USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 601 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 16 THR OG1 : rot -130:sc= -2.86! USER MOD Set 1.2: A 19 ASN : amide:sc= -4.54! C(o=-7.4!,f=-9.4!) USER MOD Single : A 15 THR OG1 : rot 34:sc= 0.00703 USER MOD Single : A 24 ASN : amide:sc= 0.496 K(o=0.5,f=-3.6!) USER MOD Single : A 26 ASN : amide:sc= -1.53 K(o=-1.5,f=-9.1!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 0.243 (180deg=0.0435) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= -0.799 (180deg=-0.909) USER MOD Single : A 39 SER OG : rot 75:sc= -0.957! USER MOD Single : A 44 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0214) USER MOD Single : A 45 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.46) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 141:sc= -1.04! USER MOD Single : A 57 ASN : amide:sc= -0.801 X(o=-0.8,f=-1.3) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -3.84! USER MOD Single : A 67 SER OG : rot -96:sc= -1.76! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 96:sc= -6.44! USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.193) USER MOD Single : A 85 ASN : amide:sc= -3.18! C(o=-3.2!,f=-8.6!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 71.068 9.903 -3.048 1.00 0.00 N ATOM 191 CA THR A 15 70.913 10.157 -1.586 1.00 0.00 C ATOM 192 C THR A 15 72.233 10.656 -0.991 1.00 0.00 C ATOM 193 O THR A 15 72.306 11.012 0.169 1.00 0.00 O ATOM 194 CB THR A 15 70.532 8.804 -0.986 1.00 0.00 C ATOM 195 OG1 THR A 15 69.181 8.507 -1.313 1.00 0.00 O ATOM 196 CG2 THR A 15 70.693 8.853 0.534 1.00 0.00 C ATOM 0 HA THR A 15 70.163 10.920 -1.378 1.00 0.00 H new ATOM 0 HB THR A 15 71.183 8.030 -1.392 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.971 8.873 -2.198 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.421 7.887 0.960 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.730 9.080 0.783 1.00 0.00 H new ATOM 0 HG23 THR A 15 70.043 9.626 0.944 1.00 0.00 H new ATOM 204 N THR A 16 73.276 10.684 -1.774 1.00 0.00 N ATOM 205 CA THR A 16 74.589 11.159 -1.248 1.00 0.00 C ATOM 206 C THR A 16 75.562 11.416 -2.401 1.00 0.00 C ATOM 207 O THR A 16 75.355 10.953 -3.506 1.00 0.00 O ATOM 208 CB THR A 16 75.103 10.024 -0.360 1.00 0.00 C ATOM 209 OG1 THR A 16 74.309 8.862 -0.566 1.00 0.00 O ATOM 210 CG2 THR A 16 75.023 10.443 1.108 1.00 0.00 C ATOM 0 H THR A 16 73.277 10.399 -2.753 1.00 0.00 H new ATOM 0 HA THR A 16 74.493 12.095 -0.697 1.00 0.00 H new ATOM 0 HB THR A 16 76.140 9.806 -0.617 1.00 0.00 H new ATOM 0 HG1 THR A 16 74.020 8.505 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 16 75.390 9.633 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 16 75.634 11.331 1.267 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.988 10.664 1.367 1.00 0.00 H new ATOM 218 N PRO A 17 76.595 12.150 -2.098 1.00 0.00 N ATOM 219 CA PRO A 17 77.623 12.481 -3.114 1.00 0.00 C ATOM 220 C PRO A 17 78.510 11.266 -3.394 1.00 0.00 C ATOM 221 O PRO A 17 78.983 11.071 -4.496 1.00 0.00 O ATOM 222 CB PRO A 17 78.428 13.598 -2.456 1.00 0.00 C ATOM 223 CG PRO A 17 78.241 13.399 -0.984 1.00 0.00 C ATOM 224 CD PRO A 17 76.900 12.738 -0.789 1.00 0.00 C ATOM 0 HA PRO A 17 77.197 12.774 -4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 17 79.481 13.539 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 17 78.071 14.579 -2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 17 79.039 12.778 -0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 17 78.279 14.353 -0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.941 11.977 -0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 17 76.140 13.460 -0.490 1.00 0.00 H new ATOM 232 N PHE A 18 78.743 10.448 -2.403 1.00 0.00 N ATOM 233 CA PHE A 18 79.605 9.250 -2.613 1.00 0.00 C ATOM 234 C PHE A 18 78.759 7.973 -2.597 1.00 0.00 C ATOM 235 O PHE A 18 78.291 7.540 -1.563 1.00 0.00 O ATOM 236 CB PHE A 18 80.585 9.259 -1.439 1.00 0.00 C ATOM 237 CG PHE A 18 81.468 10.480 -1.531 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.493 10.534 -2.484 1.00 0.00 C ATOM 239 CD2 PHE A 18 81.261 11.561 -0.664 1.00 0.00 C ATOM 240 CE1 PHE A 18 83.312 11.667 -2.568 1.00 0.00 C ATOM 241 CE2 PHE A 18 82.080 12.694 -0.749 1.00 0.00 C ATOM 242 CZ PHE A 18 83.105 12.747 -1.701 1.00 0.00 C ATOM 0 H PHE A 18 78.374 10.558 -1.458 1.00 0.00 H new ATOM 0 HA PHE A 18 80.117 9.275 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 18 80.039 9.262 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 18 81.194 8.355 -1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.652 9.702 -3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 18 80.470 11.521 0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 18 84.103 11.708 -3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.921 13.527 -0.080 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.736 13.621 -1.767 1.00 0.00 H new ATOM 252 N ASN A 19 78.563 7.368 -3.735 1.00 0.00 N ATOM 253 CA ASN A 19 77.755 6.119 -3.795 1.00 0.00 C ATOM 254 C ASN A 19 78.416 5.135 -4.757 1.00 0.00 C ATOM 255 O ASN A 19 79.017 5.522 -5.738 1.00 0.00 O ATOM 256 CB ASN A 19 76.385 6.546 -4.328 1.00 0.00 C ATOM 257 CG ASN A 19 75.999 7.918 -3.762 1.00 0.00 C ATOM 258 OD1 ASN A 19 76.689 8.894 -3.982 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.919 8.032 -3.039 1.00 0.00 N ATOM 0 H ASN A 19 78.930 7.687 -4.631 1.00 0.00 H new ATOM 0 HA ASN A 19 77.671 5.629 -2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.407 6.587 -5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.633 5.806 -4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.654 8.940 -2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 19 74.340 7.213 -2.854 1.00 0.00 H new ATOM 266 N LEU A 20 78.314 3.866 -4.488 1.00 0.00 N ATOM 267 CA LEU A 20 78.947 2.870 -5.398 1.00 0.00 C ATOM 268 C LEU A 20 78.378 1.469 -5.156 1.00 0.00 C ATOM 269 O LEU A 20 77.587 1.247 -4.256 1.00 0.00 O ATOM 270 CB LEU A 20 80.441 2.917 -5.061 1.00 0.00 C ATOM 271 CG LEU A 20 80.712 2.128 -3.777 1.00 0.00 C ATOM 272 CD1 LEU A 20 82.183 2.277 -3.387 1.00 0.00 C ATOM 273 CD2 LEU A 20 79.830 2.669 -2.648 1.00 0.00 C ATOM 0 H LEU A 20 77.824 3.475 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 20 78.757 3.099 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 20 81.021 2.499 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.762 3.951 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 20 80.484 1.075 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 20 82.376 1.715 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 20 82.813 1.892 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 20 82.410 3.330 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 20 80.023 2.107 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 20 80.057 3.722 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 20 78.781 2.564 -2.924 1.00 0.00 H new ATOM 285 N PHE A 21 78.783 0.526 -5.961 1.00 0.00 N ATOM 286 CA PHE A 21 78.284 -0.867 -5.805 1.00 0.00 C ATOM 287 C PHE A 21 79.292 -1.701 -5.011 1.00 0.00 C ATOM 288 O PHE A 21 80.485 -1.486 -5.087 1.00 0.00 O ATOM 289 CB PHE A 21 78.155 -1.387 -7.240 1.00 0.00 C ATOM 290 CG PHE A 21 78.016 -2.890 -7.237 1.00 0.00 C ATOM 291 CD1 PHE A 21 79.128 -3.697 -6.971 1.00 0.00 C ATOM 292 CD2 PHE A 21 76.776 -3.478 -7.513 1.00 0.00 C ATOM 293 CE1 PHE A 21 79.001 -5.090 -6.979 1.00 0.00 C ATOM 294 CE2 PHE A 21 76.648 -4.871 -7.519 1.00 0.00 C ATOM 295 CZ PHE A 21 77.761 -5.678 -7.253 1.00 0.00 C ATOM 0 H PHE A 21 79.444 0.663 -6.726 1.00 0.00 H new ATOM 0 HA PHE A 21 77.340 -0.921 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.288 -0.935 -7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.031 -1.096 -7.820 1.00 0.00 H new ATOM 0 HD1 PHE A 21 80.085 -3.244 -6.759 1.00 0.00 H new ATOM 0 HD2 PHE A 21 75.918 -2.856 -7.721 1.00 0.00 H new ATOM 0 HE1 PHE A 21 79.860 -5.712 -6.774 1.00 0.00 H new ATOM 0 HE2 PHE A 21 75.690 -5.324 -7.729 1.00 0.00 H new ATOM 0 HZ PHE A 21 77.663 -6.753 -7.259 1.00 0.00 H new ATOM 305 N ILE A 22 78.822 -2.648 -4.251 1.00 0.00 N ATOM 306 CA ILE A 22 79.753 -3.494 -3.451 1.00 0.00 C ATOM 307 C ILE A 22 79.374 -4.971 -3.598 1.00 0.00 C ATOM 308 O ILE A 22 78.218 -5.310 -3.760 1.00 0.00 O ATOM 309 CB ILE A 22 79.576 -3.018 -2.006 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.431 -1.770 -1.773 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.014 -4.118 -1.037 1.00 0.00 C ATOM 312 CD1 ILE A 22 79.525 -0.541 -1.670 1.00 0.00 C ATOM 0 H ILE A 22 77.833 -2.874 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 22 80.789 -3.404 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 22 78.526 -2.784 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.015 -1.882 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 22 81.140 -1.644 -2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.885 -3.772 -0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.406 -5.008 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.063 -4.358 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 22 80.134 0.347 