 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.334 -1.407 -8.130 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.358 -2.906 -6.999 1.00 0.00 C ATOM 331 CE2 PHE A 21 6.131 -2.201 -8.922 1.00 0.00 C ATOM 332 CZ PHE A 21 7.147 -2.949 -8.357 1.00 0.00 C ATOM 0 H PHE A 21 4.428 0.811 -3.808 1.00 0.00 H new ATOM 0 HA PHE A 21 2.881 -1.319 -5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.159 0.192 -6.652 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.460 0.265 -5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.719 -2.088 -5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.553 -0.812 -8.579 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.153 -3.487 -6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.962 -2.240 -9.988 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.775 -3.567 -8.982 1.00 0.00 H new ATOM 342 N VAL A 22 3.504 -2.915 -3.651 1.00 0.00 N ATOM 343 CA VAL A 22 3.776 -4.007 -2.731 1.00 0.00 C ATOM 344 C VAL A 22 4.194 -5.259 -3.471 1.00 0.00 C ATOM 345 O VAL A 22 3.529 -5.676 -4.444 1.00 0.00 O ATOM 346 CB VAL A 22 2.518 -4.296 -1.836 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.477 -5.648 -1.289 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.486 -3.447 -0.676 1.00 0.00 C ATOM 0 H VAL A 22 2.609 -3.009 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 22 4.603 -3.705 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 22 1.683 -4.127 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.579 -5.768 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.464 -6.370 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.358 -5.817 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.602 -3.676 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.380 -3.616 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.452 -2.404 -0.990 1.00 0.00 H new ATOM 358 N THR A 23 5.269 -5.842 -3.002 1.00 0.00 N ATOM 359 CA THR A 23 5.775 -7.054 -3.513 1.00 0.00 C ATOM 360 C THR A 23 5.312 -8.237 -2.551 1.00 0.00 C ATOM 361 O THR A 23 5.530 -8.152 -1.298 1.00 0.00 O ATOM 362 CB THR A 23 7.308 -6.996 -3.586 1.00 0.00 C ATOM 363 OG1 THR A 23 7.702 -5.926 -4.466 1.00 0.00 O ATOM 364 CG2 THR A 23 7.893 -8.315 -4.070 1.00 0.00 C ATOM 0 H THR A 23 5.819 -5.461 -2.232 1.00 0.00 H new ATOM 0 HA THR A 23 5.393 -7.224 -4.520 1.00 0.00 H new ATOM 0 HB THR A 23 7.695 -6.812 -2.584 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.421 -5.407 -4.049 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.980 -8.238 -4.110 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.610 -9.112 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.509 -8.540 -5.065 1.00 0.00 H new ATOM 372 N VAL A 24 4.731 -9.310 -3.125 1.00 0.00 N ATOM 373 CA VAL A 24 4.093 -10.395 -2.463 1.00 0.00 C ATOM 374 C VAL A 24 4.830 -11.698 -2.917 1.00 0.00 C ATOM 375 O VAL A 24 4.603 -12.128 -4.008 1.00 0.00 O ATOM 376 CB VAL A 24 2.658 -10.415 -3.068 1.00 0.00 C ATOM 377 CG1 VAL A 24 1.847 -11.536 -2.553 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.941 -9.103 -2.814 1.00 0.00 C ATOM 0 H VAL A 24 4.711 -9.420 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 24 4.095 -10.316 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 24 2.778 -10.556 -4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.856 -11.506 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.331 -12.480 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.755 -11.451 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.942 -9.145 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.864 -8.932 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.501 -8.288 -3.272 1.00 0.00 H new ATOM 388 N SER A 25 5.738 -12.325 -2.140 1.00 0.00 N ATOM 389 CA SER A 25 6.522 -13.369 -2.777 1.00 0.00 C ATOM 390 C SER A 25 6.291 -14.780 -2.230 1.00 0.00 C ATOM 391 O SER A 25 6.923 -15.725 -2.710 1.00 0.00 O ATOM 392 CB SER A 25 7.976 -13.013 -2.685 1.00 0.00 C ATOM 393 OG SER A 25 8.163 -11.605 -2.843 1.00 0.00 O ATOM 0 H SER A 25 5.928 -12.140 -1.155 1.00 0.00 H new ATOM 0 HA SER A 25 6.185 -13.410 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.373 -13.332 -1.721 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.536 -13.547 -3.453 1.00 0.00 H new ATOM 0 HG SER A 25 9.117 -11.392 -2.778 1.00 0.00 H new ATOM 399 N GLY A 26 5.423 -14.928 -1.221 1.00 0.00 N ATOM 400 CA GLY A 26 5.126 -16.267 -0.680 1.00 0.00 C ATOM 401 C GLY A 26 4.627 -17.199 -1.779 1.00 0.00 C ATOM 402 O GLY A 26 5.122 -18.312 -1.928 1.00 0.00 O ATOM 0 H GLY A 26 4.924 -14.161 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.022 -16.685 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.374 -16.188 0.105 1.00 0.00 H new ATOM 406 N ASN A 27 3.679 -16.725 -2.563 1.00 0.00 N ATOM 407 CA ASN A 27 3.266 -17.373 -3.735 1.00 0.00 C ATOM 408 C ASN A 27 3.669 -16.361 -4.761 1.00 0.00 C ATOM 409 O ASN A 27 3.259 -15.240 -4.647 1.00 0.00 O ATOM 410 CB ASN A 27 1.736 -17.538 -3.745 1.00 0.00 C ATOM 411 CG ASN A 27 1.234 -18.435 -4.868 1.00 0.00 C ATOM 412 OD1 ASN A 27 1.068 -19.635 -4.682 1.00 0.00 O ATOM 413 ND2 ASN A 27 0.978 -17.878 -6.023 1.00 0.00 N ATOM 0 H ASN A 27 3.179 -15.856 -2.375 1.00 0.00 H new ATOM 0 HA ASN A 27 3.682 -18.371 -3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.416 -17.951 -2.789 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.272 -16.556 -3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.631 -18.445 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.125 -16.877 -6.150 1.00 0.00 H new ATOM 420 N PRO A 28 4.571 -16.662 -5.648 1.00 0.00 N ATOM 421 CA PRO A 28 5.018 -15.716 -6.649 1.00 0.00 C ATOM 422 C PRO A 28 4.459 -16.060 -8.025 1.00 0.00 C ATOM 423 O PRO A 28 5.105 -15.804 -9.056 1.00 0.00 O ATOM 424 CB PRO A 28 6.521 -15.994 -6.626 1.00 0.00 C ATOM 425 CG PRO A 28 6.637 -17.478 -6.351 1.00 0.00 C ATOM 426 CD PRO A 28 5.320 -17.920 -5.741 1.00 0.00 C ATOM 0 HA PRO A 28 4.719 -14.685 -6.458 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.986 -15.730 -7.576 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.020 -15.409 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.839 -18.026 -7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.464 -17.681 -5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.808 -18.651 -6.367 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.461 -18.381 -4.763 1.00 0.00 H new ATOM 434 N THR A 29 3.258 -16.579 -8.074 1.00 0.00 N ATOM 435 CA THR A 29 2.801 -17.149 -9.350 1.00 0.00 C ATOM 436 C THR A 29 1.386 -16.644 -9.833 1.00 0.00 C ATOM 437 O THR A 29 0.510 -17.473 -10.090 1.00 0.00 O ATOM 438 CB THR A 29 2.765 -18.702 -9.202 1.00 0.00 C ATOM 439 OG1 THR A 29 3.914 -19.137 -8.444 1.00 0.00 O ATOM 440 CG2 THR A 29 2.812 -19.393 -10.567 1.00 0.00 C ATOM 0 H THR A 29 2.597 -16.627 -7.299 1.00 0.00 H new ATOM 0 HA THR A 29 3.507 -16.816 -10.111 1.00 0.00 H new ATOM 0 HB THR A 29 1.836 -18.967 -8.697 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.893 -20.112 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.785 -20.474 -10.429 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.953 -19.082 -11.162 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.731 -19.116 -11.084 1.00 0.00 H new ATOM 448 N GLU A 30 1.148 -15.293 -9.956 1.00 0.00 N ATOM 449 CA GLU A 30 -0.136 -14.712 -10.441 1.00 0.00 C ATOM 450 C GLU A 30 -1.401 -15.053 -9.617 1.00 0.00 C ATOM 451 O GLU A 30 -2.403 -14.326 -9.693 1.00 0.00 O ATOM 452 CB GLU A 30 -0.349 -14.947 -11.932 1.00 0.00 C ATOM 453 CG GLU A 30 0.544 -14.087 -12.806 1.00 0.00 C ATOM 454 CD GLU A 30 0.474 -14.476 -14.255 1.00 0.00 C ATOM 455 OE1 GLU A 30 -0.551 -14.226 -14.907 1.00 0.00 O ATOM 456 OE2 GLU A 30 1.444 -15.069 -14.766 1.00 0.00 O ATOM 0 H GLU A 30 1.845 -14.587 -9.720 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.002 -13.643 -10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.165 -15.997 -12.158 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.391 -14.746 -12.180 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.254 -13.042 -12.699 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.574 -14.169 -12.460 1.00 0.00 H new ATOM 463 N LYS A 31 -1.362 -16.118 -8.848 1.00 0.00 N ATOM 464 CA LYS A 31 -2.472 -16.516 -8.022 1.00 0.00 C ATOM 465 C LYS A 31 -2.614 -15.524 -6.920 1.00 0.00 C ATOM 466 O LYS A 31 -3.712 -15.099 -6.569 1.00 0.00 O ATOM 467 CB LYS A 31 -2.260 -17.936 -7.434 1.00 0.00 C ATOM 468 CG LYS A 31 -3.519 -18.523 -6.759 1.00 0.00 C ATOM 469 CD LYS A 31 -3.795 -17.926 -5.376 1.00 0.00 C ATOM 470 CE LYS A 31 -5.225 -18.166 -4.928 1.00 0.00 C ATOM 471 NZ LYS A 31 -5.530 -19.603 -4.764 1.00 0.00 N ATOM 0 H LYS A 31 -0.552 -16.734 -8.780 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.377 -16.546 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.941 -18.606 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.451 -17.900 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.382 -18.350 -7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.403 -19.603 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.109 -18.362 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.597 -16.854 -5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.398 -17.650 -3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.909 -17.733 -5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.501 -19.713 -4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.440 -20.084 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.863 -20.024 -4.086 1.00 0.00 H new ATOM 485 N GLU A 32 -1.514 -15.144 -6.390 1.00 0.00 N ATOM 486 CA GLU A 32 -1.500 -14.219 -5.317 1.00 0.00 C ATOM 487 C GLU A 32 -1.959 -12.875 -5.863 1.00 0.00 C ATOM 488 O GLU A 32 -2.778 -12.221 -5.267 1.00 0.00 O ATOM 489 CB GLU A 32 -0.099 -14.192 -4.629 1.00 0.00 C ATOM 490 CG GLU A 32 1.005 -13.485 -5.384 1.00 0.00 C ATOM 491 CD GLU A 32 1.193 -14.120 -6.733 1.00 0.00 C ATOM 492 OE1 GLU A 32 1.262 -15.363 -6.807 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.077 -13.417 -7.740 1.00 0.00 O ATOM 0 H GLU A 32 -0.593 -15.465 -6.687 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.188 -14.510 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.206 -13.716 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.214 -15.221 -4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.759 -12.430 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.934 -13.535 -4.817 1.00 0.00 H new ATOM 500 N THR A 33 -1.469 -12.550 -7.054 1.00 0.00 N ATOM 501 CA THR A 33 -1.868 -11.389 -7.801 1.00 0.00 C ATOM 502 C THR A 33 -3.400 -11.283 -7.854 1.00 0.00 C ATOM 503 O THR A 33 -3.957 -10.284 -7.447 1.00 0.00 O ATOM 504 CB THR A 33 -1.324 -11.467 -9.246 1.00 0.00 C ATOM 505 OG1 THR A 33 0.106 -11.594 -9.235 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.706 -10.233 -10.026 1.00 0.00 C ATOM 0 H THR A 33 -0.763 -13.111 -7.530 1.00 0.00 H new ATOM 0 HA THR A 33 -1.459 -10.511 -7.301 1.00 0.00 H new ATOM 0 HB THR A 33 -1.763 -12.343 -9.724 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.361 -12.378 -8.706 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.314 -10.308 -11.040 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.792 -10.147 -10.062 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.289 -9.351 -9.540 1.00 0.00 H new ATOM 514 N GLU A 34 -4.062 -12.348 -8.283 1.00 0.00 N ATOM 515 CA GLU A 34 -5.514 -12.339 -8.434 1.00 0.00 C ATOM 516 C GLU A 34 -6.265 -12.289 -7.094 1.00 0.00 C ATOM 517 O GLU A 34 -7.157 -11.421 -6.907 1.00 0.00 O ATOM 518 CB GLU A 34 -5.968 -13.489 -9.313 1.00 0.00 C ATOM 519 CG GLU A 34 -5.621 -14.865 -8.779 1.00 0.00 C ATOM 520 CD GLU A 34 -5.983 -15.962 -9.736 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.388 -16.040 -10.840 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.868 -16.763 -9.420 1.00 0.00 O ATOM 0 H GLU A 34 -3.618 -13.231 -8.534 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.777 -11.409 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.048 -13.426 -9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.521 -13.373 -10.300 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.553 -14.910 -8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.140 -15.026 -7.834 1.00 0.00 H new ATOM 529 N GLU A 35 -5.867 -13.180 -6.168 1.00 0.00 N ATOM 530 CA GLU A 35 -6.431 -13.303 -4.798 1.00 0.00 C ATOM 531 C GLU A 35 -6.449 -11.917 -4.176 1.00 0.00 C ATOM 532 O GLU A 35 -7.500 -11.327 -3.875 1.00 0.00 O ATOM 533 CB GLU A 35 -5.442 -14.195 -3.946 1.00 0.00 C ATOM 534 CG GLU A 35 -5.867 -14.466 -2.512 1.00 0.00 C ATOM 535 CD GLU A 35 -7.066 -15.366 -2.433 1.00 0.00 C ATOM 536 OE1 GLU A 35 -6.886 -16.591 -2.452 1.00 0.00 O ATOM 537 OE2 GLU A 35 -8.211 -14.873 -2.355 1.00 0.00 O ATOM 0 H GLU A 35 -5.125 -13.856 -6.350 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.431 -13.737 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.315 -15.151 -4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.466 -13.710 -3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.038 -14.921 -1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.092 -13.521 -2.017 1.00 0.00 H new ATOM 544 N ILE A 36 -5.279 -11.408 -4.100 1.00 0.00 N ATOM 545 CA ILE A 36 -4.960 -10.183 -3.506 1.00 0.00 C ATOM 546 C ILE A 36 -5.583 -8.992 -4.225 1.00 0.00 C ATOM 547 O ILE A 36 -6.123 -8.144 -3.585 1.00 0.00 O ATOM 548 CB ILE A 36 -3.440 -10.104 -3.454 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.889 -10.937 -2.266 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.904 -8.703 -3.504 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.448 -11.290 -2.421 1.00 0.00 C ATOM 0 H ILE A 36 -4.460 -11.880 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.381 -10.133 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.064 -10.557 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.022 -10.374 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.473 -11.852 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.815 -8.728 -3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.221 -8.225 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.286 -8.137 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.121 -11.872 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.313 -11.878 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.855 -10.378 -2.489 1.00 0.00 H new ATOM 563 N THR A 37 -5.546 -8.926 -5.533 1.00 0.00 N ATOM 564 CA THR A 37 -6.073 -7.737 -6.165 1.00 0.00 C ATOM 565 C THR A 37 -7.571 -7.615 -5.975 1.00 0.00 C ATOM 566 O THR A 37 -8.048 -6.582 -5.479 1.00 0.00 O ATOM 567 CB THR A 37 -5.662 -7.583 -7.634 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.909 -8.815 -8.347 1.00 0.00 O ATOM 569 CG2 THR A 37 -4.180 -7.187 -7.731 1.00 0.00 C ATOM 0 H THR A 37 -5.176 -9.642 -6.158 1.00 0.00 H new ATOM 0 HA THR A 37 -5.607 -6.898 -5.648 1.00 0.00 H new ATOM 0 HB THR A 37 -6.259 -6.793 -8.090 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.111 -9.382 -8.307 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.900 -7.081 -8.779 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.022 -6.240 -7.215 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.566 -7.959 -7.268 1.00 0.00 H new ATOM 577 N SER A 38 -8.287 -8.694 -6.249 1.00 0.00 N ATOM 578 CA SER A 38 -9.723 -8.690 -6.121 1.00 0.00 C ATOM 579 C SER A 38 -10.158 -8.454 -4.663 1.00 0.00 C ATOM 580 O SER A 38 -10.830 -7.459 -4.360 1.00 0.00 O ATOM 581 CB SER A 38 -10.312 -9.992 -6.690 1.00 0.00 C ATOM 582 OG SER A 38 -9.690 -11.145 -6.111 1.00 0.00 O ATOM 0 H SER A 38 -7.891 -9.581 -6.561 1.00 0.00 H new ATOM 0 HA SER A 38 -10.118 -7.858 -6.704 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.385 -10.021 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.180 -10.010 -7.772 1.00 0.00 H new ATOM 0 HG SER A 38 -8.928 -11.417 -6.663 1.00 0.00 H new ATOM 588 N LEU A 39 -9.692 -9.317 -3.762 1.00 0.00 N ATOM 589 CA LEU A 39 -10.105 -9.269 -2.370 1.00 0.00 C ATOM 590 C LEU A 39 -9.606 -8.011 -1.659 1.00 0.00 C ATOM 591 O LEU A 39 -10.346 -7.377 -0.893 1.00 0.00 O ATOM 592 CB LEU A 39 -9.655 -10.550 -1.626 1.00 0.00 C ATOM 593 CG LEU A 39 -9.969 -10.627 -0.132 1.00 0.00 C ATOM 594 CD1 LEU A 39 -11.474 -10.618 0.104 1.00 0.00 C ATOM 595 CD2 LEU A 39 -9.334 -11.867 0.474 1.00 0.00 C ATOM 0 H LEU A 39 -9.026 -10.059 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.194 -9.224 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.118 -11.407 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.577 -10.655 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.548 -9.749 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.675 -10.674 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.900 -9.699 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.926 -11.475 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.565 -11.911 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.728 -12.756 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.253 -11.826 0.338 1.00 0.00 H new ATOM 607 N TRP A 40 -8.395 -7.602 -1.947 1.00 0.00 N ATOM 608 CA TRP A 40 -7.813 -6.505 -1.231 1.00 0.00 C ATOM 609 C TRP A 40 -8.294 -5.169 -1.730 1.00 0.00 C ATOM 610 O TRP A 40 -8.667 -4.319 -0.925 1.00 0.00 O ATOM 611 CB TRP A 40 -6.323 -6.540 -1.265 1.00 0.00 C ATOM 612 CG TRP A 40 -5.652 -7.646 -0.519 1.00 0.00 C ATOM 613 CD1 TRP A 40 -6.215 -8.677 0.163 1.00 0.00 C ATOM 614 CD2 TRP A 40 -4.260 -7.805 -0.403 1.00 0.00 C ATOM 615 NE1 TRP A 40 -5.226 -9.472 0.684 1.00 0.00 N ATOM 616 CE2 TRP A 40 -4.016 -8.938 0.353 1.00 0.00 C ATOM 617 CE3 TRP A 40 -3.207 -7.081 -0.875 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -2.726 -9.370 0.648 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.913 -7.483 -0.585 1.00 0.00 C ATOM 620 CH2 TRP A 40 -1.659 -8.616 0.169 1.00 0.00 C ATOM 0 H TRP A 40 -7.801 -8.012 -2.668 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.144 -6.624 -0.199 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.010 -6.596 -2.307 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.953 -5.593 -0.871 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.276 -8.845 0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.372 -10.322 1.229 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.380 -6.198 -1.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.558 -10.263 1.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.084 -6.899 -0.956 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.643 -8.912 0.383 1.00 0.00 H new ATOM 631 N GLN A 41 -8.280 -4.929 -3.047 1.00 0.00 N ATOM 632 CA GLN A 41 -8.779 -3.634 -3.480 1.00 0.00 C ATOM 633 C GLN A 41 -10.285 -3.589 -3.336 1.00 0.00 C ATOM 634 O GLN A 41 -10.860 -2.524 -3.133 1.00 0.00 O ATOM 635 CB GLN A 41 -8.222 -3.115 -4.857 1.00 0.00 C ATOM 636 CG GLN A 41 -8.807 -3.641 -6.159 1.00 0.00 C ATOM 637 CD GLN A 41 -9.854 -2.699 -6.725 1.00 0.00 C ATOM 638 OE1 GLN A 41 -11.045 -2.810 -6.418 1.00 0.00 O ATOM 639 NE2 GLN A 41 -9.420 -1.755 -7.547 1.00 0.00 N ATOM 0 H GLN A 41 -7.954 -5.563 -3.776 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.361 -2.889 -2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.335 -2.031 -4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.152 -3.324 -4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.008 -3.778 -6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.253 -4.621 -5.988 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.428 -1.695 -7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.078 -1.088 -7.950 1.00 0.00 H new ATOM 648 N GLY A 42 -10.911 -4.774 -3.338 1.00 0.00 N ATOM 649 CA GLY A 42 -12.311 -4.859 -3.072 1.00 0.00 C ATOM 650 C GLY A 42 -12.607 -4.350 -1.686 1.00 0.00 C ATOM 651 O GLY A 42 -13.417 -3.465 -1.524 1.00 0.00 O ATOM 0 H GLY A 42 -10.454 -5.667 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.865 -4.276 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.645 -5.892 -3.167 1.00 0.00 H new ATOM 655 N SER A 43 -11.889 -4.866 -0.699 1.00 0.00 N ATOM 656 CA SER A 43 -12.066 -4.437 0.675 1.00 0.00 C ATOM 657 C SER A 43 -11.631 -2.968 0.900 1.00 0.00 C ATOM 658 O SER A 43 -12.315 -2.220 1.615 1.00 0.00 O ATOM 659 CB SER A 43 -11.384 -5.414 1.642 1.00 0.00 C ATOM 660 OG SER A 43 -10.071 -5.743 1.205 1.00 0.00 O ATOM 0 H SER A 43 -11.177 -5.585 -0.828 1.00 0.00 H new ATOM 0 HA SER A 43 -13.134 -4.457 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.338 -4.971 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.980 -6.323 1.725 1.00 0.00 H new ATOM 0 HG SER A 43 -10.098 -6.571 0.682 1.00 0.00 H new ATOM 666 N LEU A 44 -10.526 -2.540 0.253 1.00 0.00 N ATOM 667 CA LEU A 44 -10.081 -1.146 0.359 1.00 0.00 C ATOM 668 C LEU A 44 -11.131 -0.159 -0.150 1.00 0.00 C ATOM 669 O LEU A 44 -11.296 0.933 0.416 1.00 0.00 O ATOM 670 CB LEU A 44 -8.700 -0.869 -0.277 1.00 0.00 C ATOM 671 CG LEU A 44 -7.473 -1.503 0.367 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.171 -0.838 -0.214 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.574 -1.352 1.888 1.00 0.00 C ATOM 0 H LEU A 44 -9.940 -3.131 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.954 -0.982 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.739 -1.198 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.549 0.210 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.424 -2.568 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.294 -1.292 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.134 -0.991 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.182 0.231 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.700 -1.803 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.619 -0.294 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.475 -1.851 2.244 1.00 0.00 H new ATOM 685 N PHE A 45 -11.863 -0.535 -1.186 1.00 0.00 N ATOM 686 CA PHE A 45 -12.931 0.312 -1.677 1.00 0.00 C ATOM 687 C PHE A 45 -14.228 0.049 -0.898 1.00 0.00 C ATOM 688 O PHE A 45 -15.082 0.920 -0.772 1.00 0.00 O ATOM 689 CB PHE A 45 -13.139 0.130 -3.189 1.00 0.00 C ATOM 690 CG PHE A 45 -12.067 0.764 -4.058 1.00 0.00 C ATOM 691 CD1 PHE A 45 -10.797 0.223 -4.149 1.00 0.00 C ATOM 692 CD2 PHE A 45 -12.350 1.896 -4.795 1.00 0.00 C ATOM 693 CE1 PHE A 45 -9.835 0.795 -4.949 1.00 0.00 C ATOM 694 CE2 PHE A 45 -11.390 2.476 -5.597 1.00 0.00 C ATOM 695 CZ PHE A 45 -10.131 1.922 -5.674 1.00 0.00 C ATOM 0 H PHE A 45 -11.738 -1.410 -1.696 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.643 1.350 -1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.183 -0.936 -3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.106 0.552 -3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.556 -0.664 -3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.336 2.333 -4.743 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.849 0.358 -5.006 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.625 3.364 -6.165 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.379 2.374 -6.304 1.00 0.00 H new ATOM 705 N ASN A 46 -14.342 -1.145 -0.346 1.00 0.00 N ATOM 706 CA ASN A 46 -15.516 -1.567 0.436 1.00 0.00 C ATOM 707 C ASN A 46 -15.617 -0.806 1.759 1.00 0.00 C ATOM 708 O ASN A 46 -16.715 -0.528 2.235 1.00 0.00 O ATOM 709 CB ASN A 46 -15.507 -3.103 0.667 1.00 0.00 C ATOM 710 CG ASN A 46 -16.682 -3.618 1.474 1.00 0.00 C ATOM 711 OD1 ASN A 46 -16.622 -3.701 2.701 1.00 0.00 O ATOM 712 ND2 ASN A 46 -17.733 -4.007 0.798 1.00 0.00 N ATOM 0 H ASN A 46 -13.622 -1.864 -0.422 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.404 -1.320 -0.146 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.498 -3.604 -0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.583 -3.377 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.539 -4.395 1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.746 -3.922 -0.218 1.00 0.00 H new ATOM 719 N ALA A 47 -14.475 -0.435 2.334 1.00 0.00 N ATOM 720 CA ALA A 47 -14.474 0.341 3.570 1.00 0.00 C ATOM 721 C ALA A 47 -14.548 1.836 3.258 1.00 0.00 C ATOM 722 O ALA A 47 -14.493 2.677 4.152 1.00 0.00 O ATOM 723 CB ALA A 47 -13.253 0.022 4.410 1.00 0.00 C ATOM 0 H ALA A 47 -13.549 -0.656 1.968 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.356 0.066 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.276 0.613 5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.252 -1.038 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.351 0.261 3.847 1.00 0.00 H new ATOM 729 N ASN A 48 -14.653 2.130 1.971 1.00 0.00 N ATOM 730 CA ASN A 48 -14.820 3.470 1.432 1.00 0.00 C ATOM 731 C ASN A 48 -13.700 4.464 1.838 1.00 0.00 C ATOM 732 O ASN A 48 -13.945 5.422 2.574 1.00 0.00 O ATOM 733 CB ASN A 48 -16.214 4.046 1.788 1.00 0.00 C ATOM 734 CG ASN A 48 -16.487 5.428 1.174 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.963 5.781 