USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 549 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 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= -0.167 USER MOD Single : A 18 THR OG1 : rot -124:sc= -0.163 USER MOD Single : A 23 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.2!) USER MOD Single : A 25 SER OG : rot 176:sc= 1.04 USER MOD Single : A 27 ASN : amide:sc= -2! C(o=-2!,f=-6.1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0544 USER MOD Single : A 34 LYS NZ :NH3+ 151:sc= 0.886 (180deg=0.119) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -113:sc= -1.01! USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= 0.925 (180deg=-0.566!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 95:sc= -1.3! USER MOD Single : A 68 LYS NZ :NH3+ 152:sc= 0.011 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -6.34! C(o=-6.3!,f=-5.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -6.14! C(o=-6.1!,f=-5.3!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.132 USER MOD Single : A 84 SER OG : rot -169:sc= -1.99! USER MOD Single : A 87 TYR OH : rot -50:sc= -2.84! USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.642 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 79.057 8.405 4.204 1.00 0.00 N ATOM 229 CA ALA A 15 78.111 8.029 3.120 1.00 0.00 C ATOM 230 C ALA A 15 78.882 7.581 1.874 1.00 0.00 C ATOM 231 O ALA A 15 78.306 7.098 0.919 1.00 0.00 O ATOM 232 CB ALA A 15 77.317 9.303 2.830 1.00 0.00 C ATOM 0 HA ALA A 15 77.464 7.200 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.594 9.109 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.792 9.617 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.999 10.092 2.513 1.00 0.00 H new ATOM 238 N ALA A 16 80.178 7.740 1.874 1.00 0.00 N ATOM 239 CA ALA A 16 80.977 7.324 0.684 1.00 0.00 C ATOM 240 C ALA A 16 81.243 5.820 0.719 1.00 0.00 C ATOM 241 O ALA A 16 81.230 5.155 -0.297 1.00 0.00 O ATOM 242 CB ALA A 16 82.286 8.106 0.791 1.00 0.00 C ATOM 0 H ALA A 16 80.717 8.138 2.643 1.00 0.00 H new ATOM 0 HA ALA A 16 80.457 7.528 -0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.930 7.854 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.073 9.175 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.789 7.847 1.723 1.00 0.00 H new ATOM 248 N ARG A 17 81.478 5.278 1.877 1.00 0.00 N ATOM 249 CA ARG A 17 81.738 3.815 1.972 1.00 0.00 C ATOM 250 C ARG A 17 80.426 3.075 2.236 1.00 0.00 C ATOM 251 O ARG A 17 80.412 1.997 2.794 1.00 0.00 O ATOM 252 CB ARG A 17 82.694 3.654 3.153 1.00 0.00 C ATOM 253 CG ARG A 17 81.968 4.015 4.450 1.00 0.00 C ATOM 254 CD ARG A 17 82.618 5.251 5.071 1.00 0.00 C ATOM 255 NE ARG A 17 84.041 4.868 5.290 1.00 0.00 N ATOM 256 CZ ARG A 17 84.674 5.288 6.351 1.00 0.00 C ATOM 257 NH1 ARG A 17 84.631 6.549 6.681 1.00 0.00 N ATOM 258 NH2 ARG A 17 85.351 4.445 7.082 1.00 0.00 N ATOM 0 H ARG A 17 81.502 5.783 2.763 1.00 0.00 H new ATOM 0 HA ARG A 17 82.161 3.406 1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 17 83.059 2.628 3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.565 4.296 3.020 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.914 4.208 4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.011 3.179 5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 17 82.539 6.114 4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.133 5.523 6.009 1.00 0.00 H new ATOM 0 HE ARG A 17 84.521 4.277 4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 17 84.102 7.208 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 17 85.126 6.876 7.511 1.00 0.00 H new ATOM 0 HH21 ARG A 17 85.385 3.459 6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 17 85.846 4.772 7.912 1.00 0.00 H new ATOM 272 N THR A 18 79.321 3.650 1.842 1.00 0.00 N ATOM 273 CA THR A 18 78.010 2.978 2.078 1.00 0.00 C ATOM 274 C THR A 18 77.045 3.264 0.922 1.00 0.00 C ATOM 275 O THR A 18 77.117 4.292 0.279 1.00 0.00 O ATOM 276 CB THR A 18 77.485 3.586 3.379 1.00 0.00 C ATOM 277 OG1 THR A 18 78.206 3.046 4.477 1.00 0.00 O ATOM 278 CG2 THR A 18 75.998 3.263 3.534 1.00 0.00 C ATOM 0 H THR A 18 79.269 4.552 1.369 1.00 0.00 H new ATOM 0 HA THR A 18 78.109 1.894 2.142 1.00 0.00 H new ATOM 0 HB THR A 18 77.617 4.668 3.353 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.579 2.641 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.626 3.697 4.462 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.446 3.679 2.692 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.861 2.182 3.559 1.00 0.00 H new ATOM 286 N LEU A 19 76.139 2.361 0.662 1.00 0.00 N ATOM 287 CA LEU A 19 75.163 2.576 -0.446 1.00 0.00 C ATOM 288 C LEU A 19 73.816 1.941 -0.094 1.00 0.00 C ATOM 289 O LEU A 19 73.737 1.034 0.710 1.00 0.00 O ATOM 290 CB LEU A 19 75.771 1.895 -1.677 1.00 0.00 C ATOM 291 CG LEU A 19 76.275 0.495 -1.318 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.203 -0.537 -1.665 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.543 0.196 -2.119 1.00 0.00 C ATOM 0 H LEU A 19 76.032 1.483 1.169 1.00 0.00 H new ATOM 0 HA LEU A 19 74.983 3.636 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.025 1.828 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.594 2.496 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 19 76.493 0.448 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.562 -1.534 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.295 -0.322 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 19 74.986 -0.492 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.906 -0.800 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.319 0.242 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.309 0.933 -1.877 1.00 0.00 H new ATOM 305 N LEU A 20 72.758 2.414 -0.689 1.00 0.00 N ATOM 306 CA LEU A 20 71.412 1.842 -0.388 1.00 0.00 C ATOM 307 C LEU A 20 71.046 0.761 -1.409 1.00 0.00 C ATOM 308 O LEU A 20 70.984 1.012 -2.595 1.00 0.00 O ATOM 309 CB LEU A 20 70.444 3.022 -0.496 1.00 0.00 C ATOM 310 CG LEU A 20 69.104 2.640 0.136 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.081 3.093 1.596 1.00 0.00 C ATOM 312 CD2 LEU A 20 67.969 3.325 -0.627 1.00 0.00 C ATOM 0 H LEU A 20 72.764 3.172 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 20 71.381 1.372 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.860 3.895 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.301 3.295 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 20 68.975 1.559 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.126 2.821 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.891 2.607 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.209 4.174 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.013 3.054 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.099 4.406 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 20 67.985 3.004 -1.668 1.00 0.00 H new ATOM 324 N ALA A 21 70.793 -0.440 -0.961 1.00 0.00 N ATOM 325 CA ALA A 21 70.423 -1.524 -1.915 1.00 0.00 C ATOM 326 C ALA A 21 68.972 -1.343 -2.366 1.00 0.00 C ATOM 327 O ALA A 21 68.124 -0.929 -1.601 1.00 0.00 O ATOM 328 CB ALA A 21 70.581 -2.822 -1.122 1.00 0.00 C ATOM 0 H ALA A 21 70.826 -0.716 0.020 1.00 0.00 H new ATOM 0 HA ALA A 21 71.043 -1.521 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.326 -3.670 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.613 -2.919 -0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 21 69.917 -2.804 -0.258 1.00 0.00 H new ATOM 334 N LYS A 22 68.676 -1.644 -3.600 1.00 0.00 N ATOM 335 CA LYS A 22 67.277 -1.479 -4.082 1.00 0.00 C ATOM 336 C LYS A 22 66.873 -2.654 -4.970 1.00 0.00 C ATOM 337 O LYS A 22 67.676 -3.502 -5.304 1.00 0.00 O ATOM 338 CB LYS A 22 67.281 -0.181 -4.889 1.00 0.00 C ATOM 339 CG LYS A 22 65.848 0.174 -5.291 1.00 0.00 C ATOM 340 CD LYS A 22 65.768 1.661 -5.639 1.00 0.00 C ATOM 341 CE LYS A 22 64.377 2.193 -5.294 1.00 0.00 C ATOM 342 NZ LYS A 22 63.737 2.481 -6.608 1.00 0.00 N ATOM 0 H LYS A 22 69.338 -1.995 -4.292 1.00 0.00 H new ATOM 0 HA LYS A 22 66.565 -1.446 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.715 0.626 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.902 -0.295 -5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.540 -0.427 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.163 -0.057 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 22 66.528 2.215 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 22 65.972 1.808 -6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 22 