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 22 78.961 -0.426 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 22 78.834 -0.667 -0.837 1.00 0.00 H new ATOM 324 N GLY A 23 80.337 -5.849 -3.545 1.00 0.00 N ATOM 325 CA GLY A 23 80.031 -7.301 -3.685 1.00 0.00 C ATOM 326 C GLY A 23 80.804 -8.095 -2.631 1.00 0.00 C ATOM 327 O GLY A 23 81.331 -7.542 -1.685 1.00 0.00 O ATOM 0 H GLY A 23 81.323 -5.624 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 23 78.960 -7.470 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.301 -7.645 -4.684 1.00 0.00 H new ATOM 331 N ASN A 24 80.873 -9.390 -2.784 1.00 0.00 N ATOM 332 CA ASN A 24 81.608 -10.222 -1.790 1.00 0.00 C ATOM 333 C ASN A 24 80.880 -10.199 -0.444 1.00 0.00 C ATOM 334 O ASN A 24 81.432 -9.809 0.566 1.00 0.00 O ATOM 335 CB ASN A 24 82.987 -9.573 -1.664 1.00 0.00 C ATOM 336 CG ASN A 24 84.024 -10.643 -1.320 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.853 -11.800 -1.647 1.00 0.00 O ATOM 338 ND2 ASN A 24 85.103 -10.304 -0.667 1.00 0.00 N ATOM 0 H ASN A 24 80.452 -9.908 -3.555 1.00 0.00 H new ATOM 0 HA ASN A 24 81.678 -11.265 -2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.255 -9.079 -2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.970 -8.805 -0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.800 -11.010 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 24 85.248 -9.333 -0.392 1.00 0.00 H new ATOM 345 N LEU A 25 79.642 -10.610 -0.422 1.00 0.00 N ATOM 346 CA LEU A 25 78.879 -10.608 0.858 1.00 0.00 C ATOM 347 C LEU A 25 78.722 -12.034 1.386 1.00 0.00 C ATOM 348 O LEU A 25 78.213 -12.908 0.711 1.00 0.00 O ATOM 349 CB LEU A 25 77.510 -10.014 0.516 1.00 0.00 C ATOM 350 CG LEU A 25 77.681 -8.821 -0.426 1.00 0.00 C ATOM 351 CD1 LEU A 25 76.356 -8.066 -0.537 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.755 -7.881 0.126 1.00 0.00 C ATOM 0 H LEU A 25 79.126 -10.947 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 25 79.388 -10.034 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.882 -10.772 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 25 77.003 -9.699 1.428 1.00 0.00 H new ATOM 0 HG LEU A 25 77.982 -9.178 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 25 76.477 -7.216 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 25 75.589 -8.733 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 25 76.056 -7.710 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.876 -7.032 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 25 78.455 -7.524 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.701 -8.417 0.207 1.00 0.00 H new ATOM 364 N ASN A 26 79.154 -12.271 2.592 1.00 0.00 N ATOM 365 CA ASN A 26 79.033 -13.632 3.182 1.00 0.00 C ATOM 366 C ASN A 26 77.670 -14.239 2.837 1.00 0.00 C ATOM 367 O ASN A 26 76.663 -13.873 3.410 1.00 0.00 O ATOM 368 CB ASN A 26 79.156 -13.405 4.686 1.00 0.00 C ATOM 369 CG ASN A 26 79.357 -14.745 5.396 1.00 0.00 C ATOM 370 OD1 ASN A 26 79.127 -15.791 4.821 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.780 -14.757 6.630 1.00 0.00 N ATOM 0 H ASN A 26 79.589 -11.575 3.198 1.00 0.00 H new ATOM 0 HA ASN A 26 79.787 -14.323 2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.995 -12.742 4.896 1.00 0.00 H new ATOM 0 HB3 ASN A 26 78.259 -12.913 5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.918 -15.645 7.113 1.00 0.00 H new ATOM 0 HD22 ASN A 26 79.973 -13.879 7.112 1.00 0.00 H new ATOM 378 N PRO A 27 77.687 -15.151 1.904 1.00 0.00 N ATOM 379 CA PRO A 27 76.438 -15.821 1.470 1.00 0.00 C ATOM 380 C PRO A 27 75.955 -16.801 2.545 1.00 0.00 C ATOM 381 O PRO A 27 74.824 -17.244 2.531 1.00 0.00 O ATOM 382 CB PRO A 27 76.853 -16.565 0.202 1.00 0.00 C ATOM 383 CG PRO A 27 78.327 -16.777 0.343 1.00 0.00 C ATOM 384 CD PRO A 27 78.861 -15.638 1.173 1.00 0.00 C ATOM 0 HA PRO A 27 75.615 -15.127 1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 27 76.325 -17.514 0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.621 -15.984 -0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.534 -17.734 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.808 -16.800 -0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.644 -15.973 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 27 79.294 -14.857 0.548 1.00 0.00 H new ATOM 392 N ASN A 28 76.804 -17.139 3.477 1.00 0.00 N ATOM 393 CA ASN A 28 76.389 -18.085 4.554 1.00 0.00 C ATOM 394 C ASN A 28 75.544 -17.349 5.594 1.00 0.00 C ATOM 395 O ASN A 28 74.842 -17.950 6.382 1.00 0.00 O ATOM 396 CB ASN A 28 77.697 -18.581 5.173 1.00 0.00 C ATOM 397 CG ASN A 28 78.472 -19.400 4.140 1.00 0.00 C ATOM 398 OD1 ASN A 28 79.371 -18.895 3.498 1.00 0.00 O ATOM 399 ND2 ASN A 28 78.159 -20.654 3.950 1.00 0.00 N ATOM 0 H ASN A 28 77.765 -16.802 3.540 1.00 0.00 H new ATOM 0 HA ASN A 28 75.784 -18.909 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 28 78.298 -17.735 5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 28 77.488 -19.190 6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 28 78.669 -21.209 3.263 1.00 0.00 H new ATOM 0 HD22 ASN A 28 77.404 -21.079 4.489 1.00 0.00 H new ATOM 406 N LYS A 29 75.608 -16.047 5.593 1.00 0.00 N ATOM 407 CA LYS A 29 74.810 -15.254 6.568 1.00 0.00 C ATOM 408 C LYS A 29 73.725 -14.471 5.831 1.00 0.00 C ATOM 409 O LYS A 29 73.314 -14.834 4.746 1.00 0.00 O ATOM 410 CB LYS A 29 75.816 -14.301 7.215 1.00 0.00 C ATOM 411 CG LYS A 29 75.955 -14.635 8.701 1.00 0.00 C ATOM 412 CD LYS A 29 74.839 -13.946 9.487 1.00 0.00 C ATOM 413 CE LYS A 29 75.215 -13.892 10.969 1.00 0.00 C ATOM 414 NZ LYS A 29 74.763 -12.551 11.432 1.00 0.00 N ATOM 0 H LYS A 29 76.182 -15.495 4.955 1.00 0.00 H new ATOM 0 HA LYS A 29 74.309 -15.879 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.784 -14.387 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.486 -13.269 7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.905 -15.714 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.928 -14.308 9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.680 -12.938 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 29 73.902 -14.487 9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.726 -14.689 11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.289 -14.017 11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.570 -12.583 12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.507 -11.849 11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 73.896 -12.282 10.924 1.00 0.00 H new ATOM 428 N SER A 30 73.261 -13.400 6.404 1.00 0.00 N ATOM 429 CA SER A 30 72.206 -12.597 5.726 1.00 0.00 C ATOM 430 C SER A 30 72.829 -11.378 5.049 1.00 0.00 C ATOM 431 O SER A 30 73.790 -10.806 5.531 1.00 0.00 O ATOM 432 CB SER A 30 71.263 -12.152 6.838 1.00 0.00 C ATOM 433 OG SER A 30 71.109 -13.207 7.777 1.00 0.00 O ATOM 0 H SER A 30 73.564 -13.045 7.311 1.00 0.00 H new ATOM 0 HA SER A 30 71.689 -13.169 4.956 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.659 -11.265 7.333 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.294 -11.878 6.420 1.00 0.00 H new ATOM 0 HG SER A 30 70.504 -12.922 8.493 1.00 0.00 H new ATOM 439 N VAL A 31 72.284 -10.962 3.943 1.00 0.00 N ATOM 440 CA VAL A 31 72.854 -9.768 3.261 1.00 0.00 C ATOM 441 C VAL A 31 72.532 -8.530 4.095 1.00 0.00 C ATOM 442 O VAL A 31 73.306 -7.598 4.167 1.00 0.00 O ATOM 443 CB VAL A 31 72.201 -9.676 1.870 1.00 0.00 C ATOM 444 CG1 VAL A 31 73.205 -9.064 0.889 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.804 -11.064 1.361 1.00 0.00 C ATOM 0 H VAL A 31 71.479 -11.390 3.485 1.00 0.00 H new ATOM 0 HA VAL A 31 73.936 -9.841 3.154 1.00 0.00 H new ATOM 0 HB VAL A 31 71.306 -9.058 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 31 72.752 -8.995 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 31 73.486 -8.068 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 31 74.093 -9.694 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 31 71.345 -10.973 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.691 -11.693 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.093 -11.516 2.053 1.00 0.00 H new ATOM 455 N ALA A 32 71.401 -8.528 4.746 1.00 0.00 N ATOM 456 CA ALA A 32 71.038 -7.363 5.599 1.00 0.00 C ATOM 457 C ALA A 32 72.059 -7.237 6.727 1.00 0.00 C ATOM 458 O ALA A 32 72.478 -6.154 7.088 1.00 0.00 O ATOM 459 CB ALA A 32 69.652 -7.687 6.155 1.00 0.00 C ATOM 0 H ALA A 32 70.714 -9.282 4.724 1.00 0.00 H new ATOM 0 HA ALA A 32 71.032 -6.421 5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.317 -6.871 6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.950 -7.813 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.699 -8.608 6.736 1.00 0.00 H new ATOM 465 N GLU A 33 72.479 -8.346 7.271 1.00 0.00 N ATOM 466 CA GLU A 33 73.493 -8.304 8.360 1.00 0.00 C ATOM 467 C GLU A 33 74.812 -7.791 7.788 1.00 0.00 C ATOM 468 O GLU A 33 75.565 -7.104 8.450 1.00 0.00 O ATOM 469 CB GLU A 33 73.637 -9.753 8.832 1.00 0.00 C ATOM 470 CG GLU A 33 72.291 -10.265 9.345 1.00 0.00 C ATOM 471 CD GLU A 33 71.999 -9.654 10.717 1.00 0.00 C ATOM 472 OE1 GLU A 33 72.470 -8.557 10.966 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.310 -10.293 