0.100 1.00 0.00 O ATOM 736 ND2 ASN A 48 -17.309 6.202 1.832 1.00 0.00 N ATOM 0 H ASN A 48 -14.623 1.413 1.246 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.741 3.356 0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.982 3.350 1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.302 4.116 2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.539 7.127 1.469 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.720 5.881 2.709 1.00 0.00 H new ATOM 743 N TYR A 49 -12.449 4.195 1.480 1.00 0.00 N ATOM 744 CA TYR A 49 -11.472 5.232 1.580 1.00 0.00 C ATOM 745 C TYR A 49 -11.295 5.792 0.152 1.00 0.00 C ATOM 746 O TYR A 49 -11.769 5.151 -0.799 1.00 0.00 O ATOM 747 CB TYR A 49 -10.150 4.699 2.100 1.00 0.00 C ATOM 748 CG TYR A 49 -10.103 4.328 3.544 1.00 0.00 C ATOM 749 CD1 TYR A 49 -10.115 5.294 4.539 1.00 0.00 C ATOM 750 CD2 TYR A 49 -10.002 3.005 3.912 1.00 0.00 C ATOM 751 CE1 TYR A 49 -10.034 4.941 5.867 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.913 2.641 5.233 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.929 3.609 6.211 1.00 0.00 C ATOM 754 OH TYR A 49 -9.826 3.239 7.537 1.00 0.00 O ATOM 0 H TYR A 49 -12.112 3.297 1.132 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.797 6.001 2.281 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.882 3.820 1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.383 5.451 1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.189 6.337 4.268 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.993 2.241 3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.053 5.701 6.634 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.831 1.599 5.504 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.762 2.263 7.600 1.00 0.00 H new ATOM 764 N ASP A 50 -10.632 6.927 -0.044 1.00 0.00 N ATOM 765 CA ASP A 50 -10.488 7.457 -1.389 1.00 0.00 C ATOM 766 C ASP A 50 -9.137 7.050 -1.917 1.00 0.00 C ATOM 767 O ASP A 50 -8.111 7.621 -1.540 1.00 0.00 O ATOM 768 CB ASP A 50 -10.659 8.975 -1.408 1.00 0.00 C ATOM 769 CG ASP A 50 -10.600 9.554 -2.802 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.634 9.532 -3.519 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.541 10.068 -3.200 1.00 0.00 O ATOM 0 H ASP A 50 -10.197 7.483 0.692 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.269 7.048 -2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.615 9.234 -0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.880 9.431 -0.797 1.00 0.00 H new ATOM 776 N VAL A 51 -9.146 6.035 -2.732 1.00 0.00 N ATOM 777 CA VAL A 51 -7.944 5.366 -3.214 1.00 0.00 C ATOM 778 C VAL A 51 -8.124 4.870 -4.623 1.00 0.00 C ATOM 779 O VAL A 51 -9.194 4.982 -5.211 1.00 0.00 O ATOM 780 CB VAL A 51 -7.638 4.105 -2.371 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.915 4.399 -1.057 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.941 3.364 -2.145 1.00 0.00 C ATOM 0 H VAL A 51 -10.007 5.629 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.143 6.102 -3.148 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.937 3.483 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.736 3.466 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.962 4.885 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.530 5.056 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.753 2.469 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.640 4.010 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.369 3.079 -3.106 1.00 0.00 H new ATOM 792 N GLN A 52 -7.061 4.320 -5.128 1.00 0.00 N ATOM 793 CA GLN A 52 -6.987 3.640 -6.402 1.00 0.00 C ATOM 794 C GLN A 52 -6.090 2.462 -6.131 1.00 0.00 C ATOM 795 O GLN A 52 -5.214 2.563 -5.298 1.00 0.00 O ATOM 796 CB GLN A 52 -6.322 4.547 -7.440 1.00 0.00 C ATOM 797 CG GLN A 52 -7.018 5.882 -7.660 1.00 0.00 C ATOM 798 CD GLN A 52 -6.198 6.844 -8.495 1.00 0.00 C ATOM 799 OE1 GLN A 52 -6.293 8.058 -8.334 1.00 0.00 O ATOM 800 NE2 GLN A 52 -5.388 6.323 -9.373 1.00 0.00 N ATOM 0 H GLN A 52 -6.166 4.330 -4.639 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.968 3.359 -6.786 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.294 4.736 -7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.277 4.016 -8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.977 5.710 -8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.231 6.338 -6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.335 5.310 -9.480 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.807 6.928 -9.953 1.00 0.00 H new ATOM 809 N ARG A 53 -6.314 1.360 -6.741 1.00 0.00 N ATOM 810 CA ARG A 53 -5.468 0.208 -6.516 1.00 0.00 C ATOM 811 C ARG A 53 -5.275 -0.566 -7.761 1.00 0.00 C ATOM 812 O ARG A 53 -6.200 -0.684 -8.558 1.00 0.00 O ATOM 813 CB ARG A 53 -5.981 -0.676 -5.420 1.00 0.00 C ATOM 814 CG ARG A 53 -5.663 -0.216 -4.045 1.00 0.00 C ATOM 815 CD ARG A 53 -5.863 -1.359 -3.157 1.00 0.00 C ATOM 816 NE ARG A 53 -5.196 -2.590 -3.617 1.00 0.00 N ATOM 817 CZ ARG A 53 -4.962 -3.676 -2.879 1.00 0.00 C ATOM 818 NH1 ARG A 53 -5.249 -3.681 -1.571 1.00 0.00 N ATOM 819 NH2 ARG A 53 -4.441 -4.755 -3.458 1.00 0.00 N ATOM 0 H ARG A 53 -7.074 1.212 -7.406 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.501 0.593 -6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.063 -0.760 -5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.570 -1.676 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.636 0.143 -3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.308 0.614 -3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.493 -1.105 -2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.932 -1.550 -3.060 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.885 -2.614 -4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.649 -2.851 -1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.068 -4.515 -1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.225 -4.745 -4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.257 -5.592 -2.905 1.00 0.00 H new ATOM 833 N PHE A 54 -4.093 -1.121 -7.945 1.00 0.00 N ATOM 834 CA PHE A 54 -3.804 -1.715 -9.251 1.00 0.00 C ATOM 835 C PHE A 54 -3.174 -3.088 -9.234 1.00 0.00 C ATOM 836 O PHE A 54 -2.504 -3.488 -8.244 1.00 0.00 O ATOM 837 CB PHE A 54 -2.962 -0.771 -10.131 1.00 0.00 C ATOM 838 CG PHE A 54 -3.700 0.434 -10.654 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.444 0.344 -11.815 1.00 0.00 C ATOM 840 CD2 PHE A 54 -3.647 1.649 -9.992 1.00 0.00 C ATOM 841 CE1 PHE A 54 -5.120 1.439 -12.308 1.00 0.00 C ATOM 842 CE2 PHE A 54 -4.320 2.748 -10.476 1.00 0.00 C ATOM 843 CZ PHE A 54 -5.060 2.645 -11.638 1.00 0.00 C ATOM 0 H PHE A 54 -3.347 -1.177 -7.252 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.795 -1.857 -9.681 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.102 -0.430 -9.554 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.574 -1.337 -10.978 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.496 -0.597 -12.343 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.070 1.736 -9.083 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.696 1.354 -13.218 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.270 3.689 -9.948 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.590 3.505 -12.021 1.00 0.00 H new ATOM 853 N ILE A 55 -3.461 -3.825 -10.315 1.00 0.00 N ATOM 854 CA ILE A 55 -2.787 -5.050 -10.665 1.00 0.00 C ATOM 855 C ILE A 55 -1.677 -4.613 -11.583 1.00 0.00 C ATOM 856 O ILE A 55 -1.920 -4.257 -12.746 1.00 0.00 O ATOM 857 CB ILE A 55 -3.661 -6.048 -11.488 1.00 0.00 C ATOM 858 CG1 ILE A 55 -5.010 -6.315 -10.819 1.00 0.00 C ATOM 859 CG2 ILE A 55 -2.892 -7.360 -11.703 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.828 -7.396 -11.493 1.00 0.00 C ATOM 0 H ILE A 55 -4.191 -3.565 -10.979 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.490 -5.563 -9.750 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.870 -5.591 -12.455 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.839 -6.597 -9.780 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.588 -5.391 -10.807 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.507 -8.052 -12.278 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.970 -7.156 -12.247 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.653 -7.804 -10.737 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.770 -7.526 -10.959 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.032 -7.108 -12.524 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.272 -8.334 -11.481 1.00 0.00 H new ATOM 872 N VAL A 56 -0.510 -4.568 -11.079 1.00 0.00 N ATOM 873 CA VAL A 56 0.590 -4.075 -11.834 1.00 0.00 C ATOM 874 C VAL A 56 1.590 -5.159 -12.157 1.00 0.00 C ATOM 875 O VAL A 56 2.285 -5.078 -13.173 1.00 0.00 O ATOM 876 CB VAL A 56 1.263 -2.865 -11.146 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.394 -1.630 -11.276 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.489 -3.152 -9.680 1.00 0.00 C ATOM 0 H VAL A 56 -0.279 -4.869 -10.132 1.00 0.00 H new ATOM 0 HA VAL A 56 0.186 -3.724 -12.783 1.00 0.00 H new ATOM 0 HB VAL A 56 2.221 -2.689 -11.636 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.883 -0.788 -10.786 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.245 -1.400 -12.331 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.572 -1.813 -10.805 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.963 -2.291 -9.210 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.532 -3.349 -9.196 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.135 -4.024 -9.575 1.00 0.00 H new ATOM 888 N GLY A 57 1.675 -6.183 -11.329 1.00 0.00 N ATOM 889 CA GLY A 57 2.604 -7.212 -11.630 1.00 0.00 C ATOM 890 C GLY A 57 2.300 -8.500 -10.967 1.00 0.00 C ATOM 891 O GLY A 57 1.531 -8.564 -10.000 1.00 0.00 O ATOM 0 H GLY A 57 1.127 -6.308 -10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.626 -7.365 -12.709 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.601 -6.887 -11.333 1.00 0.00 H new ATOM 895 N SER A 58 2.879 -9.524 -11.500 1.00 0.00 N ATOM 896 CA SER A 58 2.805 -10.827 -10.939 1.00 0.00 C ATOM 897 C SER A 58 3.507 -10.741 -9.601 1.00 0.00 C ATOM 898 O SER A 58 4.599 -10.174 -9.547 1.00 0.00 O ATOM 899 CB SER A 58 3.562 -11.783 -11.856 1.00 0.00 C ATOM 900 OG SER A 58 3.173 -11.604 -13.226 1.00 0.00 O ATOM 0 H SER A 58 3.429 -9.474 -12.358 1.00 0.00 H new ATOM 0 HA SER A 58 1.780 -11.179 -10.826 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.634 -11.616 -11.755 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.370 -12.812 -11.552 1.00 0.00 H new ATOM 0 HG SER A 58 3.674 -12.227 -13.792 1.00 0.00 H new ATOM 906 N ASP A 59 2.815 -11.140 -8.533 1.00 0.00 N ATOM 907 CA ASP A 59 3.320 -11.161 -7.169 1.00 0.00 C ATOM 908 C ASP A 59 3.526 -9.737 -6.681 1.00 0.00 C ATOM 909 O ASP A 59 4.222 -9.491 -5.718 1.00 0.00 O ATOM 910 CB ASP A 59 4.594 -12.105 -6.964 1.00 0.00 C ATOM 911 CG ASP A 59 5.986 -11.563 -7.382 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.673 -10.875 -6.580 1.00 0.00 O ATOM 913 OD2 ASP A 59 6.460 -11.896 -8.506 1.00 0.00 O ATOM 0 H ASP A 59 1.852 -11.469 -8.602 1.00 0.00 H new ATOM 0 HA ASP A 59 2.564 -11.628 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.644 -12.371 -5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.417 -13.027 -7.517 1.00 0.00 H new ATOM 918 N ARG A 60 2.830 -8.778 -7.324 1.00 0.00 N ATOM 919 CA ARG A 60 2.996 -7.403 -6.971 1.00 0.00 C ATOM 920 C ARG A 60 1.725 -6.516 -7.291 1.00 0.00 C ATOM 921 O ARG A 60 1.303 -6.351 -8.454 1.00 0.00 O ATOM 922 CB ARG A 60 4.345 -6.943 -7.563 1.00 0.00 C ATOM 923 CG ARG A 60 4.667 -5.506 -7.467 1.00 0.00 C ATOM 924 CD ARG A 60 4.153 -4.835 -8.672 1.00 0.00 C ATOM 925 NE ARG A 60 4.850 -5.311 -9.901 1.00 0.00 N ATOM 926 CZ ARG A 60 4.948 -4.645 -11.073 1.00 0.00 C ATOM 927 NH1 ARG A 60 4.422 -3.435 -11.201 1.00 0.00 N ATOM 928 NH2 ARG A 60 5.600 -5.189 -12.100 1.00 0.00 N ATOM 0 H ARG A 60 2.163 -8.952 -8.076 1.00 0.00 H new ATOM 0 HA ARG A 60 3.055 -7.269 -5.891 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.139 -7.501 -7.068 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.366 -7.225 -8.616 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.218 -5.075 -6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.744 -5.363 -7.383 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.083 -5.020 -8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.283 -3.757 -8.573 1.00 0.00 H new ATOM 0 HE ARG A 60 5.296 -6.227 -9.853 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.941 -3.002 -10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.499 -2.937 -12.088 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.027 -6.110 -12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.672 -4.684 -12.983 1.00 0.00 H new ATOM 942 N ALA A 61 1.167 -5.910 -6.236 1.00 0.00 N ATOM 943 CA ALA A 61 -0.135 -5.172 -6.272 1.00 0.00 C ATOM 944 C ALA A 61 0.078 -3.765 -5.745 1.00 0.00 C ATOM 945 O ALA A 61 1.153 -3.490 -5.194 1.00 0.00 O ATOM 946 CB ALA A 61 -1.145 -5.869 -5.354 1.00 0.00 C ATOM 0 H ALA A 61 1.601 -5.909 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.506 -5.150 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.093 -5.331 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.299 -6.893 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.762 -5.879 -4.333 1.00 0.00 H new ATOM 952 N ILE A 62 -0.895 -2.845 -5.893 1.00 0.00 N ATOM 953 CA ILE A 62 -0.681 -1.536 -5.287 1.00 0.00 C ATOM 954 C ILE A 62 -1.870 -1.089 -4.579 1.00 0.00 C ATOM 955 O ILE A 62 -3.026 -1.440 -5.012 1.00 0.00 O ATOM 956 CB ILE A 62 -0.389 -0.340 -6.275 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.649 0.570 -6.509 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.190 -0.773 -7.578 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.338 1.738 -7.401 1.00 0.00 C ATOM 0 H ILE A 62 -1.775 -2.976 -6.392 1.00 0.00 H new ATOM 0 HA ILE A 62 0.194 -1.724 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 62 0.371 0.256 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.448 -0.023 -6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.018 0.934 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.365 0.100 -8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.134 -1.289 -7.403 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.505 -1.447 -8.079 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.236 2.341 -7.537 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.557 2.347 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.995 1.375 -8.370 1.00 0.00 H new ATOM 971 N PHE A 63 -1.593 -0.181 -3.622 1.00 0.00 N ATOM 972 CA PHE A 63 -2.583 0.655 -3.036 1.00 0.00 C ATOM 973 C PHE A 63 -2.136 2.107 -3.245 1.00 0.00 C ATOM 974 O PHE A 63 -1.084 2.536 -2.762 1.00 0.00 O ATOM 975 CB PHE A 63 -2.989 0.311 -1.565 1.00 0.00 C ATOM 976 CG PHE A 63 -1.967 0.458 -0.465 1.00 0.00 C ATOM 977 CD1 PHE A 63 -1.078 -0.560 -0.175 1.00 0.00 C ATOM 978 CD2 PHE A 63 -1.950 1.599 0.358 1.00 0.00 C ATOM 979 CE1 PHE A 63 -0.209 -0.420 0.881 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.062 1.714 1.379 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.192 0.712 1.638 1.00 0.00 C ATOM 0 H PHE A 63 -0.655 -0.029 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.529 0.474 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.843 0.937 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.337 -0.722 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.066 -1.459 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.655 2.397 0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.474 -1.224 1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.051 2.608 1.985 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.517 0.809 2.446 1.00 0.00 H new ATOM 991 N MET A 64 -2.852 2.790 -4.099 1.00 0.00 N ATOM 992 CA MET A 64 -2.566 4.185 -4.446 1.00 0.00 C ATOM 993 C MET A 64 -3.426 5.097 -3.600 1.00 0.00 C ATOM 994 O MET A 64 -4.652 5.157 -3.760 1.00 0.00 O ATOM 995 CB MET A 64 -2.800 4.405 -5.950 1.00 0.00 C ATOM 996 CG MET A 64 -2.431 5.767 -6.498 1.00 0.00 C ATOM 997 SD MET A 64 -2.314 5.733 -8.297 1.00 0.00 S ATOM 998 CE MET A 64 -1.735 7.388 -8.632 1.00 0.00 C ATOM 0 H MET A 64 -3.661 2.403 -4.586 1.00 0.00 H new ATOM 0 HA MET A 64 -1.522 4.419 -4.239 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.233 3.652 -6.497 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.854 4.226 -6.161 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.178 6.500 -6.193 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.479 6.087 -6.075 