63.803 1.459 -4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.439 3.091 -4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.777 2.850 -6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.301 3.188 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.685 1.606 -7.168 1.00 0.00 H new ATOM 356 N ASN A 23 65.631 -2.706 -5.358 1.00 0.00 N ATOM 357 CA ASN A 23 65.163 -3.820 -6.232 1.00 0.00 C ATOM 358 C ASN A 23 65.229 -5.151 -5.479 1.00 0.00 C ATOM 359 O ASN A 23 65.083 -6.209 -6.056 1.00 0.00 O ATOM 360 CB ASN A 23 66.124 -3.826 -7.421 1.00 0.00 C ATOM 361 CG ASN A 23 65.492 -4.589 -8.587 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.285 -4.632 -8.716 1.00 0.00 O ATOM 363 ND2 ASN A 23 66.262 -5.197 -9.446 1.00 0.00 N ATOM 0 H ASN A 23 64.916 -2.023 -5.108 1.00 0.00 H new ATOM 0 HA ASN A 23 64.128 -3.687 -6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.352 -2.804 -7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.067 -4.292 -7.137 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.851 -5.709 -10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.276 -5.161 -9.337 1.00 0.00 H new ATOM 370 N LEU A 24 65.442 -5.103 -4.195 1.00 0.00 N ATOM 371 CA LEU A 24 65.510 -6.365 -3.405 1.00 0.00 C ATOM 372 C LEU A 24 64.143 -7.055 -3.418 1.00 0.00 C ATOM 373 O LEU A 24 63.114 -6.410 -3.401 1.00 0.00 O ATOM 374 CB LEU A 24 65.895 -5.922 -1.989 1.00 0.00 C ATOM 375 CG LEU A 24 65.492 -6.990 -0.971 1.00 0.00 C ATOM 376 CD1 LEU A 24 66.464 -6.954 0.208 1.00 0.00 C ATOM 377 CD2 LEU A 24 64.076 -6.708 -0.466 1.00 0.00 C ATOM 0 H LEU A 24 65.572 -4.246 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 24 66.227 -7.080 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 24 66.969 -5.746 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.405 -4.978 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 24 65.521 -7.972 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 24 66.181 -7.714 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.475 -7.152 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 24 66.430 -5.971 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 24 63.790 -7.470 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 24 64.047 -5.727 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 24 63.380 -6.726 -1.305 1.00 0.00 H new ATOM 389 N SER A 25 64.123 -8.358 -3.452 1.00 0.00 N ATOM 390 CA SER A 25 62.823 -9.080 -3.471 1.00 0.00 C ATOM 391 C SER A 25 62.429 -9.494 -2.053 1.00 0.00 C ATOM 392 O SER A 25 63.083 -9.148 -1.089 1.00 0.00 O ATOM 393 CB SER A 25 63.067 -10.313 -4.340 1.00 0.00 C ATOM 394 OG SER A 25 61.897 -10.593 -5.097 1.00 0.00 O ATOM 0 H SER A 25 64.951 -8.953 -3.467 1.00 0.00 H new ATOM 0 HA SER A 25 62.013 -8.462 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.913 -10.141 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.323 -11.168 -3.714 1.00 0.00 H new ATOM 0 HG SER A 25 62.074 -11.338 -5.709 1.00 0.00 H new ATOM 400 N PHE A 26 61.363 -10.230 -1.920 1.00 0.00 N ATOM 401 CA PHE A 26 60.919 -10.667 -0.576 1.00 0.00 C ATOM 402 C PHE A 26 61.671 -11.932 -0.158 1.00 0.00 C ATOM 403 O PHE A 26 61.596 -12.370 0.972 1.00 0.00 O ATOM 404 CB PHE A 26 59.436 -10.955 -0.759 1.00 0.00 C ATOM 405 CG PHE A 26 58.649 -9.682 -0.573 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.870 -8.593 -1.425 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.695 -9.589 0.447 1.00 0.00 C ATOM 408 CE1 PHE A 26 58.137 -7.411 -1.258 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.963 -8.408 0.615 1.00 0.00 C ATOM 410 CZ PHE A 26 57.184 -7.320 -0.238 1.00 0.00 C ATOM 0 H PHE A 26 60.778 -10.548 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 26 61.108 -9.925 0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.254 -11.365 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.109 -11.706 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.606 -8.664 -2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.524 -10.429 1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.307 -6.571 -1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.228 -8.336 1.403 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.618 -6.409 -0.108 1.00 0.00 H new ATOM 420 N ASN A 27 62.398 -12.521 -1.067 1.00 0.00 N ATOM 421 CA ASN A 27 63.157 -13.754 -0.735 1.00 0.00 C ATOM 422 C ASN A 27 64.567 -13.389 -0.272 1.00 0.00 C ATOM 423 O ASN A 27 65.085 -13.948 0.674 1.00 0.00 O ATOM 424 CB ASN A 27 63.207 -14.553 -2.039 1.00 0.00 C ATOM 425 CG ASN A 27 64.283 -15.635 -1.935 1.00 0.00 C ATOM 426 OD1 ASN A 27 65.440 -15.339 -1.709 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.950 -16.887 -2.092 1.00 0.00 N ATOM 0 H ASN A 27 62.498 -12.198 -2.029 1.00 0.00 H new ATOM 0 HA ASN A 27 62.694 -14.324 0.071 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.236 -15.008 -2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.424 -13.889 -2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 27 64.660 -17.616 -2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 27 62.979 -17.137 -2.282 1.00 0.00 H new ATOM 434 N ILE A 28 65.192 -12.452 -0.932 1.00 0.00 N ATOM 435 CA ILE A 28 66.567 -12.051 -0.527 1.00 0.00 C ATOM 436 C ILE A 28 66.613 -11.827 0.991 1.00 0.00 C ATOM 437 O ILE A 28 65.607 -11.901 1.669 1.00 0.00 O ATOM 438 CB ILE A 28 66.845 -10.756 -1.318 1.00 0.00 C ATOM 439 CG1 ILE A 28 67.877 -11.052 -2.406 1.00 0.00 C ATOM 440 CG2 ILE A 28 67.386 -9.651 -0.403 1.00 0.00 C ATOM 441 CD1 ILE A 28 67.899 -9.903 -3.414 1.00 0.00 C ATOM 0 H ILE A 28 64.810 -11.948 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 28 67.321 -12.808 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 28 65.909 -10.411 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.864 -11.179 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 28 67.632 -11.987 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 28 67.572 -8.751 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 28 66.654 -9.432 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 28 68.317 -9.983 0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 28 68.635 -10.114 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 28 66.913 -9.798 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.164 -8.977 -2.904 1.00 0.00 H new ATOM 453 N THR A 29 67.772 -11.558 1.525 1.00 0.00 N ATOM 454 CA THR A 29 67.876 -11.334 2.997 1.00 0.00 C ATOM 455 C THR A 29 69.261 -10.795 3.361 1.00 0.00 C ATOM 456 O THR A 29 70.098 -10.572 2.506 1.00 0.00 O ATOM 457 CB THR A 29 67.663 -12.713 3.622 1.00 0.00 C ATOM 458 OG1 THR A 29 68.072 -13.715 2.702 1.00 0.00 O ATOM 459 CG2 THR A 29 66.184 -12.901 3.963 1.00 0.00 C ATOM 0 H THR A 29 68.649 -11.483 1.010 1.00 0.00 H new ATOM 0 HA THR A 29 67.149 -10.603 3.352 1.00 0.00 H new ATOM 0 HB THR A 29 68.254 -12.794 4.534 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.938 -14.600 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 29 66.035 -13.885 4.408 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.873 -12.132 4.670 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.588 -12.820 3.054 1.00 0.00 H new ATOM 467 N GLU A 30 69.511 -10.590 4.625 1.00 0.00 N ATOM 468 CA GLU A 30 70.843 -10.073 5.048 1.00 0.00 C ATOM 469 C GLU A 30 71.946 -10.980 4.505 1.00 0.00 C ATOM 470 O GLU A 30 72.986 -10.524 4.073 1.00 0.00 O ATOM 471 CB GLU A 30 70.816 -10.110 6.576 1.00 0.00 C ATOM 472 CG GLU A 30 71.636 -8.943 7.131 1.00 0.00 C ATOM 473 CD GLU A 30 72.749 -9.484 8.029 1.00 0.00 C ATOM 474 OE1 GLU A 30 73.221 -10.578 7.762 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.113 -8.796 8.968 1.00 0.00 O ATOM 0 H GLU A 30 68.850 -10.758 5.383 1.00 0.00 H new ATOM 0 HA GLU A 30 71.040 -9.069 4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.788 -10.048 6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.222 -11.056 6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.064 -8.363 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 30 70.993 -8.269 7.697 1.00 0.00 H new ATOM 482 N ASP A 31 71.719 -12.263 4.517 1.00 0.00 N ATOM 483 CA ASP A 31 72.749 -13.204 3.994 1.00 0.00 C ATOM 484 C ASP A 31 72.994 -12.926 2.511 1.00 0.00 C ATOM 485 O ASP A 31 74.115 -12.925 2.044 1.00 0.00 O ATOM 486 CB ASP A 31 72.153 -14.598 4.192 1.00 0.00 C ATOM 487 CG ASP A 31 73.048 -15.408 5.131 1.00 0.00 C ATOM 488 OD1 ASP A 31 73.178 -15.015 6.279 1.00 0.00 O ATOM 489 OD2 ASP A 31 73.590 -16.407 4.687 1.00 0.00 O ATOM 0 H ASP