11.494 1.00 0.00 O ATOM 0 H GLU A 33 72.163 -9.279 7.008 1.00 0.00 H new ATOM 0 HA GLU A 33 73.208 -7.647 9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.986 -10.380 8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.386 -9.815 9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.499 -10.003 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.307 -11.353 9.416 1.00 0.00 H new ATOM 480 N LEU A 34 75.089 -8.111 6.553 1.00 0.00 N ATOM 481 CA LEU A 34 76.349 -7.631 5.926 1.00 0.00 C ATOM 482 C LEU A 34 76.314 -6.109 5.832 1.00 0.00 C ATOM 483 O LEU A 34 77.322 -5.442 5.960 1.00 0.00 O ATOM 484 CB LEU A 34 76.365 -8.260 4.534 1.00 0.00 C ATOM 485 CG LEU A 34 77.357 -9.423 4.513 1.00 0.00 C ATOM 486 CD1 LEU A 34 76.687 -10.653 3.897 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.575 -9.033 3.677 1.00 0.00 C ATOM 0 H LEU A 34 74.496 -8.684 5.953 1.00 0.00 H new ATOM 0 HA LEU A 34 77.238 -7.903 6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.368 -8.613 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.646 -7.515 3.790 1.00 0.00 H new ATOM 0 HG LEU A 34 77.672 -9.654 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 34 77.394 -11.483 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 34 75.816 -10.929 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 34 76.373 -10.425 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 34 79.285 -9.860 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.260 -8.804 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 34 79.051 -8.156 4.115 1.00 0.00 H new ATOM 499 N LYS A 35 75.152 -5.554 5.622 1.00 0.00 N ATOM 500 CA LYS A 35 75.045 -4.074 5.535 1.00 0.00 C ATOM 501 C LYS A 35 75.375 -3.467 6.899 1.00 0.00 C ATOM 502 O LYS A 35 76.241 -2.624 7.025 1.00 0.00 O ATOM 503 CB LYS A 35 73.589 -3.796 5.155 1.00 0.00 C ATOM 504 CG LYS A 35 73.254 -4.527 3.853 1.00 0.00 C ATOM 505 CD LYS A 35 73.932 -3.820 2.680 1.00 0.00 C ATOM 506 CE LYS A 35 74.644 -4.853 1.802 1.00 0.00 C ATOM 507 NZ LYS A 35 75.905 -4.188 1.372 1.00 0.00 N ATOM 0 H LYS A 35 74.275 -6.062 5.507 1.00 0.00 H new ATOM 0 HA LYS A 35 75.732 -3.642 4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.924 -4.128 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.432 -2.724 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 35 73.589 -5.563 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 35 72.175 -4.548 3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 35 73.192 -3.276 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 35 74.648 -3.086 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 35 74.850 -5.768 2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 35 74.032 -5.131 0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 76.488 -4.862 0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 75.679 -3.371 0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 76.430 -3.865 2.210 1.00 0.00 H new ATOM 521 N VAL A 36 74.703 -3.911 7.924 1.00 0.00 N ATOM 522 CA VAL A 36 74.986 -3.387 9.289 1.00 0.00 C ATOM 523 C VAL A 36 76.428 -3.692 9.657 1.00 0.00 C ATOM 524 O VAL A 36 77.108 -2.875 10.224 1.00 0.00 O ATOM 525 CB VAL A 36 74.038 -4.145 10.208 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.019 -3.482 11.586 1.00 0.00 C ATOM 527 CG2 VAL A 36 72.628 -4.134 9.613 1.00 0.00 C ATOM 0 H VAL A 36 73.968 -4.616 7.875 1.00 0.00 H new ATOM 0 HA VAL A 36 74.846 -2.308 9.362 1.00 0.00 H new ATOM 0 HB VAL A 36 74.379 -5.175 10.308 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.340 -4.026 12.242 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.023 -3.496 12.010 1.00 0.00 H new ATOM 0 HG13 VAL A 36 73.681 -2.450 11.489 1.00 0.00 H new ATOM 0 HG21 VAL A 36 71.951 -4.677 10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.285 -3.105 9.509 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.643 -4.613 8.634 1.00 0.00 H new ATOM 537 N ALA A 37 76.908 -4.859 9.332 1.00 0.00 N ATOM 538 CA ALA A 37 78.319 -5.183 9.667 1.00 0.00 C ATOM 539 C ALA A 37 79.237 -4.209 8.938 1.00 0.00 C ATOM 540 O ALA A 37 80.307 -3.881 9.403 1.00 0.00 O ATOM 541 CB ALA A 37 78.537 -6.614 9.175 1.00 0.00 C ATOM 0 H ALA A 37 76.389 -5.595 8.853 1.00 0.00 H new ATOM 0 HA ALA A 37 78.532 -5.101 10.733 1.00 0.00 H new ATOM 0 HB1 ALA A 37 79.561 -6.921 9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 37 77.843 -7.283 9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.363 -6.660 8.100 1.00 0.00 H new ATOM 547 N ILE A 38 78.810 -3.728 7.807 1.00 0.00 N ATOM 548 CA ILE A 38 79.641 -2.755 7.053 1.00 0.00 C ATOM 549 C ILE A 38 79.359 -1.346 7.575 1.00 0.00 C ATOM 550 O ILE A 38 80.220 -0.486 7.573 1.00 0.00 O ATOM 551 CB ILE A 38 79.198 -2.894 5.597 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.779 -4.183 5.010 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.704 -1.697 4.792 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.810 -4.754 3.973 1.00 0.00 C ATOM 0 H ILE A 38 77.919 -3.968 7.372 1.00 0.00 H new ATOM 0 HA ILE A 38 80.710 -2.937 7.160 1.00 0.00 H new ATOM 0 HB ILE A 38 78.110 -2.929 5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.745 -3.981 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.950 -4.911 5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.388 -1.797 3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.293 -0.778 5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.792 -1.662 4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 38 79.224 -5.672 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.854 -4.971 4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.661 -4.027 3.175 1.00 0.00 H new ATOM 566 N SER A 39 78.161 -1.108 8.043 1.00 0.00 N ATOM 567 CA SER A 39 77.836 0.242 8.581 1.00 0.00 C ATOM 568 C SER A 39 78.410 0.375 9.990 1.00 0.00 C ATOM 569 O SER A 39 78.710 1.456 10.460 1.00 0.00 O ATOM 570 CB SER A 39 76.308 0.302 8.612 1.00 0.00 C ATOM 571 OG SER A 39 75.831 -0.442 9.725 1.00 0.00 O ATOM 0 H SER A 39 77.400 -1.786 8.075 1.00 0.00 H new ATOM 0 HA SER A 39 78.255 1.049 7.980 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.975 1.337 8.682 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.898 -0.103 7.687 1.00 0.00 H new ATOM 0 HG SER A 39 75.987 0.066 10.549 1.00 0.00 H new ATOM 577 N GLU A 40 78.579 -0.729 10.661 1.00 0.00 N ATOM 578 CA GLU A 40 79.144 -0.692 12.032 1.00 0.00 C ATOM 579 C GLU A 40 80.664 -0.667 11.945 1.00 0.00 C ATOM 580 O GLU A 40 81.331 0.042 12.673 1.00 0.00 O ATOM 581 CB GLU A 40 78.653 -1.976 12.685 1.00 0.00 C ATOM 582 CG GLU A 40 77.758 -1.639 13.880 1.00 0.00 C ATOM 583 CD GLU A 40 76.742 -0.569 13.475 1.00 0.00 C ATOM 584 OE1 GLU A 40 76.369 -0.543 12.313 1.00 0.00 O ATOM 585 OE2 GLU A 40 76.355 0.207 14.333 1.00 0.00 O ATOM 0 H GLU A 40 78.348 -1.660 10.314 1.00 0.00 H new ATOM 0 HA GLU A 40 78.840 0.186 12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.099 -2.574 11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 40 79.502 -2.576 13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 40 77.240 -2.535 14.224 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.365 -1.282 14.712 1.00 0.00 H new ATOM 592 N LEU A 41 81.214 -1.420 11.037 1.00 0.00 N ATOM 593 CA LEU A 41 82.690 -1.422 10.879 1.00 0.00 C ATOM 594 C LEU A 41 83.134 -0.025 10.472 1.00 0.00 C ATOM 595 O LEU A 41 84.160 0.466 10.898 1.00 0.00 O ATOM 596 CB LEU A 41 82.983 -2.431 9.765 1.00 0.00 C ATOM 597 CG LEU A 41 84.356 -3.063 9.994 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.188 -4.548 10.321 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.204 -2.915 8.728 1.00 0.00 C ATOM 0 H LEU A 41 80.706 -2.033 10.399 1.00 0.00 H new ATOM 0 HA LEU A 41 83.217 -1.691 11.795 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.214 -3.203 9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.957 -1.935 8.795 1.00 0.00 H new ATOM 0 HG LEU A 41 84.851 -2.561 10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.167 -4.998 10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 41 83.584 -4.656 11.222 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.692 -5.050 9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.183 -3.366 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.708 -3.416 7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.326 -1.858 8.493 1.00 0.00 H new ATOM 611 N PHE A 42 82.349 0.629 9.665 1.00 0.00 N ATOM 612 CA PHE A 42 82.696 1.999 9.245 1.00 0.00 C ATOM 613 C PHE A 42 82.308 2.966 10.360 1.00 0.00 C ATOM 614 O PHE A 42 82.863 4.036 10.498 1.00 0.00 O ATOM 615 CB PHE A 42 81.845 2.236 8.005 1.00 0.00 C ATOM 616 CG PHE A 42 82.251 1.285 6.897 1.00 0.00 C ATOM 617 CD1 PHE A 42 83.276 0.347 7.102 1.00 0.00 C ATOM 618 CD2 PHE A 42 81.596 1.339 5.661 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.640 -0.529 6.073 1.00 0.00 C ATOM 620 CE2 PHE A 42 81.960 0.461 4.634 1.00 0.00 C ATOM 621 CZ PHE A 42 82.982 -0.473 4.840 1.00 0.00 C ATOM 0 H PHE A 42 81.478 0.265 9.280 1.00 0.00 H new ATOM 0 HA PHE A 42 83.757 2.141 9.041 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.792 2.095 8.247 