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.025 7.677 -9.642 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.177 8.080 -7.915 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.649 7.418 -8.544 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.788 5.790 -2.714 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.444 6.578 -1.710 1.00 0.00 C ATOM 1010 C LEU A 65 -3.236 8.068 -1.867 1.00 0.00 C ATOM 1011 O LEU A 65 -2.199 8.530 -2.391 1.00 0.00 O ATOM 1012 CB LEU A 65 -3.182 6.075 -0.264 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.750 5.829 0.209 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -1.030 4.710 -0.502 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.937 7.082 0.239 1.00 0.00 C ATOM 0 H LEU A 65 -1.770 5.828 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.508 6.422 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.629 6.799 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.730 5.141 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.864 5.481 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.022 4.611 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.573 3.776 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.974 4.933 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.072 6.853 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.892 7.510 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.397 7.798 0.919 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.236 8.803 -1.483 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.225 10.269 -1.632 1.00 0.00 C ATOM 1029 C ARG A 66 -4.155 11.086 -0.299 1.00 0.00 C ATOM 1030 O ARG A 66 -3.237 11.876 -0.150 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.303 10.792 -2.633 1.00 0.00 C ATOM 1032 CG ARG A 66 -5.341 12.312 -2.778 1.00 0.00 C ATOM 1033 CD ARG A 66 -6.490 12.785 -3.669 1.00 0.00 C ATOM 1034 NE ARG A 66 -6.428 12.238 -5.035 1.00 0.00 N ATOM 1035 CZ ARG A 66 -7.166 12.671 -6.076 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -8.015 13.683 -5.944 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -7.043 12.078 -7.244 1.00 0.00 N ATOM 0 H ARG A 66 -5.085 8.430 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.259 10.473 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.118 10.350 -3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.284 10.445 -2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.439 12.766 -1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.395 12.658 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.437 12.498 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.477 13.874 -3.720 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.776 11.472 -5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.118 14.148 -5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.564 13.996 -6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.394 11.299 -7.355 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.597 12.397 -8.039 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.125 10.923 0.644 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.143 11.654 1.950 1.00 0.00 C ATOM 1053 C ASP A 67 -3.772 11.743 2.728 1.00 0.00 C ATOM 1054 O ASP A 67 -3.618 12.618 3.572 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.190 11.031 2.886 1.00 0.00 C ATOM 1056 CG ASP A 67 -6.573 11.939 4.025 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -7.227 12.970 3.794 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -6.233 11.632 5.177 1.00 0.00 O ATOM 0 H ASP A 67 -5.913 10.286 0.524 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.386 12.679 1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.082 10.782 2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.800 10.096 3.289 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.778 10.863 2.443 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.540 10.857 3.205 1.00 0.00 C ATOM 1065 C GLY A 68 -1.671 10.351 4.643 1.00 0.00 C ATOM 1066 O GLY A 68 -0.675 10.091 5.278 1.00 0.00 O ATOM 0 H GLY A 68 -2.824 10.166 1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.812 10.237 2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.139 11.870 3.227 1.00 0.00 H new ATOM 1070 N SER A 69 -2.887 10.144 5.128 1.00 0.00 N ATOM 1071 CA SER A 69 -3.066 9.895 6.586 1.00 0.00 C ATOM 1072 C SER A 69 -3.644 8.496 6.912 1.00 0.00 C ATOM 1073 O SER A 69 -4.320 8.327 7.940 1.00 0.00 O ATOM 1074 CB SER A 69 -4.039 10.946 7.134 1.00 0.00 C ATOM 1075 OG SER A 69 -3.860 12.216 6.504 1.00 0.00 O ATOM 0 H SER A 69 -3.744 10.139 4.575 1.00 0.00 H new ATOM 0 HA SER A 69 -2.078 9.952 7.043 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.064 10.606 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.894 11.050 8.209 1.00 0.00 H new ATOM 0 HG SER A 69 -4.591 12.373 5.870 1.00 0.00 H new ATOM 1081 N TYR A 70 -3.335 7.483 6.121 1.00 0.00 N ATOM 1082 CA TYR A 70 -4.014 6.195 6.304 1.00 0.00 C ATOM 1083 C TYR A 70 -3.317 5.084 5.545 1.00 0.00 C ATOM 1084 O TYR A 70 -3.825 3.981 5.467 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.491 6.316 5.796 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.669 6.555 4.276 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -4.851 7.432 3.572 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.662 5.898 3.565 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.000 7.639 2.234 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -6.820 6.102 2.197 1.00 0.00 C ATOM 1091 CZ TYR A 70 -5.971 6.980 1.546 1.00 0.00 C ATOM 1092 OH TYR A 70 -6.092 7.210 0.199 1.00 0.00 O ATOM 0 H TYR A 70 -2.646 7.514 5.370 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.992 5.947 7.365 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.023 5.403 6.065 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.972 7.135 6.331 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.075 7.965 4.102 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.323 5.217 4.081 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.346 8.327 1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.594 5.583 1.652 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.039 7.306 -0.033 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.126 5.345 5.082 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.502 4.482 4.103 1.00 0.00 C ATOM 1104 C ALA A 71 -0.509 3.440 4.712 1.00 0.00 C ATOM 1105 O ALA A 71 -0.460 2.279 4.301 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.796 5.343 3.085 1.00 0.00 C ATOM 0 H ALA A 71 -1.563 6.148 5.364 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.294 3.892 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.320 4.707 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.519 5.996 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.038 5.948 3.583 1.00 0.00 H new ATOM 1112 N TRP A 72 0.232 3.828 5.713 1.00 0.00 N ATOM 1113 CA TRP A 72 1.267 2.956 6.264 1.00 0.00 C ATOM 1114 C TRP A 72 0.649 1.867 7.118 1.00 0.00 C ATOM 1115 O TRP A 72 1.142 0.695 7.186 1.00 0.00 O ATOM 1116 CB TRP A 72 2.412 3.772 6.933 1.00 0.00 C ATOM 1117 CG TRP A 72 3.352 4.346 5.881 1.00 0.00 C ATOM 1118 CD1 TRP A 72 4.604 3.898 5.587 1.00 0.00 C ATOM 1119 CD2 TRP A 72 3.086 5.419 4.948 1.00 0.00 C ATOM 1120 NE1 TRP A 72 5.139 4.606 4.531 1.00 0.00 N ATOM 1121 CE2 TRP A 72 4.217 5.538 4.103 1.00 0.00 C ATOM 1122 CE3 TRP A 72 2.013 6.284 4.736 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 4.258 6.488 3.050 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 2.085 7.193 3.724 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.195 7.267 2.896 1.00 0.00 C ATOM 0 H TRP A 72 0.150 4.735 6.171 1.00 0.00 H new ATOM 0 HA TRP A 72 1.768 2.427 5.453 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.988 4.580 7.529 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.970 3.132 7.616 1.00 0.00 H new ATOM 0 HD1 TRP A 72 5.109 3.098 6.109 1.00 0.00 H new ATOM 0 HE1 TRP A 72 6.067 4.463 4.131 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.137 6.234 5.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.118 6.573 2.