A 31 70.866 -12.701 4.866 1.00 0.00 H new ATOM 0 HA ASP A 31 73.707 -13.102 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.148 -14.520 4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.062 -15.106 3.232 1.00 0.00 H new ATOM 494 N GLU A 32 71.949 -12.681 1.771 1.00 0.00 N ATOM 495 CA GLU A 32 72.114 -12.392 0.319 1.00 0.00 C ATOM 496 C GLU A 32 72.857 -11.070 0.136 1.00 0.00 C ATOM 497 O GLU A 32 73.808 -10.972 -0.619 1.00 0.00 O ATOM 498 CB GLU A 32 70.690 -12.289 -0.228 1.00 0.00 C ATOM 499 CG GLU A 32 70.559 -13.155 -1.482 1.00 0.00 C ATOM 500 CD GLU A 32 69.850 -14.463 -1.126 1.00 0.00 C ATOM 501 OE1 GLU A 32 68.980 -14.429 -0.272 1.00 0.00 O ATOM 502 OE2 GLU A 32 70.189 -15.476 -1.715 1.00 0.00 O ATOM 0 H GLU A 32 70.987 -12.668 2.109 1.00 0.00 H new ATOM 0 HA GLU A 32 72.691 -13.159 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 32 69.975 -12.614 0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.454 -11.251 -0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.997 -12.621 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.545 -13.364 -1.897 1.00 0.00 H new ATOM 509 N LEU A 33 72.445 -10.061 0.843 1.00 0.00 N ATOM 510 CA LEU A 33 73.131 -8.749 0.735 1.00 0.00 C ATOM 511 C LEU A 33 74.489 -8.861 1.412 1.00 0.00 C ATOM 512 O LEU A 33 75.454 -8.237 1.015 1.00 0.00 O ATOM 513 CB LEU A 33 72.232 -7.760 1.477 1.00 0.00 C ATOM 514 CG LEU A 33 71.056 -7.366 0.581 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.875 -8.300 0.847 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.645 -5.924 0.888 1.00 0.00 C ATOM 0 H LEU A 33 71.660 -10.088 1.494 1.00 0.00 H new ATOM 0 HA LEU A 33 73.293 -8.430 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.865 -8.208 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.802 -6.874 1.757 1.00 0.00 H new ATOM 0 HG LEU A 33 71.353 -7.446 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.038 -8.019 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.168 -9.327 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.577 -8.221 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.807 -5.641 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.348 -5.845 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.486 -5.258 0.698 1.00 0.00 H new ATOM 528 N LYS A 34 74.573 -9.677 2.426 1.00 0.00 N ATOM 529 CA LYS A 34 75.869 -9.857 3.120 1.00 0.00 C ATOM 530 C LYS A 34 76.733 -10.817 2.310 1.00 0.00 C ATOM 531 O LYS A 34 77.945 -10.828 2.409 1.00 0.00 O ATOM 532 CB LYS A 34 75.524 -10.449 4.488 1.00 0.00 C ATOM 533 CG LYS A 34 76.800 -10.602 5.316 1.00 0.00 C ATOM 534 CD LYS A 34 76.880 -12.024 5.873 1.00 0.00 C ATOM 535 CE LYS A 34 76.592 -12.001 7.377 1.00 0.00 C ATOM 536 NZ LYS A 34 75.125 -12.231 7.491 1.00 0.00 N ATOM 0 H LYS A 34 73.798 -10.225 2.800 1.00 0.00 H new ATOM 0 HA LYS A 34 76.424 -8.926 3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 34 74.816 -9.803 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.040 -11.418 4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.674 -10.392 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 34 76.805 -9.880 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 34 76.161 -12.666 5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.869 -12.443 5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 34 77.155 -12.775 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 34 76.878 -11.047 7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 74.917 -12.705 8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 74.627 -11.319 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 74.805 -12.830 6.704 1.00 0.00 H new ATOM 550 N GLU A 35 76.105 -11.611 1.495 1.00 0.00 N ATOM 551 CA GLU A 35 76.856 -12.568 0.646 1.00 0.00 C ATOM 552 C GLU A 35 77.320 -11.858 -0.624 1.00 0.00 C ATOM 553 O GLU A 35 78.355 -12.164 -1.182 1.00 0.00 O ATOM 554 CB GLU A 35 75.858 -13.678 0.312 1.00 0.00 C ATOM 555 CG GLU A 35 76.409 -14.536 -0.829 1.00 0.00 C ATOM 556 CD GLU A 35 75.489 -15.737 -1.056 1.00 0.00 C ATOM 557 OE1 GLU A 35 75.256 -16.467 -0.107 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.033 -15.905 -2.174 1.00 0.00 O ATOM 0 H GLU A 35 75.092 -11.638 1.380 1.00 0.00 H new ATOM 0 HA GLU A 35 77.742 -12.966 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.678 -14.296 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.900 -13.245 0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.482 -13.943 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.416 -14.876 -0.588 1.00 0.00 H new ATOM 565 N VAL A 36 76.563 -10.893 -1.074 1.00 0.00 N ATOM 566 CA VAL A 36 76.960 -10.141 -2.294 1.00 0.00 C ATOM 567 C VAL A 36 77.929 -9.031 -1.900 1.00 0.00 C ATOM 568 O VAL A 36 78.905 -8.770 -2.575 1.00 0.00 O ATOM 569 CB VAL A 36 75.659 -9.550 -2.841 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.949 -8.780 -4.131 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.670 -10.680 -3.131 1.00 0.00 C ATOM 0 H VAL A 36 75.686 -10.595 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 36 77.456 -10.767 -3.036 1.00 0.00 H new ATOM 0 HB VAL A 36 75.230 -8.871 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.022 -8.359 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.654 -7.975 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.378 -9.457 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.742 -10.261 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.099 -11.359 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.463 -11.227 -2.211 1.00 0.00 H new ATOM 581 N PHE A 37 77.663 -8.378 -0.802 1.00 0.00 N ATOM 582 CA PHE A 37 78.554 -7.290 -0.346 1.00 0.00 C ATOM 583 C PHE A 37 79.584 -7.837 0.647 1.00 0.00 C ATOM 584 O PHE A 37 80.014 -7.150 1.552 1.00 0.00 O ATOM 585 CB PHE A 37 77.615 -6.305 0.337 1.00 0.00 C ATOM 586 CG PHE A 37 76.442 -6.014 -0.568 1.00 0.00 C ATOM 587 CD1 PHE A 37 76.625 -5.957 -1.955 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.171 -5.802 -0.022 1.00 0.00 C ATOM 589 CE1 PHE A 37 75.538 -5.689 -2.794 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.083 -5.534 -0.862 1.00 0.00 C ATOM 591 CZ PHE A 37 74.267 -5.478 -2.248 1.00 0.00 C ATOM 0 H PHE A 37 76.859 -8.558 -0.201 1.00 0.00 H new ATOM 0 HA PHE A 37 79.117 -6.830 -1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.264 -6.718 1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.146 -5.382 0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 37 77.606 -6.120 -2.377 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.029 -5.845 1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 37 75.680 -5.645 -3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.102 -5.371 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.428 -5.272 -2.896 1.00 0.00 H new ATOM 601 N GLU A 38 79.977 -9.072 0.486 1.00 0.00 N ATOM 602 CA GLU A 38 80.974 -9.668 1.422 1.00 0.00 C ATOM 603 C GLU A 38 82.141 -8.705 1.649 1.00 0.00 C ATOM 604 O GLU A 38 82.828 -8.772 2.649 1.00 0.00 O ATOM 605 CB GLU A 38 81.457 -10.941 0.724 1.00 0.00 C ATOM 606 CG GLU A 38 82.512 -11.630 1.591 1.00 0.00 C ATOM 607 CD GLU A 38 82.375 -13.147 1.452 1.00 0.00 C ATOM 608 OE1 GLU A 38 82.493 -13.634 0.339 1.00 0.00 O ATOM 609 OE2 GLU A 38 82.155 -13.797 2.461 1.00 0.00 O ATOM 0 H GLU A 38 79.651 -9.694 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 38 80.544 -9.874 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.617 -11.614 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.876 -10.696 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.510 -11.315 1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.389 -11.337 2.634 1.00 0.00 H new ATOM 616 N ASP A 39 82.373 -7.808 0.730 1.00 0.00 N ATOM 617 CA ASP A 39 83.498 -6.843 0.898 1.00 0.00 C ATOM 618 C ASP A 39 83.037 -5.634 1.715 1.00 0.00 C ATOM 619 O ASP A 39 83.782 -4.696 1.926 1.00 0.00 O ATOM 620 CB ASP A 39 83.875 -6.421 -0.522 1.00 0.00 C ATOM 621 CG ASP A 39 85.231 -5.713 -0.501 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.910 -5.806 0.507 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.566 -5.091 -1.496 1.00 0.00 O ATOM 0 H ASP A 39 81.833 -7.701 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 39 84.343 -7.281 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.919 -7.294 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.113 -5.757 -0.930 1.00 0.00 H new ATOM 628 N ALA A 40 81.816 -5.645 2.174 1.00 0.00 N ATOM 629 CA ALA A 40 81.314 -4.493 2.974 1.00 