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.960 3.267 7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 42 83.784 0.302 8.054 1.00 0.00 H new ATOM 0 HD2 PHE A 42 80.808 2.060 5.500 1.00 0.00 H new ATOM 0 HE1 PHE A 42 84.430 -1.249 6.231 1.00 0.00 H new ATOM 0 HE2 PHE A 42 81.452 0.504 3.682 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.262 -1.150 4.047 1.00 0.00 H new ATOM 631 N ALA A 43 81.355 2.580 11.165 1.00 0.00 N ATOM 632 CA ALA A 43 80.925 3.459 12.289 1.00 0.00 C ATOM 633 C ALA A 43 82.042 3.540 13.329 1.00 0.00 C ATOM 634 O ALA A 43 82.320 4.587 13.880 1.00 0.00 O ATOM 635 CB ALA A 43 79.689 2.777 12.877 1.00 0.00 C ATOM 0 H ALA A 43 80.856 1.693 11.092 1.00 0.00 H new ATOM 0 HA ALA A 43 80.706 4.477 11.967 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.312 3.366 13.713 1.00 0.00 H new ATOM 0 HB2 ALA A 43 78.918 2.699 12.111 1.00 0.00 H new ATOM 0 HB3 ALA A 43 79.956 1.780 13.227 1.00 0.00 H new ATOM 641 N LYS A 44 82.691 2.439 13.592 1.00 0.00 N ATOM 642 CA LYS A 44 83.802 2.444 14.584 1.00 0.00 C ATOM 643 C LYS A 44 85.068 2.999 13.930 1.00 0.00 C ATOM 644 O LYS A 44 86.003 3.396 14.596 1.00 0.00 O ATOM 645 CB LYS A 44 83.992 0.977 14.972 1.00 0.00 C ATOM 646 CG LYS A 44 83.441 0.746 16.381 1.00 0.00 C ATOM 647 CD LYS A 44 82.117 -0.018 16.293 1.00 0.00 C ATOM 648 CE LYS A 44 82.067 -1.082 17.392 1.00 0.00 C ATOM 649 NZ LYS A 44 81.752 -0.331 18.638 1.00 0.00 N ATOM 0 H LYS A 44 82.499 1.534 13.161 1.00 0.00 H new ATOM 0 HA LYS A 44 83.588 3.065 15.454 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.479 0.332 14.259 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.049 0.714 14.936 1.00 0.00 H new ATOM 0 HG2 LYS A 44 84.160 0.182 16.976 1.00 0.00 H new ATOM 0 HG3 LYS A 44 83.289 1.701 16.885 1.00 0.00 H new ATOM 0 HD2 LYS A 44 81.279 0.671 16.401 1.00 0.00 H new ATOM 0 HD3 LYS A 44 82.020 -0.487 15.314 1.00 0.00 H new ATOM 0 HE2 LYS A 44 81.306 -1.833 17.180 1.00 0.00 H new ATOM 0 HE3 LYS A 44 83.018 -1.607 17.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 82.437 -0.584 19.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 81.806 0.691 18.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 80.792 -0.574 18.956 1.00 0.00 H new ATOM 663 N ASN A 45 85.098 3.029 12.625 1.00 0.00 N ATOM 664 CA ASN A 45 86.294 3.558 11.915 1.00 0.00 C ATOM 665 C ASN A 45 86.198 5.081 11.790 1.00 0.00 C ATOM 666 O ASN A 45 87.132 5.732 11.366 1.00 0.00 O ATOM 667 CB ASN A 45 86.244 2.903 10.537 1.00 0.00 C ATOM 668 CG ASN A 45 87.105 1.641 10.540 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.140 1.595 9.904 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.720 0.606 11.235 1.00 0.00 N ATOM 0 H ASN A 45 84.342 2.708 12.020 1.00 0.00 H new ATOM 0 HA ASN A 45 87.224 3.341 12.440 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.215 2.653 10.279 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.603 3.599 9.779 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.287 -0.242 11.245 1.00 0.00 H new ATOM 0 HD22 ASN A 45 85.852 0.644 11.769 1.00 0.00 H new ATOM 677 N ASP A 46 85.060 5.639 12.139 1.00 0.00 N ATOM 678 CA ASP A 46 84.849 7.119 12.043 1.00 0.00 C ATOM 679 C ASP A 46 84.421 7.463 10.626 1.00 0.00 C ATOM 680 O ASP A 46 84.682 8.535 10.118 1.00 0.00 O ATOM 681 CB ASP A 46 86.182 7.788 12.399 1.00 0.00 C ATOM 682 CG ASP A 46 85.917 9.183 12.968 1.00 0.00 C ATOM 683 OD1 ASP A 46 84.918 9.344 13.649 1.00 0.00 O ATOM 684 OD2 ASP A 46 86.718 10.067 12.714 1.00 0.00 O ATOM 0 H ASP A 46 84.256 5.120 12.492 1.00 0.00 H new ATOM 0 HA ASP A 46 84.071 7.466 12.723 1.00 0.00 H new ATOM 0 HB2 ASP A 46 86.722 7.183 13.128 1.00 0.00 H new ATOM 0 HB3 ASP A 46 86.813 7.859 11.513 1.00 0.00 H new ATOM 689 N LEU A 47 83.750 6.548 9.994 1.00 0.00 N ATOM 690 CA LEU A 47 83.273 6.783 8.610 1.00 0.00 C ATOM 691 C LEU A 47 81.950 7.550 8.648 1.00 0.00 C ATOM 692 O LEU A 47 81.811 8.535 9.345 1.00 0.00 O ATOM 693 CB LEU A 47 83.086 5.381 8.025 1.00 0.00 C ATOM 694 CG LEU A 47 83.251 5.434 6.506 1.00 0.00 C ATOM 695 CD1 LEU A 47 84.513 4.671 6.102 1.00 0.00 C ATOM 696 CD2 LEU A 47 82.034 4.794 5.838 1.00 0.00 C ATOM 0 H LEU A 47 83.509 5.636 10.383 1.00 0.00 H new ATOM 0 HA LEU A 47 83.964 7.378 8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.815 4.695 8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.098 4.998 8.281 1.00 0.00 H new ATOM 0 HG LEU A 47 83.337 6.473 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 47 84.630 4.709 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 47 85.382 5.127 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.428 3.632 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 47 82.152 4.832 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 47 81.948 3.756 6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 47 81.134 5.338 6.124 1.00 0.00 H new ATOM 708 N ALA A 48 80.982 7.104 7.909 1.00 0.00 N ATOM 709 CA ALA A 48 79.663 7.799 7.896 1.00 0.00 C ATOM 710 C ALA A 48 78.752 7.161 6.852 1.00 0.00 C ATOM 711 O ALA A 48 78.269 7.810 5.946 1.00 0.00 O ATOM 712 CB ALA A 48 79.971 9.249 7.526 1.00 0.00 C ATOM 0 H ALA A 48 81.043 6.283 7.307 1.00 0.00 H new ATOM 0 HA ALA A 48 79.151 7.731 8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.044 9.822 7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.641 9.680 8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.448 9.281 6.546 1.00 0.00 H new ATOM 718 N VAL A 49 78.522 5.890 6.978 1.00 0.00 N ATOM 719 CA VAL A 49 77.655 5.183 6.014 1.00 0.00 C ATOM 720 C VAL A 49 76.284 5.845 5.945 1.00 0.00 C ATOM 721 O VAL A 49 75.547 5.897 6.909 1.00 0.00 O ATOM 722 CB VAL A 49 77.546 3.766 6.563 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.869 3.030 6.353 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.226 3.823 8.059 1.00 0.00 C ATOM 0 H VAL A 49 78.905 5.305 7.720 1.00 0.00 H new ATOM 0 HA VAL A 49 78.057 5.201 5.001 1.00 0.00 H new ATOM 0 HB VAL A 49 76.751 3.235 6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.788 2.017 6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.097 2.988 5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.667 3.559 6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.148 2.810 8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.021 4.355 8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.281 4.345 8.209 1.00 0.00 H new ATOM 734 N VAL A 50 75.953 6.351 4.801 1.00 0.00 N ATOM 735 CA VAL A 50 74.633 7.026 4.619 1.00 0.00 C ATOM 736 C VAL A 50 73.603 6.014 4.113 1.00 0.00 C ATOM 737 O VAL A 50 72.482 5.968 4.579 1.00 0.00 O ATOM 738 CB VAL A 50 74.862 8.126 3.568 1.00 0.00 C ATOM 739 CG1 VAL A 50 74.009 9.349 3.905 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.332 8.546 3.551 1.00 0.00 C ATOM 0 H VAL A 50 76.542 6.330 3.969 1.00 0.00 H new ATOM 0 HA VAL A 50 74.257 7.443 5.553 1.00 0.00 H new ATOM 0 HB VAL A 50 74.583 7.732 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 50 74.175 10.125 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.956 9.068 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.287 9.727 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.479 9.325 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.613 8.928 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.954 7.685 3.306 1.00 0.00 H new ATOM 750 N ASP A 51 73.975 5.201 3.160 1.00 0.00 N ATOM 751 CA ASP A 51 73.011 4.194 2.627 1.00 0.00 C ATOM 752 C ASP A 51 73.697 2.835 2.442 1.00 0.00 C ATOM 753 O ASP A 51 74.861 2.753 2.107 1.00 0.00 O ATOM 754 CB ASP A 51 72.562 4.754 1.278 1.00 0.00 C ATOM 755 CG ASP A 51 71.433 3.887 0.715 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.466 3.674 1.427 1.00 0.00 O ATOM 757 OD2 ASP A 51 71.557 3.450 -0.417 1.00 0.00 O ATOM 0 H ASP A 51 74.900 5.190 2.729 1.00 0.00 H new ATOM 0 HA ASP A 51 72.173 4.031 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.221 5.783 1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 51 73.401 4.773 0.583 1.00 0.00 H new ATOM 762 N VAL A 52 72.975 1.769 2.657 1.00 0.00 N ATOM 763 CA VAL A 52 73.564 0.405 2.493 1.00 0.00 C ATOM 764 C VAL A 52 72.446 -0.588 2.161 1.00 0.00 C ATOM 765 O VAL A 52 71.516 -0.759 2.925 1.00 0.00 O ATOM 766 CB VAL A 52 74.203 0.051 3.845 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.334 -0.954 3.624 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.776 1.307 4.511 1.00 0.00 C ATOM 0 H VAL A 52 71.995 1.783 2.941 1.00 0.00 H new ATOM 0 HA VAL A 52 74.300 0.370 1.690 1.00 0.00 H new ATOM 0 HB VAL A 52 73.438 -0.379 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.789 -1.206 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 52 74.933 -1.857 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 52 76.087 -0.516 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.225 1.039 5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 52 75.535 1.747 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 52 73.976 2.029 4.675 1.00 0.00 H new ATOM 778 N ARG A 53 72.513 -1.238 1.030 1.00 0.00 N ATOM 779 CA ARG A 53 71.430 -2.204 0.673 1.00 0.00 C ATOM 780 C ARG A 