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.260 7.871 3.563 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.194 7.989 2.092 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.496 2.204 7.659 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.303 1.262 8.354 1.00 0.00 C ATOM 1138 C GLU A 73 -1.745 0.190 7.345 1.00 0.00 C ATOM 1139 O GLU A 73 -1.764 -1.025 7.664 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.523 1.941 9.041 1.00 0.00 C ATOM 1141 CG GLU A 73 -2.181 2.926 10.174 1.00 0.00 C ATOM 1142 CD GLU A 73 -1.356 4.123 9.739 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -1.889 5.012 9.042 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -0.153 4.193 10.073 1.00 0.00 O ATOM 0 H GLU A 73 -0.886 3.146 7.623 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.727 0.803 9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.096 2.473 8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.171 1.163 9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.109 3.283 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.638 2.390 10.953 1.00 0.00 H new ATOM 1151 N ILE A 74 -1.986 0.633 6.080 1.00 0.00 N ATOM 1152 CA ILE A 74 -2.373 -0.268 5.042 1.00 0.00 C ATOM 1153 C ILE A 74 -1.221 -1.205 4.704 1.00 0.00 C ATOM 1154 O ILE A 74 -1.436 -2.424 4.593 1.00 0.00 O ATOM 1155 CB ILE A 74 -2.828 0.390 3.699 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.079 1.245 3.815 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.088 -0.736 2.729 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.154 2.354 2.790 1.00 0.00 C ATOM 0 H ILE A 74 -1.910 1.608 5.790 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.239 -0.782 5.459 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.039 1.067 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.956 0.606 3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.119 1.681 4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.410 -0.325 1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.174 -1.313 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.869 -1.385 3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.073 2.921 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.296 3.016 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.146 1.925 1.788 1.00 0.00 H new ATOM 1170 N LYS A 75 0.031 -0.640 4.566 1.00 0.00 N ATOM 1171 CA LYS A 75 1.159 -1.458 4.114 1.00 0.00 C ATOM 1172 C LYS A 75 1.339 -2.619 5.049 1.00 0.00 C ATOM 1173 O LYS A 75 1.472 -3.821 4.620 1.00 0.00 O ATOM 1174 CB LYS A 75 2.494 -0.620 3.851 1.00 0.00 C ATOM 1175 CG LYS A 75 3.133 0.156 5.009 1.00 0.00 C ATOM 1176 CD LYS A 75 3.920 -0.717 5.976 1.00 0.00 C ATOM 1177 CE LYS A 75 4.555 0.128 7.066 1.00 0.00 C ATOM 1178 NZ LYS A 75 5.337 -0.679 8.014 1.00 0.00 N ATOM 0 H LYS A 75 0.253 0.337 4.758 1.00 0.00 H new ATOM 0 HA LYS A 75 0.921 -1.856 3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.244 -1.311 3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.281 0.094 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.797 0.918 4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.350 0.677 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.260 -1.460 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.693 -1.262 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.202 0.878 6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.776 0.665 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.751 -0.059 8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.716 -1.378 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.098 -1.172 7.505 1.00 0.00 H new ATOM 1192 N ASP A 76 1.199 -2.279 6.326 1.00 0.00 N ATOM 1193 CA ASP A 76 1.287 -3.245 7.372 1.00 0.00 C ATOM 1194 C ASP A 76 0.206 -4.311 7.245 1.00 0.00 C ATOM 1195 O ASP A 76 0.545 -5.504 7.252 1.00 0.00 O ATOM 1196 CB ASP A 76 1.243 -2.572 8.736 1.00 0.00 C ATOM 1197 CG ASP A 76 1.179 -3.545 9.890 1.00 0.00 C ATOM 1198 OD1 ASP A 76 2.234 -4.065 10.322 1.00 0.00 O ATOM 1199 OD2 ASP A 76 0.080 -3.772 10.422 1.00 0.00 O ATOM 0 H ASP A 76 1.023 -1.327 6.646 1.00 0.00 H new ATOM 0 HA ASP A 76 2.249 -3.749 7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.126 -1.944 8.850 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.376 -1.913 8.779 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.086 -3.913 7.075 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.134 -4.945 6.996 1.00 0.00 C ATOM 1206 C PHE A 77 -1.901 -5.845 5.794 1.00 0.00 C ATOM 1207 O PHE A 77 -1.887 -7.033 5.938 1.00 0.00 O ATOM 1208 CB PHE A 77 -3.598 -4.440 6.920 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.032 -3.385 7.885 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -3.856 -3.545 9.245 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -4.642 -2.226 7.416 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -4.275 -2.569 10.126 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -5.064 -1.250 8.295 1.00 0.00 C ATOM 1214 CZ PHE A 77 -4.880 -1.421 9.651 1.00 0.00 C ATOM 0 H PHE A 77 -1.404 -2.947 6.995 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.038 -5.470 7.947 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.767 -4.060 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.254 -5.301 7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.387 -4.441 9.622 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.786 -2.089 6.354 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.130 -2.703 11.188 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.537 -0.354 7.922 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.209 -0.658 10.341 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.656 -5.263 4.619 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.514 -6.067 3.392 1.00 0.00 C ATOM 1226 C LEU A 78 -0.467 -7.128 3.492 1.00 0.00 C ATOM 1227 O LEU A 78 -0.758 -8.377 3.308 1.00 0.00 O ATOM 1228 CB LEU A 78 -1.316 -5.231 2.120 1.00 0.00 C ATOM 1229 CG LEU A 78 -2.534 -4.448 1.649 1.00 0.00 C ATOM 1230 CD1 LEU A 78 -2.472 -4.267 0.119 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -3.801 -5.189 2.071 1.00 0.00 C ATOM 0 H LEU A 78 -1.552 -4.257 4.485 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.478 -6.567 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.500 -4.529 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.001 -5.896 1.316 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.546 -3.458 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.344 -3.706 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.566 -3.722 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.461 -5.245 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.676 -4.633 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.808 -6.182 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.824 -5.282 3.157 1.00 0.00 H new ATOM 1243 N VAL A 79 0.728 -6.737 3.841 1.00 0.00 N ATOM 1244 CA VAL A 79 1.712 -7.749 3.917 1.00 0.00 C ATOM 1245 C VAL A 79 1.523 -8.661 5.128 1.00 0.00 C ATOM 1246 O VAL A 79 1.957 -9.799 5.126 1.00 0.00 O ATOM 1247 CB VAL A 79 3.149 -7.287 3.646 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.249 -6.822 2.198 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.583 -6.190 4.594 1.00 0.00 C ATOM 0 H VAL A 79 1.021 -5.785 4.062 1.00 0.00 H new ATOM 0 HA VAL A 79 1.532 -8.393 3.056 1.00 0.00 H new ATOM 0 HB VAL A 79 3.823 -8.127 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.267 -6.490 1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.994 -7.647 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.558 -5.996 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.607 -5.895 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.923 -5.330 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.532 -6.554 5.620 1.00 0.00 H new ATOM 1259 N SER A 80 0.776 -8.204 6.120 1.00 0.00 N ATOM 1260 CA SER A 80 0.405 -9.078 7.201 1.00 0.00 C ATOM 1261 C SER A 80 -0.876 -9.864 6.835 1.00 0.00 C ATOM 1262 O SER A 80 -1.304 -10.737 7.592 1.00 0.00 O ATOM 1263 CB SER A 80 0.186 -8.296 8.497 1.00 0.00 C ATOM 1264 OG SER A 80 1.339 -7.520 8.831 1.00 0.00 O ATOM 0 H SER A 80 0.424 -7.249 6.192 1.00 0.00 H new ATOM 0 HA SER A 80 1.224 -9.779 7.362 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.678 -7.641 8.388 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.038 -8.988 9.309 1.00 0.00 H new ATOM 0 HG SER A 80 1.356 -6.707 