0.00 C ATOM 630 C ALA A 40 81.472 -4.777 4.471 1.00 0.00 C ATOM 631 O ALA A 40 82.070 -5.758 4.866 1.00 0.00 O ATOM 632 CB ALA A 40 79.834 -4.369 2.605 1.00 0.00 C ATOM 0 H ALA A 40 81.146 -6.400 2.030 1.00 0.00 H new ATOM 0 HA ALA A 40 81.865 -3.576 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.390 -3.539 3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.740 -4.186 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.316 -5.293 2.862 1.00 0.00 H new ATOM 638 N LEU A 41 80.937 -3.928 5.307 1.00 0.00 N ATOM 639 CA LEU A 41 81.053 -4.151 6.772 1.00 0.00 C ATOM 640 C LEU A 41 79.714 -4.614 7.331 1.00 0.00 C ATOM 641 O LEU A 41 79.625 -5.595 8.041 1.00 0.00 O ATOM 642 CB LEU A 41 81.410 -2.797 7.406 1.00 0.00 C ATOM 643 CG LEU A 41 82.221 -1.928 6.445 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.208 -0.485 6.954 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.659 -2.443 6.389 1.00 0.00 C ATOM 0 H LEU A 41 80.424 -3.089 5.035 1.00 0.00 H new ATOM 0 HA LEU A 41 81.808 -4.908 6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.497 -2.274 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.980 -2.961 8.320 1.00 0.00 H new ATOM 0 HG LEU A 41 81.787 -1.969 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.784 0.145 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.180 -0.125 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.651 -0.446 7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.240 -1.825 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.101 -2.396 7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.662 -3.475 6.038 1.00 0.00 H new ATOM 657 N GLU A 42 78.672 -3.894 7.026 1.00 0.00 N ATOM 658 CA GLU A 42 77.330 -4.270 7.553 1.00 0.00 C ATOM 659 C GLU A 42 76.262 -4.149 6.464 1.00 0.00 C ATOM 660 O GLU A 42 76.441 -3.472 5.468 1.00 0.00 O ATOM 661 CB GLU A 42 77.059 -3.274 8.680 1.00 0.00 C ATOM 662 CG GLU A 42 78.202 -3.330 9.696 1.00 0.00 C ATOM 663 CD GLU A 42 77.726 -2.754 11.032 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.707 -3.213 11.523 1.00 0.00 O ATOM 665 OE2 GLU A 42 78.388 -1.865 11.541 1.00 0.00 O ATOM 0 H GLU A 42 78.690 -3.062 6.436 1.00 0.00 H new ATOM 0 HA GLU A 42 77.303 -5.304 7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.967 -2.266 8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.113 -3.509 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.534 -4.360 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 42 79.058 -2.764 9.328 1.00 0.00 H new ATOM 672 N ILE A 43 75.148 -4.803 6.655 1.00 0.00 N ATOM 673 CA ILE A 43 74.056 -4.739 5.645 1.00 0.00 C ATOM 674 C ILE A 43 72.743 -4.324 6.311 1.00 0.00 C ATOM 675 O ILE A 43 72.479 -4.656 7.449 1.00 0.00 O ATOM 676 CB ILE A 43 73.945 -6.161 5.100 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.311 -6.619 4.587 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.932 -6.189 3.955 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.692 -5.802 3.353 1.00 0.00 C ATOM 0 H ILE A 43 74.948 -5.381 7.471 1.00 0.00 H new ATOM 0 HA ILE A 43 74.261 -4.010 4.861 1.00 0.00 H new ATOM 0 HB ILE A 43 73.614 -6.831 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 43 76.064 -6.495 5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.281 -7.680 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.852 -7.204 3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.959 -5.863 4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.262 -5.520 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.666 -6.128 2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 43 74.944 -5.949 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.739 -4.745 3.616 1.00 0.00 H new ATOM 691 N ARG A 44 71.916 -3.603 5.607 1.00 0.00 N ATOM 692 CA ARG A 44 70.619 -3.170 6.194 1.00 0.00 C ATOM 693 C ARG A 44 69.486 -3.413 5.194 1.00 0.00 C ATOM 694 O ARG A 44 69.693 -3.418 3.997 1.00 0.00 O ATOM 695 CB ARG A 44 70.790 -1.676 6.466 1.00 0.00 C ATOM 696 CG ARG A 44 71.292 -1.474 7.895 1.00 0.00 C ATOM 697 CD ARG A 44 70.302 -0.598 8.665 1.00 0.00 C ATOM 698 NE ARG A 44 69.034 -1.380 8.685 1.00 0.00 N ATOM 699 CZ ARG A 44 68.673 -2.007 9.771 1.00 0.00 C ATOM 700 NH1 ARG A 44 68.165 -1.340 10.771 1.00 0.00 N ATOM 701 NH2 ARG A 44 68.819 -3.300 9.856 1.00 0.00 N ATOM 0 H ARG A 44 72.083 -3.295 4.649 1.00 0.00 H new ATOM 0 HA ARG A 44 70.366 -3.720 7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.496 -1.245 5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.841 -1.159 6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.404 -2.438 8.392 1.00 0.00 H new ATOM 0 HG3 ARG A 44 72.276 -1.005 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 44 70.657 -0.395 9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 44 70.164 0.366 8.176 1.00 0.00 H new ATOM 0 HE ARG A 44 68.449 -1.425 7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.050 -0.329 10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 44 67.883 -1.830 11.620 1.00 0.00 H new ATOM 0 HH21 ARG A 44 69.215 -3.821 9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 44 68.537 -3.790 10.705 1.00 0.00 H new ATOM 715 N LEU A 45 68.292 -3.616 5.675 1.00 0.00 N ATOM 716 CA LEU A 45 67.147 -3.861 4.754 1.00 0.00 C ATOM 717 C LEU A 45 66.129 -2.729 4.878 1.00 0.00 C ATOM 718 O LEU A 45 65.942 -2.165 5.938 1.00 0.00 O ATOM 719 CB LEU A 45 66.539 -5.184 5.221 1.00 0.00 C ATOM 720 CG LEU A 45 66.474 -6.160 4.045 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.644 -5.546 2.917 1.00 0.00 C ATOM 722 CD2 LEU A 45 67.891 -6.442 3.539 1.00 0.00 C ATOM 0 H LEU A 45 68.059 -3.623 6.668 1.00 0.00 H new ATOM 0 HA LEU A 45 67.454 -3.903 3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.139 -5.608 6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.540 -5.015 5.623 1.00 0.00 H new ATOM 0 HG LEU A 45 66.011 -7.091 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.598 -6.242 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 45 64.635 -5.343 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.107 -4.615 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.846 -7.137 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 45 68.353 -5.510 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.484 -6.879 4.342 1.00 0.00 H new ATOM 734 N VAL A 46 65.471 -2.387 3.808 1.00 0.00 N ATOM 735 CA VAL A 46 64.472 -1.287 3.878 1.00 0.00 C ATOM 736 C VAL A 46 63.209 -1.651 3.088 1.00 0.00 C ATOM 737 O VAL A 46 63.255 -1.996 1.910 1.00 0.00 O ATOM 738 CB VAL A 46 65.177 -0.074 3.276 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.187 1.083 3.157 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.335 0.337 4.188 1.00 0.00 C ATOM 0 H VAL A 46 65.581 -2.820 2.891 1.00 0.00 H new ATOM 0 HA VAL A 46 64.142 -1.093 4.898 1.00 0.00 H new ATOM 0 HB VAL A 46 65.560 -0.325 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.690 1.949 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.358 0.788 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 46 63.805 1.338 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.843 1.203 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 46 65.948 0.591 5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.040 -0.490 4.276 1.00 0.00 H new ATOM 750 N SER A 47 62.081 -1.578 3.751 1.00 0.00 N ATOM 751 CA SER A 47 60.781 -1.913 3.105 1.00 0.00 C ATOM 752 C SER A 47 59.883 -0.677 3.049 1.00 0.00 C ATOM 753 O SER A 47 60.338 0.442 3.171 1.00 0.00 O ATOM 754 CB SER A 47 60.167 -2.975 4.016 1.00 0.00 C ATOM 755 OG SER A 47 59.174 -2.375 4.838 1.00 0.00 O ATOM 0 H SER A 47 62.009 -1.295 4.728 1.00 0.00 H new ATOM 0 HA SER A 47 60.901 -2.262 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.726 -3.773 3.418 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.940 -3.431 4.635 1.00 0.00 H new ATOM 0 HG SER A 47 58.778 -3.055 5.422 1.00 0.00 H new ATOM 819 N SER A 52 58.281 -5.760 3.090 1.00 0.00 N ATOM 820 CA SER A 52 59.453 -5.701 2.170 1.00 0.00 C ATOM 821 C SER A 52 59.133 -4.839 0.950 1.00 0.00 C ATOM 822 O SER A 52 58.104 -4.984 0.321 1.00 0.00 O ATOM 823 CB SER A 52 59.704 -7.143 1.752 1.00 0.00 C ATOM 824 OG SER A 52 60.097 -7.175 0.385 1.00 0.00 O ATOM 0 HA SER A 52 60.326 -5.257 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 52 60.481 -7.585 2.376 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.802 -7.738 1.897 1.00 0.00 H new ATOM 0 HG SER A 52 59.402 -7.618 -0.145 1.00 0.00 H new ATOM 830 N LYS A 53 60.015 -3.949 