53 72.005 -3.475 0.045 1.00 0.00 C ATOM 781 O ARG A 53 73.116 -3.497 -0.440 1.00 0.00 O ATOM 782 CB ARG A 53 70.556 -1.458 -0.336 1.00 0.00 C ATOM 783 CG ARG A 53 69.212 -2.177 -0.480 1.00 0.00 C ATOM 784 CD ARG A 53 68.085 -1.253 -0.012 1.00 0.00 C ATOM 785 NE ARG A 53 67.457 -0.748 -1.264 1.00 0.00 N ATOM 786 CZ ARG A 53 67.034 0.484 -1.330 1.00 0.00 C ATOM 787 NH1 ARG A 53 67.854 1.437 -1.681 1.00 0.00 N ATOM 788 NH2 ARG A 53 65.791 0.764 -1.045 1.00 0.00 N ATOM 0 H ARG A 53 73.262 -1.145 0.343 1.00 0.00 H new ATOM 0 HA ARG A 53 70.871 -2.525 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 53 70.397 -0.431 -0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.059 -1.408 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.052 -2.466 -1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.213 -3.094 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 53 67.363 -1.791 0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 53 68.472 -0.434 0.594 1.00 0.00 H new ATOM 0 HE ARG A 53 67.358 -1.365 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.825 1.218 -1.904 1.00 0.00 H new ATOM 0 HH12 ARG A 53 67.524 2.401 -1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 53 65.150 0.019 -0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.461 1.728 -1.097 1.00 0.00 H new ATOM 802 N THR A 54 71.245 -4.536 0.057 1.00 0.00 N ATOM 803 CA THR A 54 71.720 -5.811 -0.530 1.00 0.00 C ATOM 804 C THR A 54 71.289 -5.906 -1.996 1.00 0.00 C ATOM 805 O THR A 54 70.291 -5.338 -2.396 1.00 0.00 O ATOM 806 CB THR A 54 71.025 -6.882 0.305 1.00 0.00 C ATOM 807 OG1 THR A 54 69.629 -6.848 0.046 1.00 0.00 O ATOM 808 CG2 THR A 54 71.276 -6.620 1.792 1.00 0.00 C ATOM 0 H THR A 54 70.306 -4.569 0.454 1.00 0.00 H new ATOM 0 HA THR A 54 72.805 -5.910 -0.516 1.00 0.00 H new ATOM 0 HB THR A 54 71.422 -7.862 0.041 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.180 -7.536 0.580 1.00 0.00 H new ATOM 0 HG21 THR A 54 70.778 -7.387 2.386 1.00 0.00 H new ATOM 0 HG22 THR A 54 72.347 -6.646 1.990 1.00 0.00 H new ATOM 0 HG23 THR A 54 70.881 -5.640 2.060 1.00 0.00 H new ATOM 816 N GLY A 55 72.029 -6.617 -2.798 1.00 0.00 N ATOM 817 CA GLY A 55 71.659 -6.744 -4.237 1.00 0.00 C ATOM 818 C GLY A 55 71.568 -8.224 -4.618 1.00 0.00 C ATOM 819 O GLY A 55 72.505 -8.978 -4.446 1.00 0.00 O ATOM 0 H GLY A 55 72.874 -7.116 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 55 70.704 -6.252 -4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 55 72.401 -6.243 -4.859 1.00 0.00 H new ATOM 823 N THR A 56 70.446 -8.642 -5.140 1.00 0.00 N ATOM 824 CA THR A 56 70.290 -10.072 -5.540 1.00 0.00 C ATOM 825 C THR A 56 70.279 -10.976 -4.304 1.00 0.00 C ATOM 826 O THR A 56 70.003 -10.539 -3.204 1.00 0.00 O ATOM 827 CB THR A 56 71.505 -10.376 -6.416 1.00 0.00 C ATOM 828 OG1 THR A 56 71.883 -9.202 -7.120 1.00 0.00 O ATOM 829 CG2 THR A 56 71.155 -11.480 -7.414 1.00 0.00 C ATOM 0 H THR A 56 69.629 -8.054 -5.307 1.00 0.00 H new ATOM 0 HA THR A 56 69.353 -10.249 -6.067 1.00 0.00 H new ATOM 0 HB THR A 56 72.332 -10.707 -5.788 1.00 0.00 H new ATOM 0 HG1 THR A 56 72.861 -9.141 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 56 72.023 -11.695 -8.038 1.00 0.00 H new ATOM 0 HG22 THR A 56 70.864 -12.381 -6.873 1.00 0.00 H new ATOM 0 HG23 THR A 56 70.328 -11.152 -8.044 1.00 0.00 H new ATOM 837 N ASN A 57 70.573 -12.237 -4.480 1.00 0.00 N ATOM 838 CA ASN A 57 70.574 -13.172 -3.319 1.00 0.00 C ATOM 839 C ASN A 57 71.900 -13.080 -2.559 1.00 0.00 C ATOM 840 O ASN A 57 72.734 -13.960 -2.636 1.00 0.00 O ATOM 841 CB ASN A 57 70.406 -14.563 -3.932 1.00 0.00 C ATOM 842 CG ASN A 57 70.752 -15.627 -2.890 1.00 0.00 C ATOM 843 OD1 ASN A 57 71.760 -16.296 -2.999 1.00 0.00 O ATOM 844 ND2 ASN A 57 69.951 -15.814 -1.876 1.00 0.00 N ATOM 0 H ASN A 57 70.812 -12.659 -5.377 1.00 0.00 H new ATOM 0 HA ASN A 57 69.784 -12.940 -2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 57 69.381 -14.698 -4.278 1.00 0.00 H new ATOM 0 HB3 ASN A 57 71.053 -14.668 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 57 70.172 -16.522 -1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 57 69.105 -15.252 -1.784 1.00 0.00 H new ATOM 851 N ARG A 58 72.097 -12.023 -1.820 1.00 0.00 N ATOM 852 CA ARG A 58 73.367 -11.876 -1.047 1.00 0.00 C ATOM 853 C ARG A 58 74.563 -11.860 -1.999 1.00 0.00 C ATOM 854 O ARG A 58 75.696 -12.015 -1.591 1.00 0.00 O ATOM 855 CB ARG A 58 73.453 -13.099 -0.120 1.00 0.00 C ATOM 856 CG ARG A 58 72.058 -13.661 0.186 1.00 0.00 C ATOM 857 CD ARG A 58 72.001 -14.118 1.645 1.00 0.00 C ATOM 858 NE ARG A 58 72.456 -15.537 1.620 1.00 0.00 N ATOM 859 CZ ARG A 58 71.808 -16.443 2.300 1.00 0.00 C ATOM 860 NH1 ARG A 58 72.046 -16.598 3.573 1.00 0.00 N ATOM 861 NH2 ARG A 58 70.922 -17.194 1.706 1.00 0.00 N ATOM 0 H ARG A 58 71.435 -11.254 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 58 73.379 -10.945 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 58 74.065 -13.871 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 58 73.948 -12.820 0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 58 71.299 -12.900 0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 58 71.838 -14.498 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 58 72.647 -13.507 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 58 70.991 -14.034 2.046 1.00 0.00 H new ATOM 0 HE ARG A 58 73.274 -15.800 1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 58 72.739 -16.011 4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 58 71.539 -17.306 4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 58 70.736 -17.073 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 58 70.415 -17.902 2.237 1.00 0.00 H new ATOM 875 N LYS A 59 74.322 -11.678 -3.267 1.00 0.00 N ATOM 876 CA LYS A 59 75.450 -11.658 -4.239 1.00 0.00 C ATOM 877 C LYS A 59 76.300 -10.402 -4.037 1.00 0.00 C ATOM 878 O LYS A 59 77.508 -10.469 -3.916 1.00 0.00 O ATOM 879 CB LYS A 59 74.789 -11.646 -5.617 1.00 0.00 C ATOM 880 CG LYS A 59 75.679 -12.385 -6.618 1.00 0.00 C ATOM 881 CD LYS A 59 74.833 -12.852 -7.804 1.00 0.00 C ATOM 882 CE LYS A 59 75.247 -12.083 -9.061 1.00 0.00 C ATOM 883 NZ LYS A 59 76.420 -12.826 -9.597 1.00 0.00 N ATOM 0 H LYS A 59 73.396 -11.543 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 59 76.115 -12.513 -4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 59 73.809 -12.121 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.629 -10.619 -5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.478 -11.729 -6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.154 -13.240 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 59 74.966 -13.923 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 59 73.775 -12.689 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 59 74.436 -12.049 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 59 75.507 -11.051 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 76.762 -12.359 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 77.179 -12.836 -8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 76.140 -13.803 -9.819 1.00 0.00 H new ATOM 897 N PHE A 60 75.678 -9.258 -3.995 1.00 0.00 N ATOM 898 CA PHE A 60 76.448 -7.997 -3.798 1.00 0.00 C ATOM 899 C PHE A 60 75.535 -6.915 -3.220 1.00 0.00 C ATOM 900 O PHE A 60 74.340 -6.925 -3.428 1.00 0.00 O ATOM 901 CB PHE A 60 76.937 -7.603 -5.191 1.00 0.00 C ATOM 902 CG PHE A 60 75.772 -7.568 -6.151 1.00 0.00 C ATOM 903 CD1 PHE A 60 74.769 -6.602 -6.001 1.00 0.00 C ATOM 904 CD2 PHE A 60 75.696 -8.498 -7.194 1.00 0.00 C ATOM 905 CE1 PHE A 60 73.692 -6.566 -6.895 1.00 0.00 C ATOM 906 CE2 PHE A 60 74.619 -8.463 -8.087 1.00 0.00 C ATOM 907 CZ PHE A 60 73.617 -7.497 -7.937 1.00 0.00 C ATOM 0 H PHE A 60 74.669 -9.140 -4.089 1.00 0.00 H new ATOM 0 HA PHE A 60 77.278 -8.122 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 60 77.419 -6.626 -5.154 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.685 -8.315 -5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 60 74.826 -5.885 -5.196 1.00 0.00 H new ATOM 0 HD2 PHE A 60 76.469 -9.243 -7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 60 72.919 -5.820 -6.780 1.00 0.00 H new ATOM 0 HE2 PHE A 60 74.561 -9.181 -8.892 1.00 0.00 H new ATOM 0 HZ PHE A 60 72.786 -7.470 -8.626 1.00 0.00 H new ATOM 917 N GLY A 61 76.086 -5.987 -2.490 1.00 0.00 N ATOM 918 CA GLY A 61 75.240 -4.912 -1.894 1.00 0.00 C ATOM 919 C GLY A 61 75.759 -3.541 -2.321 1.00 0.00 C ATOM 920 O GLY A 61 76.842 -3.417 -2.853 1.00 0.00 O ATOM 0 H GLY A 61 77.082 -5.925 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.205 -5.034 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.250 -4.991 -0.807 1.00 0.00 H new ATOM 924 N TYR A 62 74.995 -2.510 -2.086 1.00 0.00 N ATOM 925 CA TYR A 62 75.448 -1.140 -2.471 1.00 0.00 C ATOM 926 C TYR A 62 75.528 -0.261 -1.236 1.00 0.00 C ATOM 927 O TYR A 62 74.881 -0.512 -0.238 1.00 0.00 O ATOM 928 CB TYR A 62 74.391 -0.621 -3.447 1.00 0.00 C ATOM 929 CG TYR A 62 74.885 0.651 -4.094 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.964 1.833 -3.348 1.00 0.00 C ATOM 931 CD2 TYR A 62 75.264 0.647 -5.443 