USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 559 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 85 SER OG : rot -13:sc= 1.58 USER MOD Set 1.2: A 86 CYS SG : rot 47:sc= 0.41 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 141:sc= 0.156 USER MOD Single : A 31 LYS NZ :NH3+ -133:sc= -0.175 (180deg=-0.674!) USER MOD Single : A 33 SER OG : rot -91:sc= 1.27 USER MOD Single : A 38 THR OG1 : rot -103:sc= -1.46 USER MOD Single : A 44 SER OG : rot 77:sc= 0.291 USER MOD Single : A 46 MET CE :methyl 149:sc= -1.17 (180deg=-3.21!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00831 USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= -0.0116 (180deg=-0.135) USER MOD Single : A 50 LYS NZ :NH3+ -130:sc= -0.127 (180deg=-0.59) USER MOD Single : A 57 SER OG : rot 47:sc= 1.22 USER MOD Single : A 58 SER OG : rot -4:sc= 0.54 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0138 K(o=-0.014,f=-0.87) USER MOD Single : A 90 MET CE :methyl 167:sc= 0 (180deg=-0.187) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 81:sc= 0.695 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -2.344 -6.201 10.551 1.00 10.33 N ATOM 378 CA ASN A 27 -2.986 -7.335 9.899 1.00 62.34 C ATOM 379 C ASN A 27 -2.293 -7.593 8.573 1.00 72.45 C ATOM 380 O ASN A 27 -1.336 -6.906 8.233 1.00 11.43 O ATOM 381 CB ASN A 27 -4.481 -7.069 9.654 1.00 22.41 C ATOM 382 CG ASN A 27 -5.326 -7.191 10.910 1.00 53.32 C ATOM 383 OD1 ASN A 27 -5.814 -8.272 11.240 1.00 74.22 O ATOM 384 ND2 ASN A 27 -5.515 -6.087 11.616 1.00 43.31 N ATOM 0 HA ASN A 27 -2.903 -8.205 10.551 1.00 62.34 H new ATOM 0 HB2 ASN A 27 -4.602 -6.068 9.239 1.00 22.41 H new ATOM 0 HB3 ASN A 27 -4.850 -7.771 8.906 1.00 22.41 H new ATOM 0 HD21 ASN A 27 -6.081 -6.115 12.464 1.00 43.31 H new ATOM 0 HD22 ASN A 27 -5.095 -5.209 11.312 1.00 43.31 H new ATOM 391 N CYS A 28 -2.775 -8.567 7.824 1.00 21.43 N ATOM 392 CA CYS A 28 -2.235 -8.835 6.501 1.00 31.14 C ATOM 393 C CYS A 28 -3.150 -8.228 5.441 1.00 70.14 C ATOM 394 O CYS A 28 -2.992 -8.475 4.244 1.00 64.31 O ATOM 395 CB CYS A 28 -2.088 -10.340 6.278 1.00 13.15 C ATOM 396 SG CYS A 28 -1.038 -11.162 7.497 1.00 41.25 S ATOM 0 H CYS A 28 -3.536 -9.184 8.106 1.00 21.43 H new ATOM 0 HA CYS A 28 -1.247 -8.381 6.422 1.00 31.14 H new ATOM 0 HB2 CYS A 28 -3.077 -10.798 6.297 1.00 13.15 H new ATOM 0 HB3 CYS A 28 -1.676 -10.511 5.284 1.00 13.15 H new ATOM 0 HG CYS A 28 -0.975 -12.432 7.229 1.00 41.25 H new ATOM 402 N THR A 29 -4.104 -7.429 5.896 1.00 44.03 N ATOM 403 CA THR A 29 -5.074 -6.809 5.015 1.00 22.11 C ATOM 404 C THR A 29 -4.671 -5.377 4.693 1.00 2.21 C ATOM 405 O THR A 29 -4.523 -4.544 5.585 1.00 3.52 O ATOM 406 CB THR A 29 -6.476 -6.817 5.651 1.00 31.10 C ATOM 407 OG1 THR A 29 -6.770 -8.122 