0.615 1.00 0.00 N ATOM 831 CA LYS A 53 59.783 -3.071 -0.565 1.00 0.00 C ATOM 832 C LYS A 53 60.890 -3.301 -1.586 1.00 0.00 C ATOM 833 O LYS A 53 60.703 -3.133 -2.775 1.00 0.00 O ATOM 834 CB LYS A 53 59.837 -1.643 -0.021 1.00 0.00 C ATOM 835 CG LYS A 53 59.054 -0.712 -0.949 1.00 0.00 C ATOM 836 CD LYS A 53 59.935 -0.314 -2.135 1.00 0.00 C ATOM 837 CE LYS A 53 59.085 -0.255 -3.406 1.00 0.00 C ATOM 838 NZ LYS A 53 58.606 -1.651 -3.612 1.00 0.00 N ATOM 0 H LYS A 53 60.893 -3.788 1.108 1.00 0.00 H new ATOM 0 HA LYS A 53 58.833 -3.271 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.416 -1.610 0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 53 60.872 -1.311 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 53 58.151 -1.210 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.735 0.177 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 53 60.397 0.655 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 53 60.744 -1.034 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.250 0.436 -3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 53 59.671 0.091 -4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 58.574 -1.860 -4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 59.256 -2.314 -3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 57.654 -1.755 -3.207 1.00 0.00 H new ATOM 852 N GLY A 54 62.043 -3.695 -1.127 1.00 0.00 N ATOM 853 CA GLY A 54 63.164 -3.948 -2.063 1.00 0.00 C ATOM 854 C GLY A 54 64.291 -2.946 -1.816 1.00 0.00 C ATOM 855 O GLY A 54 65.124 -2.731 -2.672 1.00 0.00 O ATOM 0 H GLY A 54 62.255 -3.852 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.535 -4.964 -1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 54 62.814 -3.867 -3.092 1.00 0.00 H new ATOM 859 N ILE A 55 64.342 -2.328 -0.662 1.00 0.00 N ATOM 860 CA ILE A 55 65.443 -1.352 -0.417 1.00 0.00 C ATOM 861 C ILE A 55 66.329 -1.840 0.732 1.00 0.00 C ATOM 862 O ILE A 55 65.961 -2.726 1.474 1.00 0.00 O ATOM 863 CB ILE A 55 64.741 -0.043 -0.058 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.593 0.206 -1.038 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.741 1.110 -0.149 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.162 0.495 -2.429 1.00 0.00 C ATOM 0 H ILE A 55 63.682 -2.454 0.106 1.00 0.00 H new ATOM 0 HA ILE A 55 66.095 -1.229 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 55 64.347 -0.108 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 55 62.938 -0.664 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 55 62.988 1.047 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.243 2.045 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.562 0.935 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.132 1.173 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.344 0.672 -3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 55 64.799 1.378 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.748 -0.359 -2.767 1.00 0.00 H new ATOM 878 N ALA A 56 67.498 -1.275 0.880 1.00 0.00 N ATOM 879 CA ALA A 56 68.401 -1.718 1.981 1.00 0.00 C ATOM 880 C ALA A 56 69.593 -0.767 2.105 1.00 0.00 C ATOM 881 O ALA A 56 69.857 0.033 1.230 1.00 0.00 O ATOM 882 CB ALA A 56 68.868 -3.114 1.570 1.00 0.00 C ATOM 0 H ALA A 56 67.865 -0.529 0.289 1.00 0.00 H new ATOM 0 HA ALA A 56 67.900 -1.723 2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.539 -3.512 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.004 -3.771 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.394 -3.056 0.617 1.00 0.00 H new ATOM 888 N TYR A 57 70.321 -0.854 3.184 1.00 0.00 N ATOM 889 CA TYR A 57 71.502 0.038 3.360 1.00 0.00 C ATOM 890 C TYR A 57 72.777 -0.806 3.425 1.00 0.00 C ATOM 891 O TYR A 57 72.921 -1.668 4.268 1.00 0.00 O ATOM 892 CB TYR A 57 71.263 0.766 4.683 1.00 0.00 C ATOM 893 CG TYR A 57 70.975 2.223 4.411 1.00 0.00 C ATOM 894 CD1 TYR A 57 72.018 3.089 4.064 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.665 2.707 4.505 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.752 4.440 3.813 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.398 4.058 4.254 1.00 0.00 C ATOM 898 CZ TYR A 57 70.442 4.925 3.907 1.00 0.00 C ATOM 899 OH TYR A 57 70.179 6.257 3.659 1.00 0.00 O ATOM 0 H TYR A 57 70.149 -1.504 3.951 1.00 0.00 H new ATOM 0 HA TYR A 57 71.623 0.741 2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.426 0.312 5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.138 0.671 5.326 1.00 0.00 H new ATOM 0 HD1 TYR A 57 73.028 2.715 3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.860 2.038 4.771 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.557 5.108 3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.387 4.432 4.328 1.00 0.00 H new ATOM 0 HH TYR A 57 69.220 6.427 3.767 1.00 0.00 H new ATOM 909 N ILE A 58 73.697 -0.573 2.532 1.00 0.00 N ATOM 910 CA ILE A 58 74.956 -1.374 2.533 1.00 0.00 C ATOM 911 C ILE A 58 76.129 -0.515 3.016 1.00 0.00 C ATOM 912 O ILE A 58 76.378 0.556 2.499 1.00 0.00 O ATOM 913 CB ILE A 58 75.178 -1.801 1.072 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.834 -1.952 0.346 1.00 0.00 C ATOM 915 CG2 ILE A 58 75.910 -3.141 1.043 1.00 0.00 C ATOM 916 CD1 ILE A 58 72.930 -2.892 1.139 1.00 0.00 C ATOM 0 H ILE A 58 73.634 0.136 1.802 1.00 0.00 H new ATOM 0 HA ILE A 58 74.887 -2.234 3.199 1.00 0.00 H new ATOM 0 HB ILE A 58 75.770 -1.036 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.357 -0.978 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.993 -2.345 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.069 -3.446 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 58 76.873 -3.040 1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.311 -3.894 1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 58 71.975 -2.999 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.407 -3.868 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 58 72.761 -2.481 2.134 1.00 0.00 H new ATOM 928 N GLU A 59 76.854 -0.972 4.002 1.00 0.00 N ATOM 929 CA GLU A 59 78.012 -0.169 4.507 1.00 0.00 C ATOM 930 C GLU A 59 79.320 -0.916 4.247 1.00 0.00 C ATOM 931 O GLU A 59 79.487 -2.048 4.659 1.00 0.00 O ATOM 932 CB GLU A 59 77.803 -0.005 6.021 1.00 0.00 C ATOM 933 CG GLU A 59 76.323 -0.136 6.387 1.00 0.00 C ATOM 934 CD GLU A 59 75.512 0.914 5.623 1.00 0.00 C ATOM 935 OE1 GLU A 59 75.776 2.090 5.813 1.00 0.00 O ATOM 936 OE2 GLU A 59 74.641 0.524 4.863 1.00 0.00 O ATOM 0 H GLU A 59 76.698 -1.860 4.479 1.00 0.00 H new ATOM 0 HA GLU A 59 78.069 0.797 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.382 -0.758 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.176 0.968 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.964 -1.136 6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.190 -0.003 7.461 1.00 0.00 H new ATOM 943 N PHE A 60 80.253 -0.298 3.579 1.00 0.00 N ATOM 944 CA PHE A 60 81.544 -0.989 3.317 1.00 0.00 C ATOM 945 C PHE A 60 82.676 -0.318 4.092 1.00 0.00 C ATOM 946 O PHE A 60 82.504 0.715 4.707 1.00 0.00 O ATOM 947 CB PHE A 60 81.790 -0.856 1.818 1.00 0.00 C ATOM 948 CG PHE A 60 80.735 -1.622 1.056 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.465 -1.065 0.864 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.030 -2.889 0.539 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.490 -1.778 0.155 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.056 -3.600 -0.170 1.00 0.00 C ATOM 953 CZ PHE A 60 78.785 -3.045 -0.362 1.00 0.00 C ATOM 0 H PHE A 60 80.178 0.648 3.206 1.00 0.00 H new ATOM 0 HA PHE A 60 81.507 -2.032 3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.769 0.195 1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.780 -1.236 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.237 -0.087 1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.010 -3.318 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.510 -1.350 0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.284 -4.577 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.033 -3.594 -0.909 1.00 0.00 H new ATOM 963 N LYS A 61 83.832 -0.909 4.061 1.00 0.00 N ATOM 964 CA LYS A 61 84.997 -0.329 4.792 1.00 0.00 C ATOM 965 C LYS A 61 85.461 0.960 4.115 1.00 0.00 C ATOM 966 O LYS A 61 86.088 1.803 4.727 1.00 0.00 O ATOM 967 CB LYS A 61 86.086 -1.399 4.715 1.00 0.00 C ATOM 968 CG LYS A 61 86.938 -1.353 5.984 1.00 0.00 C ATOM 969 CD LYS A 61 88.236 -0.592 5.702 1.00 0.00 C ATOM 970 CE LYS A 61 88.884 -0.178 7.025 1.00 0.00 C ATOM 971 NZ LYS A 61 89.835 -1.278 7.348 1.00 0.00 N ATOM 