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.421 3.011 -3.949 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.721 1.826 -6.044 1.00 0.00 C ATOM 934 CZ TYR A 62 75.800 3.008 -5.298 1.00 0.00 C ATOM 935 OH TYR A 62 76.251 4.170 -5.890 1.00 0.00 O ATOM 0 H TYR A 62 74.077 -2.555 -1.644 1.00 0.00 H new ATOM 0 HA TYR A 62 76.438 -1.141 -2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 62 74.184 -1.372 -4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.455 -0.434 -2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.672 1.836 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.204 -0.265 -6.019 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.482 3.923 -3.373 1.00 0.00 H new ATOM 0 HE2 TYR A 62 76.013 1.824 -7.084 1.00 0.00 H new ATOM 0 HH TYR A 62 76.473 3.994 -6.828 1.00 0.00 H new ATOM 945 N VAL A 63 76.338 0.757 -1.279 1.00 0.00 N ATOM 946 CA VAL A 63 76.473 1.627 -0.084 1.00 0.00 C ATOM 947 C VAL A 63 76.840 3.055 -0.492 1.00 0.00 C ATOM 948 O VAL A 63 77.592 3.276 -1.422 1.00 0.00 O ATOM 949 CB VAL A 63 77.605 0.993 0.725 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.557 1.513 2.153 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.456 -0.532 0.747 1.00 0.00 C ATOM 0 H VAL A 63 76.907 1.022 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 63 75.545 1.697 0.483 1.00 0.00 H new ATOM 0 HB VAL A 63 78.556 1.254 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.363 1.062 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.675 2.597 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.599 1.253 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.269 -0.969 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.502 -0.798 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.490 -0.916 -0.273 1.00 0.00 H new ATOM 961 N ASP A 64 76.318 4.027 0.204 1.00 0.00 N ATOM 962 CA ASP A 64 76.632 5.441 -0.126 1.00 0.00 C ATOM 963 C ASP A 64 77.340 6.102 1.058 1.00 0.00 C ATOM 964 O ASP A 64 77.038 5.827 2.204 1.00 0.00 O ATOM 965 CB ASP A 64 75.276 6.094 -0.371 1.00 0.00 C ATOM 966 CG ASP A 64 74.491 5.277 -1.400 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.323 4.090 -1.180 1.00 0.00 O ATOM 968 OD2 ASP A 64 74.071 5.854 -2.389 1.00 0.00 O ATOM 0 H ASP A 64 75.683 3.899 0.992 1.00 0.00 H new ATOM 0 HA ASP A 64 77.291 5.536 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.717 6.156 0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.412 7.115 -0.729 1.00 0.00 H new ATOM 973 N PHE A 65 78.275 6.970 0.794 1.00 0.00 N ATOM 974 CA PHE A 65 79.000 7.643 1.905 1.00 0.00 C ATOM 975 C PHE A 65 78.570 9.105 2.005 1.00 0.00 C ATOM 976 O PHE A 65 77.840 9.606 1.174 1.00 0.00 O ATOM 977 CB PHE A 65 80.475 7.527 1.545 1.00 0.00 C ATOM 978 CG PHE A 65 80.904 6.089 1.708 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.741 5.453 2.944 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.451 5.390 0.627 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.129 4.118 3.100 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.837 4.054 0.783 1.00 0.00 C ATOM 983 CZ PHE A 65 81.676 3.418 2.021 1.00 0.00 C ATOM 0 H PHE A 65 78.568 7.242 -0.144 1.00 0.00 H new ATOM 0 HA PHE A 65 78.789 7.190 2.874 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.640 7.856 0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 65 81.072 8.174 2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.316 5.993 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.575 5.881 -0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.006 3.628 4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.259 3.513 -0.051 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.975 2.387 2.141 1.00 0.00 H new ATOM 993 N GLU A 66 78.993 9.784 3.032 1.00 0.00 N ATOM 994 CA GLU A 66 78.576 11.203 3.196 1.00 0.00 C ATOM 995 C GLU A 66 79.785 12.144 3.176 1.00 0.00 C ATOM 996 O GLU A 66 79.696 13.288 3.577 1.00 0.00 O ATOM 997 CB GLU A 66 77.861 11.241 4.554 1.00 0.00 C ATOM 998 CG GLU A 66 78.871 11.459 5.686 1.00 0.00 C ATOM 999 CD GLU A 66 78.960 12.951 6.012 1.00 0.00 C ATOM 1000 OE1 GLU A 66 78.046 13.673 5.648 1.00 0.00 O ATOM 1001 OE2 GLU A 66 79.939 13.347 6.622 1.00 0.00 O ATOM 0 H GLU A 66 79.606 9.421 3.762 1.00 0.00 H new ATOM 0 HA GLU A 66 77.932 11.539 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.121 12.041 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.322 10.307 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 66 78.567 10.900 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 66 79.850 11.081 5.391 1.00 0.00 H new ATOM 1008 N SER A 67 80.909 11.682 2.710 1.00 0.00 N ATOM 1009 CA SER A 67 82.107 12.576 2.676 1.00 0.00 C ATOM 1010 C SER A 67 83.204 12.032 1.777 1.00 0.00 C ATOM 1011 O SER A 67 83.136 10.936 1.254 1.00 0.00 O ATOM 1012 CB SER A 67 82.622 12.632 4.109 1.00 0.00 C ATOM 1013 OG SER A 67 82.735 11.312 4.620 1.00 0.00 O ATOM 0 H SER A 67 81.054 10.737 2.354 1.00 0.00 H new ATOM 0 HA SER A 67 81.832 13.554 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.591 13.130 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.943 13.217 4.729 1.00 0.00 H new ATOM 0 HG SER A 67 81.930 11.089 5.132 1.00 0.00 H new ATOM 1019 N ALA A 68 84.240 12.801 1.643 1.00 0.00 N ATOM 1020 CA ALA A 68 85.402 12.377 0.832 1.00 0.00 C ATOM 1021 C ALA A 68 86.217 11.419 1.670 1.00 0.00 C ATOM 1022 O ALA A 68 86.942 10.577 1.179 1.00 0.00 O ATOM 1023 CB ALA A 68 86.190 13.658 0.603 1.00 0.00 C ATOM 0 H ALA A 68 84.331 13.723 2.070 1.00 0.00 H new ATOM 0 HA ALA A 68 85.135 11.890 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 68 87.075 13.439 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 68 85.566 14.379 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.494 14.075 1.563 1.00 0.00 H new ATOM 1029 N GLU A 69 86.083 11.559 2.951 1.00 0.00 N ATOM 1030 CA GLU A 69 86.819 10.686 3.885 1.00 0.00 C ATOM 1031 C GLU A 69 86.156 9.311 3.911 1.00 0.00 C ATOM 1032 O GLU A 69 86.805 8.291 4.064 1.00 0.00 O ATOM 1033 CB GLU A 69 86.686 11.403 5.220 1.00 0.00 C ATOM 1034 CG GLU A 69 88.043 11.429 5.918 1.00 0.00 C ATOM 1035 CD GLU A 69 87.958 10.657 7.236 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.693 9.468 7.188 1.00 0.00 O ATOM 1037 OE2 GLU A 69 88.160 11.270 8.273 1.00 0.00 O ATOM 0 H GLU A 69 85.484 12.254 3.396 1.00 0.00 H new ATOM 0 HA GLU A 69 87.863 10.520 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.325 12.420 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.952 10.896 5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.803 10.986 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.346 12.459 6.107 1.00 0.00 H new ATOM 1044 N ASP A 70 84.867 9.272 3.708 1.00 0.00 N ATOM 1045 CA ASP A 70 84.169 7.969 3.671 1.00 0.00 C ATOM 1046 C ASP A 70 84.431 7.367 2.303 1.00 0.00 C ATOM 1047 O ASP A 70 84.475 6.167 2.125 1.00 0.00 O ATOM 1048 CB ASP A 70 82.686 8.295 3.848 1.00 0.00 C ATOM 1049 CG ASP A 70 82.441 8.846 5.251 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.239 8.562 6.129 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.456 9.546 5.422 1.00 0.00 O ATOM 0 H ASP A 70 84.273 10.089 3.567 1.00 0.00 H new ATOM 0 HA ASP A 70 84.497 7.266 4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.373 9.025 3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.086 7.399 3.689 1.00 0.00 H new ATOM 1056 N LEU A 71 84.635 8.220 1.337 1.00 0.00 N ATOM 1057 CA LEU A 71 84.929 7.735 -0.028 1.00 0.00 C ATOM 1058 C LEU A 71 86.368 7.216 -0.065 1.00 0.00 C ATOM 1059 O LEU A 71 86.668 6.221 -0.694 1.00 0.00 O ATOM 1060 CB LEU A 71 84.755 8.957 -0.936 1.00 0.00 C ATOM 1061 CG LEU A 71 85.224 8.631 -2.360 1.00 0.00 C ATOM 1062 CD1 LEU A 71 86.752 8.674 -2.422 1.00 0.00 C ATOM 1063 CD2 LEU A 71 84.737 7.234 -2.760 1.00 0.00 C ATOM 0 H LEU A 71 84.609 9.234 1.441 1.00 0.00 H new ATOM 0 HA LEU A 71 84.278 6.920 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.709 9.262 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 71 85.326 9.797 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 71 84.812 9.368 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 71 87.082 8.442 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 71 87.099 9.670 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 71 87.165 7.941 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 71 85.073 7.008 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 71 85.143 6.495 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 71 83.648 7.204 -2.724 1.00 0.00 H new ATOM 1075 N GLU A 72 87.257 7.879 0.628 1.00 0.00 N ATOM 1076 CA GLU A 72 88.673 7.420 0.659 1.00 0.00 C ATOM 1077 C GLU A 72 88.743 6.067 1.368 1.00 0.00 C ATOM 1078 O GLU A 72 89.512 5.194 1.005 1.00 0.00 O ATOM 1079 CB GLU A 72 89.423 8.488 1.459 1.00 0.00 C ATOM 1080 CG GLU A 72 90.900 8.104 1.565 1.00 0.00 C ATOM 1081 CD GLU A 72 91.578 8.302 0.209 1.00 0.00 C ATOM 1082 OE1 GLU A 72 91.232 9.253 -0.472 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.433 7.499 -0.128 1.00 0.00 O ATOM 0 H GLU A 72 87.061 8.719 1.173 1.00 0.00 H new ATOM 0 HA GLU A 72 89.101 