6.170 1.00 24.11 O ATOM 408 CG2 THR A 29 -7.539 -6.425 4.637 1.00 54.01 C ATOM 0 H THR A 29 -4.225 -7.195 6.881 1.00 44.03 H new ATOM 0 HA THR A 29 -5.100 -7.388 4.092 1.00 22.11 H new ATOM 0 HB THR A 29 -6.483 -6.088 6.461 1.00 31.10 H new ATOM 0 HG1 THR A 29 -7.663 -8.120 6.575 1.00 24.11 H new ATOM 0 HG21 THR A 29 -8.519 -6.439 5.114 1.00 54.01 H new ATOM 0 HG22 THR A 29 -7.332 -5.423 4.262 1.00 54.01 H new ATOM 0 HG23 THR A 29 -7.529 -7.132 3.807 1.00 54.01 H new ATOM 416 N SER A 30 -4.497 -5.104 3.416 1.00 51.40 N ATOM 417 CA SER A 30 -4.103 -3.790 2.959 1.00 12.14 C ATOM 418 C SER A 30 -5.327 -3.009 2.496 1.00 32.41 C ATOM 419 O SER A 30 -5.975 -3.383 1.520 1.00 2.34 O ATOM 420 CB SER A 30 -3.099 -3.936 1.824 1.00 73.12 C ATOM 421 OG SER A 30 -2.029 -4.782 2.205 1.00 51.44 O ATOM 0 H SER A 30 -4.625 -5.786 2.668 1.00 51.40 H new ATOM 0 HA SER A 30 -3.638 -3.240 3.778 1.00 12.14 H new ATOM 0 HB2 SER A 30 -3.595 -4.344 0.944 1.00 73.12 H new ATOM 0 HB3 SER A 30 -2.712 -2.956 1.546 1.00 73.12 H new ATOM 0 HG SER A 30 -1.778 -5.353 1.449 1.00 51.44 H new ATOM 427 N LYS A 31 -5.643 -1.948 3.223 1.00 12.52 N ATOM 428 CA LYS A 31 -6.825 -1.139 2.953 1.00 42.31 C ATOM 429 C LYS A 31 -6.466 0.167 2.248 1.00 31.44 C ATOM 430 O LYS A 31 -5.569 0.894 2.684 1.00 70.02 O ATOM 431 CB LYS A 31 -7.535 -0.816 4.269 1.00 0.23 C ATOM 432 CG LYS A 31 -8.399 -1.945 4.808 1.00 32.00 C ATOM 433 CD LYS A 31 -9.840 -1.812 4.336 1.00 42.33 C ATOM 434 CE LYS A 31 -10.460 -0.511 4.830 1.00 73.15 C ATOM 435 NZ LYS A 31 -11.875 -0.369 4.409 1.00 71.33 N ATOM 0 H LYS A 31 -5.089 -1.623 4.016 1.00 12.52 H new ATOM 0 HA LYS A 31 -7.479 -1.714 2.297 1.00 42.31 H new ATOM 0 HB2 LYS A 31 -6.786 -0.558 5.018 1.00 0.23 H new ATOM 0 HB3 LYS A 31 -8.159 0.066 4.125 1.00 0.23 H new ATOM 0 HG2 LYS A 31 -7.994 -2.903 4.482 1.00 32.00 H new ATOM 0 HG3 LYS A 31 -8.369 -1.940 5.898 1.00 32.00 H new ATOM 0 HD2 LYS A 31 -9.874 -1.844 3.247 1.00 42.33 H new ATOM 0 HD3 LYS A 31 -10.424 -2.658 4.698 1.00 42.33 H new ATOM 0 HE2 LYS A 31 -10.401 -0.472 5.918 1.00 73.15 H new ATOM 0 HE3 LYS A 31 -9.883 0.332 4.449 1.00 73.15 H new ATOM 0 HZ1 LYS A 31 -12.028 0.584 4.021 1.00 71.33 H new ATOM 0 HZ2 LYS A 31 -12.093 -1.078 3.681 1.00 71.33 H new ATOM 0 HZ3 LYS A 31 -12.497 -0.513 5.230 1.00 71.33 H new ATOM 449 N PHE A 32 -7.163 0.452 1.161 1.00 44.21 N ATOM 450 CA PHE A 32 -7.065 1.745 0.503 1.00 31.14 C ATOM 451 C PHE A 32 -8.460 2.265 0.198 1.00 34.24 C ATOM 452 O PHE A 32 -9.222 1.620 -0.520 1.00 15.41 O ATOM 453 CB PHE A 32 -6.245 1.667 -0.789 1.00 72.33 C ATOM 454 CG PHE A 32 -6.063 3.007 -1.450 1.00 25.31 C ATOM 455 CD1 PHE A 32 -7.021 3.503 -2.320 1.00 3.32 C ATOM 456 CD2 PHE A 32 -4.945 3.781 -1.182 1.00 70.23 