0 H LYS A 61 84.026 -1.775 3.559 1.00 0.00 H new ATOM 0 HA LYS A 61 84.750 -0.072 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.635 -2.385 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.712 -1.233 3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 61 86.386 -0.866 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 61 87.163 -2.365 6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.920 -1.219 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.029 0.289 5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.402 0.776 6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 61 88.137 -0.058 7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.319 -1.066 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 89.313 -2.173 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 90.538 -1.364 6.586 1.00 0.00 H new ATOM 985 N SER A 62 85.161 1.120 2.858 1.00 0.00 N ATOM 986 CA SER A 62 85.590 2.356 2.147 1.00 0.00 C ATOM 987 C SER A 62 84.820 2.511 0.833 1.00 0.00 C ATOM 988 O SER A 62 84.264 1.563 0.307 1.00 0.00 O ATOM 989 CB SER A 62 87.081 2.164 1.870 1.00 0.00 C ATOM 990 OG SER A 62 87.581 1.107 2.680 1.00 0.00 O ATOM 0 H SER A 62 84.639 0.451 2.293 1.00 0.00 H new ATOM 0 HA SER A 62 85.397 3.252 2.737 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.240 1.935 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.623 3.086 2.081 1.00 0.00 H new ATOM 0 HG SER A 62 87.570 0.271 2.170 1.00 0.00 H new ATOM 996 N GLU A 63 84.789 3.701 0.298 1.00 0.00 N ATOM 997 CA GLU A 63 84.065 3.920 -0.983 1.00 0.00 C ATOM 998 C GLU A 63 84.563 2.926 -2.031 1.00 0.00 C ATOM 999 O GLU A 63 83.804 2.419 -2.830 1.00 0.00 O ATOM 1000 CB GLU A 63 84.405 5.353 -1.392 1.00 0.00 C ATOM 1001 CG GLU A 63 83.879 5.621 -2.804 1.00 0.00 C ATOM 1002 CD GLU A 63 84.930 6.395 -3.602 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.061 5.944 -3.647 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.583 7.427 -4.153 1.00 0.00 O ATOM 0 H GLU A 63 85.234 4.529 0.693 1.00 0.00 H new ATOM 0 HA GLU A 63 82.989 3.775 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.962 6.058 -0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.484 5.505 -1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.649 4.679 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 63 82.951 6.191 -2.756 1.00 0.00 H new ATOM 1011 N ALA A 64 85.837 2.637 -2.029 1.00 0.00 N ATOM 1012 CA ALA A 64 86.378 1.673 -3.021 1.00 0.00 C ATOM 1013 C ALA A 64 85.749 0.299 -2.796 1.00 0.00 C ATOM 1014 O ALA A 64 85.419 -0.405 -3.729 1.00 0.00 O ATOM 1015 CB ALA A 64 87.884 1.628 -2.760 1.00 0.00 C ATOM 0 H ALA A 64 86.523 3.028 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 64 86.160 1.965 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.354 0.934 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.307 2.623 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.066 1.295 -1.738 1.00 0.00 H new ATOM 1021 N ASP A 65 85.558 -0.079 -1.562 1.00 0.00 N ATOM 1022 CA ASP A 65 84.925 -1.395 -1.287 1.00 0.00 C ATOM 1023 C ASP A 65 83.475 -1.337 -1.751 1.00 0.00 C ATOM 1024 O ASP A 65 83.030 -2.134 -2.555 1.00 0.00 O ATOM 1025 CB ASP A 65 85.004 -1.571 0.230 1.00 0.00 C ATOM 1026 CG ASP A 65 86.370 -2.147 0.609 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.319 -1.382 0.665 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.444 -3.344 0.836 1.00 0.00 O ATOM 0 H ASP A 65 85.812 0.465 -0.737 1.00 0.00 H new ATOM 0 HA ASP A 65 85.411 -2.224 -1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.852 -0.612 0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.210 -2.236 0.571 1.00 0.00 H new ATOM 1033 N ALA A 66 82.739 -0.374 -1.266 1.00 0.00 N ATOM 1034 CA ALA A 66 81.321 -0.238 -1.694 1.00 0.00 C ATOM 1035 C ALA A 66 81.262 0.043 -3.200 1.00 0.00 C ATOM 1036 O ALA A 66 80.429 -0.487 -3.912 1.00 0.00 O ATOM 1037 CB ALA A 66 80.781 0.955 -0.904 1.00 0.00 C ATOM 0 H ALA A 66 83.059 0.322 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 66 80.739 -1.141 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.736 1.121 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.861 0.750 0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.361 1.845 -1.147 1.00 0.00 H new ATOM 1043 N GLU A 67 82.149 0.869 -3.692 1.00 0.00 N ATOM 1044 CA GLU A 67 82.151 1.180 -5.147 1.00 0.00 C ATOM 1045 C GLU A 67 82.602 -0.045 -5.942 1.00 0.00 C ATOM 1046 O GLU A 67 82.008 -0.406 -6.937 1.00 0.00 O ATOM 1047 CB GLU A 67 83.152 2.325 -5.312 1.00 0.00 C ATOM 1048 CG GLU A 67 83.319 2.648 -6.797 1.00 0.00 C ATOM 1049 CD GLU A 67 84.696 2.176 -7.271 1.00 0.00 C ATOM 1050 OE1 GLU A 67 85.244 1.288 -6.641 1.00 0.00 O ATOM 1051 OE2 GLU A 67 85.177 2.713 -8.255 1.00 0.00 O ATOM 0 H GLU A 67 82.871 1.340 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 67 81.161 1.454 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 67 82.804 3.207 -4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.113 2.047 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 67 82.536 2.159 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.214 3.721 -6.961 1.00 0.00 H new ATOM 1058 N LYS A 68 83.647 -0.695 -5.504 1.00 0.00 N ATOM 1059 CA LYS A 68 84.128 -1.902 -6.231 1.00 0.00 C ATOM 1060 C LYS A 68 83.020 -2.954 -6.252 1.00 0.00 C ATOM 1061 O LYS A 68 82.816 -3.640 -7.233 1.00 0.00 O ATOM 1062 CB LYS A 68 85.331 -2.398 -5.429 1.00 0.00 C ATOM 1063 CG LYS A 68 85.784 -3.754 -5.975 1.00 0.00 C ATOM 1064 CD LYS A 68 85.122 -4.875 -5.173 1.00 0.00 C ATOM 1065 CE LYS A 68 85.849 -6.195 -5.443 1.00 0.00 C ATOM 1066 NZ LYS A 68 86.285 -6.674 -4.102 1.00 0.00 N ATOM 0 H LYS A 68 84.186 -0.442 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 68 84.398 -1.692 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.146 -1.677 -5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.067 -2.488 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 68 85.518 -3.841 -7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 68 86.869 -3.839 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.153 -4.642 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 68 84.071 -4.963 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 68 85.190 -6.917 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.701 -6.048 -6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 86.348 -7.712 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.217 -6.272 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 85.595 -6.373 -3.385 1.00 0.00 H new ATOM 1080 N ASN A 69 82.299 -3.078 -5.172 1.00 0.00 N ATOM 1081 CA ASN A 69 81.197 -4.077 -5.125 1.00 0.00 C ATOM 1082 C ASN A 69 80.046 -3.627 -6.028 1.00 0.00 C ATOM 1083 O ASN A 69 79.477 -4.409 -6.762 1.00 0.00 O ATOM 1084 CB ASN A 69 80.757 -4.105 -3.662 1.00 0.00 C ATOM 1085 CG ASN A 69 81.348 -5.338 -2.978 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.650 -6.064 -2.300 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.616 -5.605 -3.127 1.00 0.00 N ATOM 0 H ASN A 69 82.426 -2.531 -4.321 1.00 0.00 H new ATOM 0 HA ASN A 69 81.508 -5.061 -5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.088 -3.200 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.669 -4.126 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.021 -6.424 -2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.202 -4.995 -3.697 1.00 0.00 H new ATOM 1094 N LEU A 70 79.700 -2.370 -5.980 1.00 0.00 N ATOM 1095 CA LEU A 70 78.585 -1.869 -6.838 1.00 0.00 C ATOM 1096 C LEU A 70 79.030 -1.789 -8.300 1.00 0.00 C ATOM 1097 O LEU A 70 78.232 -1.906 -9.208 1.00 0.00 O ATOM 1098 CB LEU A 70 78.270 -0.475 -6.293 1.00 0.00 C ATOM 1099 CG LEU A 70 77.013 0.072 -6.971 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.297 1.032 -6.020 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.407 0.822 -8.245 1.00 0.00 C ATOM 0 H LEU A 70 80.139 -1.668 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 70 77.716 -2.526 -6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.122 -0.521 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.112 0.194 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 70 76.349 -0.754 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.401 1.422 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.017 0.501 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.962 1.858 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 70 76.512 1.212 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.071 