7.295 -0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.323 9.459 0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.989 8.583 2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 72 91.392 8.715 2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.995 7.066 1.883 1.00 0.00 H new ATOM 1090 N LYS A 73 87.908 5.868 2.353 1.00 0.00 N ATOM 1091 CA LYS A 73 87.897 4.563 3.048 1.00 0.00 C ATOM 1092 C LYS A 73 87.189 3.587 2.132 1.00 0.00 C ATOM 1093 O LYS A 73 87.504 2.417 2.072 1.00 0.00 O ATOM 1094 CB LYS A 73 87.103 4.790 4.334 1.00 0.00 C ATOM 1095 CG LYS A 73 87.923 4.310 5.532 1.00 0.00 C ATOM 1096 CD LYS A 73 89.169 5.186 5.682 1.00 0.00 C ATOM 1097 CE LYS A 73 88.854 6.369 6.602 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.037 6.478 7.502 1.00 0.00 N ATOM 0 H LYS A 73 87.238 6.554 2.700 1.00 0.00 H new ATOM 0 HA LYS A 73 88.887 4.172 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.864 5.848 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 73 86.156 4.252 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 73 87.322 4.356 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 73 88.212 3.268 5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 73 89.991 4.600 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 73 89.492 5.547 4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 73 88.706 7.286 6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 73 87.940 6.196 7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 89.898 7.268 8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 90.149 5.593 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 90.891 6.649 6.934 1.00 0.00 H new ATOM 1112 N ALA A 74 86.242 4.086 1.387 1.00 0.00 N ATOM 1113 CA ALA A 74 85.520 3.218 0.439 1.00 0.00 C ATOM 1114 C ALA A 74 86.540 2.566 -0.489 1.00 0.00 C ATOM 1115 O ALA A 74 86.395 1.433 -0.902 1.00 0.00 O ATOM 1116 CB ALA A 74 84.587 4.147 -0.338 1.00 0.00 C ATOM 0 H ALA A 74 85.942 5.061 1.400 1.00 0.00 H new ATOM 0 HA ALA A 74 84.954 2.425 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 74 84.017 3.567 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.902 4.636 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 74 85.176 4.901 -0.859 1.00 0.00 H new ATOM 1122 N LEU A 75 87.591 3.278 -0.791 1.00 0.00 N ATOM 1123 CA LEU A 75 88.653 2.719 -1.658 1.00 0.00 C ATOM 1124 C LEU A 75 89.421 1.677 -0.853 1.00 0.00 C ATOM 1125 O LEU A 75 89.672 0.579 -1.308 1.00 0.00 O ATOM 1126 CB LEU A 75 89.541 3.915 -1.993 1.00 0.00 C ATOM 1127 CG LEU A 75 90.456 3.564 -3.161 1.00 0.00 C ATOM 1128 CD1 LEU A 75 91.500 2.545 -2.703 1.00 0.00 C ATOM 1129 CD2 LEU A 75 89.626 2.973 -4.301 1.00 0.00 C ATOM 0 H LEU A 75 87.756 4.232 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 75 88.281 2.237 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.925 4.778 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 75 90.136 4.193 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 75 90.960 4.465 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 75 92.154 2.294 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 75 92.092 2.970 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.999 1.643 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 75 90.281 2.722 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 75 89.120 2.072 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.885 3.703 -4.628 1.00 0.00 H new ATOM 1141 N GLU A 76 89.770 2.013 0.360 1.00 0.00 N ATOM 1142 CA GLU A 76 90.494 1.038 1.218 1.00 0.00 C ATOM 1143 C GLU A 76 89.483 0.085 1.869 1.00 0.00 C ATOM 1144 O GLU A 76 89.822 -0.725 2.709 1.00 0.00 O ATOM 1145 CB GLU A 76 91.199 1.885 2.279 1.00 0.00 C ATOM 1146 CG GLU A 76 92.715 1.749 2.117 1.00 0.00 C ATOM 1147 CD GLU A 76 93.399 3.016 2.632 1.00 0.00 C ATOM 1148 OE1 GLU A 76 92.918 3.571 3.607 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.391 3.411 2.044 1.00 0.00 O ATOM 0 H GLU A 76 89.585 2.919 0.791 1.00 0.00 H new ATOM 0 HA GLU A 76 91.203 0.429 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 76 90.904 2.930 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 76 90.899 1.562 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.074 0.880 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.966 1.588 1.069 1.00 0.00 H new ATOM 1156 N LEU A 77 88.238 0.184 1.479 1.00 0.00 N ATOM 1157 CA LEU A 77 87.182 -0.698 2.056 1.00 0.00 C ATOM 1158 C LEU A 77 87.263 -2.094 1.444 1.00 0.00 C ATOM 1159 O LEU A 77 86.647 -3.031 1.913 1.00 0.00 O ATOM 1160 CB LEU A 77 85.875 -0.030 1.649 1.00 0.00 C ATOM 1161 CG LEU A 77 85.064 0.314 2.891 1.00 0.00 C ATOM 1162 CD1 LEU A 77 85.794 1.388 3.698 1.00 0.00 C ATOM 1163 CD2 LEU A 77 83.697 0.834 2.458 1.00 0.00 C ATOM 0 H LEU A 77 87.906 0.846 0.778 1.00 0.00 H new ATOM 0 HA LEU A 77 87.281 -0.816 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.081 0.874 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 77 85.302 -0.694 1.002 1.00 0.00 H new ATOM 0 HG LEU A 77 84.940 -0.573 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 77 85.213 1.633 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 77 86.774 1.015 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 77 85.917 2.282 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 77 83.107 1.084 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 77 83.825 1.725 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 77 83.181 0.066 1.882 1.00 0.00 H new ATOM 1175 N THR A 78 88.011 -2.232 0.390 1.00 0.00 N ATOM 1176 CA THR A 78 88.138 -3.560 -0.283 1.00 0.00 C ATOM 1177 C THR A 78 89.005 -4.521 0.530 1.00 0.00 C ATOM 1178 O THR A 78 89.338 -5.602 0.086 1.00 0.00 O ATOM 1179 CB THR A 78 88.799 -3.256 -1.623 1.00 0.00 C ATOM 1180 OG1 THR A 78 88.082 -2.222 -2.282 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.805 -4.515 -2.493 1.00 0.00 C ATOM 0 H THR A 78 88.546 -1.478 -0.041 1.00 0.00 H new ATOM 0 HA THR A 78 87.169 -4.046 -0.393 1.00 0.00 H new ATOM 0 HB THR A 78 89.826 -2.933 -1.454 1.00 0.00 H new ATOM 0 HG1 THR A 78 88.515 -1.360 -2.106 1.00 0.00 H new ATOM 0 HG21 THR A 78 89.278 -4.294 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.361 -5.304 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.780 -4.845 -2.663 1.00 0.00 H new ATOM 1189 N GLY A 79 89.370 -4.139 1.712 1.00 0.00 N ATOM 1190 CA GLY A 79 90.212 -5.026 2.563 1.00 0.00 C ATOM 1191 C GLY A 79 89.514 -5.257 3.907 1.00 0.00 C ATOM 1192 O GLY A 79 90.131 -5.652 4.876 1.00 0.00 O ATOM 0 H GLY A 79 89.122 -3.244 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.380 -5.978 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.191 -4.573 2.722 1.00 0.00 H new ATOM 1196 N LEU A 80 88.234 -5.005 3.975 1.00 0.00 N ATOM 1197 CA LEU A 80 87.501 -5.200 5.255 1.00 0.00 C ATOM 1198 C LEU A 80 86.596 -6.426 5.180 1.00 0.00 C ATOM 1199 O LEU A 80 85.601 -6.440 4.483 1.00 0.00 O ATOM 1200 CB LEU A 80 86.665 -3.939 5.405 1.00 0.00 C ATOM 1201 CG LEU A 80 87.530 -2.810 5.966 1.00 0.00 C ATOM 1202 CD1 LEU A 80 86.771 -1.486 5.863 1.00 0.00 C ATOM 1203 CD2 LEU A 80 87.854 -3.098 7.433 1.00 0.00 C ATOM 0 H LEU A 80 87.665 -4.672 3.197 1.00 0.00 H new ATOM 0 HA LEU A 80 88.175 -5.363 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.252 -3.648 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.821 -4.128 6.069 1.00 0.00 H new ATOM 0 HG LEU A 80 88.456 -2.743 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 80 87.388 -0.681 6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.539 -1.280 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 80 85.845 -1.552 6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 80 88.471 -2.294 7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.928 -3.164 8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 80 88.395 -4.042 7.508 1.00 0.00 H new ATOM 1215 N LYS A 81 86.929 -7.446 5.912 1.00 0.00 N ATOM 1216 CA LYS A 81 86.089 -8.677 5.909 1.00 0.00 C ATOM 1217 C LYS A 81 84.849 -8.452 6.748 1.00 0.00 C ATOM 1218 O LYS A 81 84.785 -8.799 7.910 1.00 0.00 O ATOM 1219 CB LYS A 81 86.925 -9.748 6.548 1.00 0.00 C ATOM 1220 CG LYS A 81 87.921 -10.308 5.534 1.00 0.00 C ATOM 1221 CD LYS A 81 89.022 -11.074 6.269 1.00 0.00 C ATOM 1222 CE LYS A 81 90.234 -11.237 5.347 1.00 0.00 C ATOM 1223 NZ LYS A 81 89.803 -12.226 4.319 1.00 0.00 N ATOM 0 H LYS A 81 87.750 -7.484 6.516 1.00 0.00 H new ATOM 0 HA LYS A 81 85.779 -8.946 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.458 -9.341 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.284 -10.547 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.410 -10.968 4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.356 -9.497 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.310 -10.539 7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.654 -12.052 6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.513 -10.288 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 81 91.104 -11.593 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 90.630 -12.545 3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 89.361 -13.043 