8.284 1.00 0.00 H new ATOM 1270 N GLN A 81 -1.488 -9.572 5.661 1.00 0.00 N ATOM 1271 CA GLN A 81 -2.698 -10.259 5.298 1.00 0.00 C ATOM 1272 C GLN A 81 -2.358 -11.452 4.542 1.00 0.00 C ATOM 1273 O GLN A 81 -3.028 -12.486 4.659 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.684 -9.391 4.495 1.00 0.00 C ATOM 1275 CG GLN A 81 -4.543 -8.449 5.328 1.00 0.00 C ATOM 1276 CD GLN A 81 -5.392 -9.196 6.339 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.503 -9.624 6.039 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -4.912 -9.326 7.545 1.00 0.00 N ATOM 0 H GLN A 81 -1.157 -8.884 4.985 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.209 -10.518 6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.119 -8.800 3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.341 -10.048 3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.901 -7.738 5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.190 -7.870 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.986 -8.961 7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.463 -9.793 8.266 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.285 -11.369 3.798 1.00 0.00 N ATOM 1288 CA ASP A 82 -0.942 -12.536 3.008 1.00 0.00 C ATOM 1289 C ASP A 82 0.562 -12.751 2.806 1.00 0.00 C ATOM 1290 O ASP A 82 1.197 -13.312 3.697 1.00 0.00 O ATOM 1291 CB ASP A 82 -1.899 -12.768 1.770 1.00 0.00 C ATOM 1292 CG ASP A 82 -1.635 -14.040 0.991 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -2.177 -15.108 1.377 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -0.922 -14.007 -0.015 1.00 0.00 O ATOM 0 H ASP A 82 -0.664 -10.563 3.718 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.176 -13.402 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.930 -12.783 2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.806 -11.919 1.093 1.00 0.00 H new ATOM 1299 N ARG A 83 1.180 -12.297 1.729 1.00 0.00 N ATOM 1300 CA ARG A 83 2.608 -12.534 1.607 1.00 0.00 C ATOM 1301 C ARG A 83 3.349 -11.252 1.877 1.00 0.00 C ATOM 1302 O ARG A 83 3.069 -10.225 1.258 1.00 0.00 O ATOM 1303 CB ARG A 83 2.975 -13.074 0.232 1.00 0.00 C ATOM 1304 CG ARG A 83 2.078 -14.183 -0.258 1.00 0.00 C ATOM 1305 CD ARG A 83 1.998 -15.350 0.701 1.00 0.00 C ATOM 1306 NE ARG A 83 0.924 -16.243 0.304 1.00 0.00 N ATOM 1307 CZ ARG A 83 0.908 -17.566 0.466 1.00 0.00 C ATOM 1308 NH1 ARG A 83 1.912 -18.187 1.084 1.00 0.00 N ATOM 1309 NH2 ARG A 83 -0.125 -18.267 0.019 1.00 0.00 N ATOM 0 H ARG A 83 0.743 -11.787 0.961 1.00 0.00 H new ATOM 0 HA ARG A 83 2.894 -13.289 2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.947 -12.255 -0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.002 -13.438 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.076 -13.786 -0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.442 -14.537 -1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.945 -15.889 0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.826 -14.988 1.715 1.00 0.00 H new ATOM 0 HE ARG A 83 0.108 -15.820 -0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.703 -17.650 1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.889 -19.200 1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.900 -17.794 -0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.144 -19.280 0.139 1.00 0.00 H new ATOM 1323 N CYS A 84 4.280 -11.299 2.780 1.00 0.00 N ATOM 1324 CA CYS A 84 4.982 -10.123 3.169 1.00 0.00 C ATOM 1325 C CYS A 84 6.427 -10.134 2.738 1.00 0.00 C ATOM 1326 O CYS A 84 7.282 -10.770 3.373 1.00 0.00 O ATOM 1327 CB CYS A 84 4.862 -9.898 4.668 1.00 0.00 C ATOM 1328 SG CYS A 84 5.402 -11.268 5.717 1.00 0.00 S ATOM 0 H CYS A 84 4.570 -12.149 3.263 1.00 0.00 H new ATOM 0 HA CYS A 84 4.512 -9.288 2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.443 -9.014 4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.820 -9.676 4.900 1.00 0.00 H new ATOM 0 HG CYS A 84 6.492 -11.783 5.231 1.00 0.00 H new ATOM 1334 N ALA A 85 6.714 -9.505 1.635 1.00 0.00 N ATOM 1335 CA ALA A 85 8.068 -9.360 1.253 1.00 0.00 C ATOM 1336 C ALA A 85 8.503 -7.925 1.085 1.00 0.00 C ATOM 1337 O ALA A 85 9.582 -7.568 1.549 1.00 0.00 O ATOM 1338 CB ALA A 85 8.390 -10.197 0.063 1.00 0.00 C ATOM 0 H ALA A 85 6.031 -9.093 0.999 1.00 0.00 H new ATOM 0 HA ALA A 85 8.659 -9.734 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.438 -10.062 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.207 -11.246 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.761 -9.896 -0.775 1.00 0.00 H new ATOM 1344 N GLU A 86 7.688 -7.074 0.470 1.00 0.00 N ATOM 1345 CA GLU A 86 8.170 -5.738 0.214 1.00 0.00 C ATOM 1346 C GLU A 86 7.054 -4.720 0.122 1.00 0.00 C ATOM 1347 O GLU A 86 6.122 -4.878 -0.646 1.00 0.00 O ATOM 1348 CB GLU A 86 9.015 -5.758 -1.063 1.00 0.00 C ATOM 1349 CG GLU A 86 9.547 -4.428 -1.540 1.00 0.00 C ATOM 1350 CD GLU A 86 10.433 -4.598 -2.744 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.647 -4.781 -2.579 1.00 0.00 O ATOM 1352 OE2 GLU A 86 9.926 -4.579 -3.882 1.00 0.00 O ATOM 0 H GLU A 86 6.739 -7.277 0.156 1.00 0.00 H new ATOM 0 HA GLU A 86 8.782 -5.424 1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.861 -6.426 -0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.415 -6.192 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.715 -3.768 -1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.107 -3.948 -0.737 1.00 0.00 H new ATOM 1359 N VAL A 87 7.152 -3.694 0.915 1.00 0.00 N ATOM 1360 CA VAL A 87 6.253 -2.583 0.833 1.00 0.00 C ATOM 1361 C VAL A 87 7.012 -1.363 0.361 1.00 0.00 C ATOM 1362 O VAL A 87 7.637 -0.653 1.146 1.00 0.00 O ATOM 1363 CB VAL A 87 5.495 -2.264 2.174 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.343 -3.211 2.403 1.00 0.00 C ATOM 1365 CG2 VAL A 87 6.426 -2.291 3.385 1.00 0.00 C ATOM 0 H VAL A 87 7.863 -3.605 1.641 1.00 0.00 H new ATOM 0 HA VAL A 87 5.478 -2.862 0.119 1.00 0.00 H new ATOM 0 HB VAL A 87 5.104 -1.252 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.845 -2.958 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.633 -3.127 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.717 -4.233 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.857 -2.065 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.874 -3.280 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.212 -1.547 3.256 1.00 0.00 H new ATOM 1375 N THR A 88 7.011 -1.123 -0.915 1.00 0.00 N ATOM 1376 CA THR A 88 7.675 0.033 -1.382 1.00 0.00 C ATOM 1377 C THR A 88 6.736 1.092 -1.775 1.00 0.00 C ATOM 1378 O THR A 88 6.099 1.064 -2.835 1.00 0.00 O ATOM 1379 CB THR A 88 8.723 -0.216 -2.440 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.254 -1.181 -3.404 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.006 -0.678 -1.790 1.00 0.00 C ATOM 0 H THR A 88 6.567 -1.702 -1.628 1.00 0.00 H new ATOM 0 HA THR A 88 8.237 0.388 -0.518 1.00 0.00 H new ATOM 0 HB THR A 88 8.918 0.715 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.275 -1.225 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.759 -0.856 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.363 0.089 -1.103 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.823 -1.601 -1.240 1.00 0.00 H new ATOM 1389 N LEU A 89 6.592 1.974 -0.888 1.00 0.00 N ATOM 1390 CA LEU A 89 5.819 3.110 -1.057 1.00 0.00 C ATOM 1391 C LEU A 89 6.655 4.087 -1.899 1.00 0.00 C ATOM 1392 O LEU A 89 7.884 3.970 -1.949 1.00 0.00 O ATOM 1393 CB LEU A 89 5.307 3.599 0.334 1.00 0.00 C ATOM 1394 CG LEU A 89 4.368 2.569 1.087 1.00 0.00 C ATOM 1395 CD1 LEU A 89 5.116 1.483 1.841 1.00 0.00 C ATOM 1396 CD2 LEU A 89 3.238 3.169 1.929 1.00 0.00 C ATOM 0 H LEU A 89 7.037 1.918 0.028 1.00 0.00 H new ATOM 0 HA LEU A 89 4.894 2.957 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.167 3.818 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.764 4.535 0.199 1.00 0.00 H new ATOM 0 HG LEU A 89 3.859 2.090 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.401 0.820 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.726 0.909 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.759 1.939 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.665 2.367 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.661 3.809 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.582 3.759 1.289 1.00 0.00 H new