1.648 -7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 70 77.919 0.141 -8.925 1.00 0.00 H new ATOM 1113 N GLU A 71 80.298 -1.597 -8.537 1.00 0.00 N ATOM 1114 CA GLU A 71 80.787 -1.516 -9.943 1.00 0.00 C ATOM 1115 C GLU A 71 81.143 -2.914 -10.454 1.00 0.00 C ATOM 1116 O GLU A 71 81.138 -3.172 -11.642 1.00 0.00 O ATOM 1117 CB GLU A 71 82.036 -0.635 -9.883 1.00 0.00 C ATOM 1118 CG GLU A 71 81.632 0.833 -10.038 1.00 0.00 C ATOM 1119 CD GLU A 71 81.483 1.166 -11.524 1.00 0.00 C ATOM 1120 OE1 GLU A 71 80.609 0.595 -12.154 1.00 0.00 O ATOM 1121 OE2 GLU A 71 82.247 1.988 -12.005 1.00 0.00 O ATOM 0 H GLU A 71 81.016 -1.493 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 71 80.036 -1.108 -10.619 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.553 -0.783 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.732 -0.917 -10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.693 1.020 -9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.384 1.478 -9.583 1.00 0.00 H new ATOM 1128 N GLU A 72 81.451 -3.817 -9.566 1.00 0.00 N ATOM 1129 CA GLU A 72 81.805 -5.190 -9.990 1.00 0.00 C ATOM 1130 C GLU A 72 80.809 -6.200 -9.410 1.00 0.00 C ATOM 1131 O GLU A 72 80.978 -7.395 -9.540 1.00 0.00 O ATOM 1132 CB GLU A 72 83.206 -5.431 -9.425 1.00 0.00 C ATOM 1133 CG GLU A 72 83.988 -6.343 -10.372 1.00 0.00 C ATOM 1134 CD GLU A 72 85.483 -6.048 -10.248 1.00 0.00 C ATOM 1135 OE1 GLU A 72 85.832 -4.881 -10.166 1.00 0.00 O ATOM 1136 OE2 GLU A 72 86.256 -6.992 -10.236 1.00 0.00 O ATOM 0 H GLU A 72 81.471 -3.657 -8.559 1.00 0.00 H new ATOM 0 HA GLU A 72 81.777 -5.306 -11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.729 -4.482 -9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 72 83.138 -5.887 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 72 83.792 -7.388 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.660 -6.185 -11.399 1.00 0.00 H new ATOM 1143 N LYS A 73 79.772 -5.727 -8.771 1.00 0.00 N ATOM 1144 CA LYS A 73 78.771 -6.664 -8.184 1.00 0.00 C ATOM 1145 C LYS A 73 77.570 -5.886 -7.639 1.00 0.00 C ATOM 1146 O LYS A 73 77.179 -6.062 -6.503 1.00 0.00 O ATOM 1147 CB LYS A 73 79.511 -7.372 -7.048 1.00 0.00 C ATOM 1148 CG LYS A 73 80.002 -8.738 -7.532 1.00 0.00 C ATOM 1149 CD LYS A 73 81.526 -8.805 -7.410 1.00 0.00 C ATOM 1150 CE LYS A 73 81.905 -9.522 -6.112 1.00 0.00 C ATOM 1151 NZ LYS A 73 82.333 -10.883 -6.536 1.00 0.00 N ATOM 0 H LYS A 73 79.575 -4.736 -8.631 1.00 0.00 H new ATOM 0 HA LYS A 73 78.384 -7.368 -8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 73 80.355 -6.767 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 73 78.850 -7.494 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 73 79.544 -9.531 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.702 -8.898 -8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 73 81.947 -9.333 -8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 73 81.946 -7.799 -7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 73 82.708 -9.000 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 73 81.059 -9.570 -5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 82.609 -11.436 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 81.546 -11.359 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 83.144 -10.806 -7.183 1.00 0.00 H new ATOM 1165 N GLN A 74 76.992 -5.031 -8.446 1.00 0.00 N ATOM 1166 CA GLN A 74 75.810 -4.222 -8.005 1.00 0.00 C ATOM 1167 C GLN A 74 74.951 -5.003 -7.000 1.00 0.00 C ATOM 1168 O GLN A 74 75.234 -5.024 -5.820 1.00 0.00 O ATOM 1169 CB GLN A 74 75.028 -3.952 -9.292 1.00 0.00 C ATOM 1170 CG GLN A 74 73.788 -3.118 -8.969 1.00 0.00 C ATOM 1171 CD GLN A 74 74.115 -1.628 -9.096 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.223 -0.807 -9.168 1.00 0.00 O ATOM 1173 NE2 GLN A 74 75.362 -1.237 -9.114 1.00 0.00 N ATOM 0 H GLN A 74 77.292 -4.856 -9.405 1.00 0.00 H new ATOM 0 HA GLN A 74 76.107 -3.304 -7.498 1.00 0.00 H new ATOM 0 HB2 GLN A 74 75.657 -3.425 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 74 74.735 -4.894 -9.757 1.00 0.00 H new ATOM 0 HG2 GLN A 74 72.976 -3.380 -9.647 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.443 -3.339 -7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 74 76.113 -1.925 -9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 74 75.584 -0.244 -9.188 1.00 0.00 H new ATOM 1182 N GLY A 75 73.899 -5.639 -7.446 1.00 0.00 N ATOM 1183 CA GLY A 75 73.046 -6.399 -6.497 1.00 0.00 C ATOM 1184 C GLY A 75 73.146 -7.896 -6.792 1.00 0.00 C ATOM 1185 O GLY A 75 72.289 -8.667 -6.412 1.00 0.00 O ATOM 0 H GLY A 75 73.598 -5.663 -8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 75 73.360 -6.200 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.010 -6.071 -6.583 1.00 0.00 H new ATOM 1189 N ALA A 76 74.189 -8.310 -7.462 1.00 0.00 N ATOM 1190 CA ALA A 76 74.358 -9.760 -7.781 1.00 0.00 C ATOM 1191 C ALA A 76 73.113 -10.313 -8.484 1.00 0.00 C ATOM 1192 O ALA A 76 72.045 -10.394 -7.910 1.00 0.00 O ATOM 1193 CB ALA A 76 74.553 -10.440 -6.427 1.00 0.00 C ATOM 0 H ALA A 76 74.935 -7.704 -7.804 1.00 0.00 H new ATOM 0 HA ALA A 76 75.197 -9.933 -8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.685 -11.512 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.436 -10.030 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.677 -10.264 -5.802 1.00 0.00 H new ATOM 1199 N GLU A 77 73.244 -10.703 -9.722 1.00 0.00 N ATOM 1200 CA GLU A 77 72.070 -11.257 -10.456 1.00 0.00 C ATOM 1201 C GLU A 77 71.447 -12.411 -9.664 1.00 0.00 C ATOM 1202 O GLU A 77 71.809 -13.559 -9.830 1.00 0.00 O ATOM 1203 CB GLU A 77 72.635 -11.761 -11.784 1.00 0.00 C ATOM 1204 CG GLU A 77 71.596 -11.563 -12.888 1.00 0.00 C ATOM 1205 CD GLU A 77 70.728 -12.819 -13.004 1.00 0.00 C ATOM 1206 OE1 GLU A 77 70.073 -13.153 -12.031 1.00 0.00 O ATOM 1207 OE2 GLU A 77 70.736 -13.425 -14.062 1.00 0.00 O ATOM 0 H GLU A 77 74.112 -10.662 -10.257 1.00 0.00 H new ATOM 0 HA GLU A 77 71.286 -10.514 -10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.550 -11.222 -12.030 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.898 -12.816 -11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 77 70.973 -10.697 -12.665 1.00 0.00 H new ATOM 0 HG3 GLU A 77 72.092 -11.362 -13.837 1.00 0.00 H new ATOM 1214 N ILE A 78 70.507 -12.114 -8.807 1.00 0.00 N ATOM 1215 CA ILE A 78 69.852 -13.189 -8.007 1.00 0.00 C ATOM 1216 C ILE A 78 68.336 -13.006 -8.058 1.00 0.00 C ATOM 1217 O ILE A 78 67.837 -12.087 -8.674 1.00 0.00 O ATOM 1218 CB ILE A 78 70.360 -13.003 -6.573 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.888 -12.900 -6.570 1.00 0.00 C ATOM 1220 CG2 ILE A 78 69.938 -14.200 -5.720 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.339 -12.067 -5.369 1.00 0.00 C ATOM 0 H ILE A 78 70.164 -11.171 -8.626 1.00 0.00 H new ATOM 0 HA ILE A 78 70.081 -14.185 -8.386 1.00 0.00 H new ATOM 0 HB ILE A 78 69.933 -12.088 -6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.330 -13.895 -6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.234 -12.441 -7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.300 -14.066 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.851 -14.276 -5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.362 -15.113 -6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.426 -11.993 -5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.907 -11.068 -5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.005 -12.545 -4.448 1.00 0.00 H new ATOM 1233 N ASP A 79 67.593 -13.865 -7.424 1.00 0.00 N ATOM 1234 CA ASP A 79 66.115 -13.715 -7.457 1.00 0.00 C ATOM 1235 C ASP A 79 65.658 -13.444 -8.891 1.00 0.00 C ATOM 1236 O ASP A 79 64.632 -12.836 -9.126 1.00 0.00 O ATOM 1237 CB ASP A 79 65.817 -12.513 -6.558 1.00 0.00 C ATOM 1238 CG ASP A 79 64.589 -12.812 -5.696 1.00 0.00 C ATOM 1239 OD1 ASP A 79 64.757 -13.426 -4.655 1.00 0.00 O ATOM 1240 OD2 ASP A 79 63.502 -12.421 -6.091 1.00 0.00 O ATOM 0 H ASP A 79 67.942 -14.659 -6.888 1.00 0.00 H new ATOM 0 HA ASP A 79 65.595 -14.610 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.677 -12.298 -5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 79 65.640 -11.626 -7.166 1.00 0.00 H new ATOM 1245 N GLY A 80 66.416 -13.899 -9.851 1.00 0.00 N ATOM 1246 CA GLY A 80 66.041 -13.684 -11.269 1.00 0.00 C ATOM 1247 C GLY A 80 66.444 -12.275 -11.711 1.00 0.00 C ATOM 1248 O GLY A 80 65.944 -11.760 -12.692 1.00 0.00 O ATOM 0 H GLY A 80 67.285 -14.414 -9.708 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.531 -14.426 -11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.967 -13.820 -11.394 1.00 0.00 H new ATOM 1252 N ARG A 81 67.346 -11.645 -11.003 1.00 0.00 N ATOM 1253 CA ARG A 81 67.775 -10.270 -11.396 1.00 0.00 C ATOM 1254 C ARG A 81 68.791 -9.720 -10.390 1.00 0.00 C ATOM 1255 O ARG A 81 68.743 -10.023 -9.215 1.00 0.00 O ATOM 1256 CB ARG A 81 66.497 -9.428 -11.371 1.00 0.00 C ATOM 1257 CG ARG A 81 65.793 -9.604 -10.024 1.00 0.00 C ATOM 1258 CD ARG A 81 64.302 -9.300 -10.184 1.00 0.00 C ATOM 1259 NE ARG A 81 64.249 -7.993 -10.895 1.00 0.00 N ATOM 1260 CZ ARG A 81 63.206 -7.683 -11.614 1.00 0.00 C ATOM 1261 NH1 ARG A 81 62.901 -8.399 -12.662 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.468 -6.658 -11.286 1.00 0.00 N ATOM 0 H ARG A 81 67.803 -12.022 -10.172 1.00 0.00 H new ATOM 0 HA ARG A 81 68.255 -10.258 -12.375 1.00 0.00 H new ATOM 0 HB2 ARG A 81 66.738 -8.377 -11.532 1.00 0.00 H new ATOM 0 HB3 ARG A 81 65.834 -9.731 -12.182 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.930 -10.622 -9.660 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.233 -8.938 -9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 81 63.799 -10.081 -10.755 1.00 0.00 H new ATOM 0 HD3 ARG A 81 63.805 -9.243 -9.216 1.00 0.00 H new ATOM 0 HE ARG A 81 65.029 -7.340 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 81 63.478 -9.200 -12.918 1.00 0.00 H new ATOM 0 HH12 ARG A 81 62.085 -8.157 -13.225 1.00 0.00 H new ATOM 0 HH21 ARG A 81 62.707 -6.099 -10.467 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.652 -6.416 -11.849 1.00 0.00 H new ATOM 1276 N SER A 82 69.708 -8.909 -10.841 1.00 0.00 N ATOM 1277 CA SER A 82 70.718 -8.337 -9.907 1.00 0.00 C ATOM 1278 C SER A 82 70.108 -7.160 -9.143 1.00 0.00 C ATOM 1279 O SER A 82 69.444 -6.319 -9.714 1.00 0.00 O ATOM 1280 CB SER A 82 71.862 -7.863 -10.801 1.00 0.00 C ATOM 1281 OG SER A 82 71.768 -8.505 -12.066 1.00 0.00 O ATOM 0 H SER A 82 69.801 -8.618 -11.814 1.00 0.00 H new ATOM 0 HA SER A 82 71.059 -9.060 -9.166 1.00 0.00 H new ATOM 0 HB2 SER A 82 71.817 -6.781 -10.925 1.00 0.00 H new ATOM 0 HB3 SER A 82 72.821 -8.091 -10.335 1.00 0.00 H new ATOM 0 HG SER A 82 72.500 -8.201 -12.642 1.00 0.00 H new ATOM 1287 N VAL A 83 70.319 -7.091 -7.856 1.00 0.00 N ATOM 1288 CA VAL A 83 69.737 -5.962 -7.076 1.00 0.00 C ATOM 1289 C VAL A 83 70.422 -4.647 -7.472 1.00 0.00 C ATOM 1290 O VAL A 83 71.510 -4.639 -8.013 1.00 0.00 O ATOM 1291 CB VAL A 83 69.976 -6.329 -5.601 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.206 -5.069 -4.759 1.00 0.00 C ATOM 1293 CG2 VAL A 83 68.750 -7.073 -5.065 1.00 0.00 C ATOM 0 H VAL A 83 70.865 -7.762 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 83 68.674 -5.813 -7.266 1.00 0.00 H new ATOM 0 HB VAL A 83 70.862 -6.961 -5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.373 -5.351 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.079 -4.535 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.330 -4.423 -4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 83 68.912 -7.336 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 83 67.872 -6.433 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 83 68.592 -7.981 -5.647 1.00 0.00 H new ATOM 1303 N SER A 84 69.786 -3.536 -7.220 1.00 0.00 N ATOM 1304 CA SER A 84 70.397 -2.230 -7.595 1.00 0.00 C ATOM 1305 C SER A 84 71.007 -1.556 -6.366 1.00 0.00 C ATOM 1306 O SER A 84 70.383 -1.451 -5.329 1.00 0.00 O ATOM 1307 CB SER A 84 69.241 -1.397 -8.143 1.00 0.00 C ATOM 1308 OG SER A 84 68.202 -2.264 -8.582 1.00 0.00 O ATOM 0 H SER A 84 68.872 -3.476 -6.772 1.00 0.00 H new ATOM 0 HA SER A 84 71.200 -2.345 -8.323 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.866 -0.723 -7.373 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.585 -0.776 -8.970 1.00 0.00 H new ATOM 0 HG SER A 84 67.539 -1.750 -9.089 1.00 0.00 H new ATOM 1314 N LEU A 85 72.221 -1.096 -6.477 1.00 0.00 N ATOM 1315 CA LEU A 85 72.869 -0.425 -5.317 1.00 0.00 C ATOM 1316 C LEU A 85 72.788 1.094 -5.480 1.00 0.00 C ATOM 1317 O LEU A 85 73.240 1.650 -6.461 1.00 0.00 O ATOM 1318 CB LEU A 85 74.323 -0.893 -5.348 1.00 0.00 C ATOM 1319 CG LEU A 85 74.394 -2.372 -4.964 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.854 -2.773 -4.746 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.606 -2.602 -3.673 1.00 0.00 C ATOM 0 H LEU A 85 72.792 -1.156 -7.320 1.00 0.00 H new ATOM 0 HA LEU A 85 72.385 -0.671 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.742 -0.745 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.922 -0.299 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 85 73.966 -2.976 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.905 -3.827 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 85 76.417 -2.609 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.282 -2.169 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.656 -3.656 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 85 74.034 -1.998 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.565 -2.316 -3.826 1.00 0.00 H new ATOM 1333 N TYR A 86 72.218 1.766 -4.520 1.00 0.00 N ATOM 1334 CA TYR A 86 72.107 3.248 -4.609 1.00 0.00 C ATOM 1335 C TYR A 86 73.118 3.896 -3.669 1.00 0.00 C ATOM 1336 O TYR A 86 72.881 4.039 -2.487 1.00 0.00 O ATOM 1337 CB TYR A 86 70.689 3.571 -4.154 1.00 0.00 C ATOM 1338 CG TYR A 86 69.730 3.399 -5.306 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.714 2.203 -6.032 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.852 4.435 -5.643 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.821 2.044 -7.098 1.00 0.00 C ATOM 1342 CE2 TYR A 86 67.958 4.276 -6.708 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.942 3.081 -7.436 1.00 0.00 C ATOM 1344 OH TYR A 86 67.061 2.924 -8.487 1.00 0.00 O ATOM 0 H TYR A 86 71.823 1.352 -3.676 1.00 0.00 H new ATOM 0 HA TYR A 86 72.306 3.618 -5.615 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.404 2.916 -3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.642 4.593 -3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.390 1.403 -5.770 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.864 5.357 -5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.810 1.122 -7.660 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.280 5.076 -6.968 1.00 0.00 H new ATOM 0 HH TYR A 86 66.523 3.737 -8.587 1.00 0.00 H new ATOM 1354 N TYR A 87 74.245 4.286 -4.183 1.00 0.00 N ATOM 1355 CA TYR A 87 75.271 4.918 -3.325 1.00 0.00 C ATOM 1356 C TYR A 87 74.665 6.088 -2.551 1.00 0.00 C ATOM 1357 O TYR A 87 73.466 6.290 -2.541 1.00 0.00 O ATOM 1358 CB TYR A 87 76.336 5.417 -4.299 1.00 0.00 C ATOM 1359 CG TYR A 87 77.714 5.076 -3.780 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.923 4.870 -2.410 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.784 4.966 -4.676 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.202 4.553 -1.939 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.063 4.649 -4.203 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.273 4.442 -2.835 1.00 0.00 C ATOM 1365 OH TYR A 87 81.533 4.130 -2.370 1.00 0.00 O ATOM 0 H TYR A 87 74.499 4.193 -5.166 1.00 0.00 H new ATOM 0 HA TYR A 87 75.679 4.228 -2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.185 4.964 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.244 6.495 -4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.098 4.956 -1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.623 5.126 -5.732 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.364 4.394 -0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.888 4.564 -4.894 1.00 0.00 H new ATOM 0 HH TYR A 87 81.765 4.727 -1.628 1.00 0.00 H new ATOM 1375 N THR A 88 75.488 6.862 -1.910 1.00 0.00 N ATOM 1376 CA THR A 88 74.972 8.029 -1.137 1.00 0.00 C ATOM 1377 C THR A 88 76.134 8.824 -0.540 1.00 0.00 C ATOM 1378 O THR A 88 76.022 9.409 0.519 1.00 0.00 O ATOM 1379 CB THR A 88 74.107 7.423 -0.030 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.432 6.049 0.125 1.00 0.00 O ATOM 1381 CG2 THR A 88 72.630 7.562 -0.401 1.00 0.00 C ATOM 0 H THR A 88 76.500 6.740 -1.885 1.00 0.00 H new ATOM 0 HA THR A 88 74.405 8.719 -1.762 1.00 0.00 H new ATOM 0 HB THR A 88 74.295 7.948 0.907 1.00 0.00 H new ATOM 0 HG1 THR A 88 73.880 5.660 0.835 1.00 0.00 H new ATOM 0 HG21 THR A 88 72.014 7.130 0.388 1.00 0.00 H new ATOM 0 HG22 THR A 88 72.382 8.617 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 88 72.439 7.038 -1.338 1.00 0.00 H new