4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 89.117 -11.782 3.676 1.00 0.00 H new ATOM 1237 N VAL A 82 83.880 -7.876 6.148 1.00 0.00 N ATOM 1238 CA VAL A 82 82.592 -7.594 6.853 1.00 0.00 C ATOM 1239 C VAL A 82 82.248 -8.735 7.813 1.00 0.00 C ATOM 1240 O VAL A 82 82.701 -8.768 8.940 1.00 0.00 O ATOM 1241 CB VAL A 82 81.553 -7.434 5.733 1.00 0.00 C ATOM 1242 CG1 VAL A 82 81.787 -8.480 4.639 1.00 0.00 C ATOM 1243 CG2 VAL A 82 80.141 -7.585 6.308 1.00 0.00 C ATOM 0 H VAL A 82 83.907 -7.573 5.174 1.00 0.00 H new ATOM 0 HA VAL A 82 82.635 -6.698 7.472 1.00 0.00 H new ATOM 0 HB VAL A 82 81.657 -6.441 5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 82 81.044 -8.355 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 82 82.785 -8.351 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 82 81.699 -9.479 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 82 79.409 -7.471 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 82 80.035 -8.572 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 82 79.973 -6.820 7.066 1.00 0.00 H new ATOM 1253 N PHE A 83 81.468 -9.664 7.381 1.00 0.00 N ATOM 1254 CA PHE A 83 81.102 -10.810 8.261 1.00 0.00 C ATOM 1255 C PHE A 83 82.015 -12.003 7.961 1.00 0.00 C ATOM 1256 O PHE A 83 81.631 -13.145 8.114 1.00 0.00 O ATOM 1257 CB PHE A 83 79.653 -11.142 7.902 1.00 0.00 C ATOM 1258 CG PHE A 83 78.742 -10.704 9.024 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.991 -11.129 10.333 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.648 -9.871 8.755 1.00 0.00 C ATOM 1261 CE1 PHE A 83 78.147 -10.724 11.375 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.805 -9.466 9.795 1.00 0.00 C ATOM 1263 CZ PHE A 83 77.054 -9.893 11.105 1.00 0.00 C ATOM 0 H PHE A 83 81.058 -9.689 6.447 1.00 0.00 H new ATOM 0 HA PHE A 83 81.212 -10.575 9.320 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.373 -10.641 6.975 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.546 -12.213 7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.835 -11.770 10.541 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.456 -9.542 7.745 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.340 -11.053 12.386 1.00 0.00 H new ATOM 0 HE2 PHE A 83 75.962 -8.824 9.588 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.402 -9.581 11.908 1.00 0.00 H new ATOM 1273 N GLY A 84 83.219 -11.745 7.525 1.00 0.00 N ATOM 1274 CA GLY A 84 84.153 -12.859 7.205 1.00 0.00 C ATOM 1275 C GLY A 84 84.462 -12.839 5.708 1.00 0.00 C ATOM 1276 O GLY A 84 85.066 -13.747 5.174 1.00 0.00 O ATOM 0 H GLY A 84 83.595 -10.808 7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.073 -12.755 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.709 -13.814 7.484 1.00 0.00 H new ATOM 1280 N ASN A 85 84.052 -11.802 5.027 1.00 0.00 N ATOM 1281 CA ASN A 85 84.320 -11.713 3.564 1.00 0.00 C ATOM 1282 C ASN A 85 84.699 -10.277 3.198 1.00 0.00 C ATOM 1283 O ASN A 85 83.866 -9.395 3.170 1.00 0.00 O ATOM 1284 CB ASN A 85 83.004 -12.111 2.894 1.00 0.00 C ATOM 1285 CG ASN A 85 82.886 -13.636 2.866 1.00 0.00 C ATOM 1286 OD1 ASN A 85 83.248 -14.303 3.815 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.387 -14.221 1.810 1.00 0.00 N ATOM 0 H ASN A 85 83.542 -11.012 5.423 1.00 0.00 H new ATOM 0 HA ASN A 85 85.142 -12.355 3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.163 -11.681 3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.966 -11.714 1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 85 82.301 -15.237 1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 85 82.083 -13.662 1.013 1.00 0.00 H new ATOM 1294 N GLU A 86 85.951 -10.040 2.926 1.00 0.00 N ATOM 1295 CA GLU A 86 86.396 -8.661 2.568 1.00 0.00 C ATOM 1296 C GLU A 86 85.469 -8.050 1.514 1.00 0.00 C ATOM 1297 O GLU A 86 85.701 -8.165 0.327 1.00 0.00 O ATOM 1298 CB GLU A 86 87.807 -8.846 2.014 1.00 0.00 C ATOM 1299 CG GLU A 86 88.206 -7.625 1.183 1.00 0.00 C ATOM 1300 CD GLU A 86 88.191 -7.992 -0.303 1.00 0.00 C ATOM 1301 OE1 GLU A 86 88.539 -9.118 -0.618 1.00 0.00 O ATOM 1302 OE2 GLU A 86 87.833 -7.140 -1.099 1.00 0.00 O ATOM 0 H GLU A 86 86.690 -10.743 2.936 1.00 0.00 H new ATOM 0 HA GLU A 86 86.375 -7.982 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.513 -8.986 2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.850 -9.745 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.517 -6.802 1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 86 89.199 -7.282 1.474 1.00 0.00 H new ATOM 1309 N ILE A 87 84.422 -7.399 1.940 1.00 0.00 N ATOM 1310 CA ILE A 87 83.484 -6.777 0.964 1.00 0.00 C ATOM 1311 C ILE A 87 84.266 -6.027 -0.110 1.00 0.00 C ATOM 1312 O ILE A 87 85.301 -5.444 0.147 1.00 0.00 O ATOM 1313 CB ILE A 87 82.616 -5.797 1.764 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.443 -5.142 2.876 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.434 -6.547 2.379 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.096 -3.655 2.963 1.00 0.00 C ATOM 0 H ILE A 87 84.176 -7.271 2.921 1.00 0.00 H new ATOM 0 HA ILE A 87 82.875 -7.530 0.465 1.00 0.00 H new ATOM 0 HB ILE A 87 82.248 -5.020 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.240 -5.630 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.507 -5.267 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.817 -5.851 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.837 -6.997 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.804 -7.329 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.684 -3.190 3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.321 -3.173 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.035 -3.541 3.185 1.00 0.00 H new ATOM 1328 N LYS A 88 83.771 -6.038 -1.308 1.00 0.00 N ATOM 1329 CA LYS A 88 84.467 -5.326 -2.414 1.00 0.00 C ATOM 1330 C LYS A 88 83.572 -4.214 -2.959 1.00 0.00 C ATOM 1331 O LYS A 88 82.367 -4.262 -2.832 1.00 0.00 O ATOM 1332 CB LYS A 88 84.710 -6.388 -3.485 1.00 0.00 C ATOM 1333 CG LYS A 88 85.318 -5.732 -4.726 1.00 0.00 C ATOM 1334 CD LYS A 88 85.178 -6.675 -5.923 1.00 0.00 C ATOM 1335 CE LYS A 88 86.568 -7.059 -6.436 1.00 0.00 C ATOM 1336 NZ LYS A 88 86.315 -7.879 -7.653 1.00 0.00 N ATOM 0 H LYS A 88 82.908 -6.512 -1.575 1.00 0.00 H new ATOM 0 HA LYS A 88 85.398 -4.862 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 88 85.380 -7.158 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 88 83.772 -6.880 -3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 88 84.816 -4.787 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 88 86.369 -5.503 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 88 84.626 -7.569 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 88 84.607 -6.191 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 88 87.160 -6.175 -6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 88 87.123 -7.624 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 87.222 -8.181 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 85.755 -8.717 -7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 85.791 -7.313 -8.350 1.00 0.00 H new ATOM 1350 N LEU A 89 84.151 -3.215 -3.555 1.00 0.00 N ATOM 1351 CA LEU A 89 83.342 -2.097 -4.104 1.00 0.00 C ATOM 1352 C LEU A 89 83.576 -1.961 -5.607 1.00 0.00 C ATOM 1353 O LEU A 89 84.393 -2.648 -6.186 1.00 0.00 O ATOM 1354 CB LEU A 89 83.832 -0.850 -3.369 1.00 0.00 C ATOM 1355 CG LEU A 89 85.348 -0.908 -3.172 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.929 0.503 -3.253 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.659 -1.509 -1.799 1.00 0.00 C ATOM 0 H LEU A 89 85.158 -3.124 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 89 82.273 -2.257 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.567 0.042 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.336 -0.772 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 89 85.792 -1.528 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.009 0.460 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.707 0.932 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.486 1.124 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.739 -1.551 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.214 -0.888 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.246 -2.516 -1.740 1.00 0.00 H new ATOM 1369 N GLU A 90 82.854 -1.083 -6.240 1.00 0.00 N ATOM 1370 CA GLU A 90 83.019 -0.900 -7.707 1.00 0.00 C ATOM 1371 C GLU A 90 82.385 0.430 -8.136 1.00 0.00 C ATOM 1372 O GLU A 90 81.580 1.001 -7.427 1.00 0.00 O ATOM 1373 CB GLU A 90 82.288 -2.106 -8.320 1.00 0.00 C ATOM 1374 CG GLU A 90 81.667 -1.730 -9.666 1.00 0.00 C ATOM 1375 CD GLU A 90 81.494 -2.988 -10.519 1.00 0.00 C ATOM 1376 OE1 GLU A 90 82.436 -3.758 -10.602 1.00 0.00 O ATOM 1377 OE2 GLU A 90 80.422 -3.158 -11.076 1.00 0.00 O ATOM 0 H GLU A 90 82.155 -0.482 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 90 84.060 -0.858 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 90 82.986 -2.932 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 90 81.511 -2.452 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 90 80.702 -1.248 -9.511 1.00 0.00 H new ATOM 0 HG3 GLU A 90 82.303 -1.012 -10.184 1.00 0.00 H new