C ATOM 457 CE1 PHE A 32 -6.866 4.740 -2.912 1.00 41.23 C ATOM 458 CE2 PHE A 32 -4.786 5.021 -1.771 1.00 72.11 C ATOM 459 CZ PHE A 32 -5.749 5.501 -2.636 1.00 5.13 C ATOM 0 H PHE A 32 -7.807 -0.199 0.713 1.00 44.21 H new ATOM 0 HA PHE A 32 -6.551 2.428 1.179 1.00 31.14 H new ATOM 0 HB2 PHE A 32 -5.266 1.241 -0.567 1.00 72.33 H new ATOM 0 HB3 PHE A 32 -6.737 0.988 -1.485 1.00 72.33 H new ATOM 0 HD1 PHE A 32 -7.900 2.914 -2.537 1.00 3.32 H new ATOM 0 HD2 PHE A 32 -4.189 3.411 -0.505 1.00 70.23 H new ATOM 0 HE1 PHE A 32 -7.619 5.112 -3.591 1.00 41.23 H new ATOM 0 HE2 PHE A 32 -3.909 5.614 -1.555 1.00 72.11 H new ATOM 0 HZ PHE A 32 -5.628 6.471 -3.096 1.00 5.13 H new ATOM 469 N SER A 33 -8.789 3.425 0.743 1.00 13.15 N ATOM 470 CA SER A 33 -10.115 3.999 0.567 1.00 45.31 C ATOM 471 C SER A 33 -10.018 5.430 0.037 1.00 12.34 C ATOM 472 O SER A 33 -9.423 6.297 0.680 1.00 72.52 O ATOM 473 CB SER A 33 -10.857 3.992 1.904 1.00 30.04 C ATOM 474 OG SER A 33 -10.551 2.826 2.654 1.00 52.15 O ATOM 0 H SER A 33 -8.157 3.988 1.311 1.00 13.15 H new ATOM 0 HA SER A 33 -10.663 3.398 -0.159 1.00 45.31 H new ATOM 0 HB2 SER A 33 -10.586 4.878 2.478 1.00 30.04 H new ATOM 0 HB3 SER A 33 -11.931 4.042 1.727 1.00 30.04 H new ATOM 0 HG SER A 33 -11.198 2.121 2.442 1.00 52.15 H new ATOM 480 N ARG A 34 -10.587 5.676 -1.139 1.00 0.10 N ATOM 481 CA ARG A 34 -10.607 7.019 -1.715 1.00 21.44 C ATOM 482 C ARG A 34 -11.888 7.237 -2.518 1.00 52.11 C ATOM 483 O ARG A 34 -12.403 6.305 -3.135 1.00 51.52 O ATOM 484 CB ARG A 34 -9.382 7.247 -2.613 1.00 62.31 C ATOM 485 CG ARG A 34 -9.394 8.593 -3.329 1.00 23.30 C ATOM 486 CD ARG A 34 -8.168 8.793 -4.200 1.00 35.31 C ATOM 487 NE ARG A 34 -6.960 9.023 -3.410 1.00 73.33 N ATOM 488 CZ ARG A 34 -5.960 9.813 -3.800 1.00 43.45 C ATOM 489 NH1 ARG A 34 -6.046 10.490 -4.939 1.00 15.14 N ATOM 490 NH2 ARG A 34 -4.890 9.954 -3.032 1.00 44.54 N ATOM 0 H ARG A 34 -11.040 4.965 -1.712 1.00 0.10 H new ATOM 0 HA ARG A 34 -10.576 7.737 -0.896 1.00 21.44 H new ATOM 0 HB2 ARG A 34 -8.479 7.175 -2.007 1.00 62.31 H new ATOM 0 HB3 ARG A 34 -9.332 6.450 -3.355 1.00 62.31 H new ATOM 0 HG2 ARG A 34 -10.290 8.666 -3.945 1.00 23.30 H new ATOM 0 HG3 ARG A 34 -9.448 9.394 -2.592 1.00 23.30 H new ATOM 0 HD2 ARG A 34 -8.026 7.916 -4.831 1.00 35.31 H new ATOM 0 HD3 ARG A 34 -8.332 9.641 -4.865 1.00 35.31 H new ATOM 0 HE ARG A 34 -6.878 8.552 -2.509 1.00 73.33 H new ATOM 0 HH11 ARG A 34 -6.880 10.407 -5.520 1.00 15.14 H new ATOM 0 HH12 ARG A 34 -5.278 11.093 -5.233 1.00 15.14 H new ATOM 0 HH21 ARG A 34 -4.832 9.458 -2.143 1.00 44.54 H new ATOM 0 HH22 ARG A 34 -4.124 10.558 -3.330 1.00 44.54 H new ATOM 504 N PHE A 35 -12.404 8.462 -2.499 1.00 64.42 N ATOM 505 CA PHE A 35 -13.578 8.813 -3.288 1.00 1.20 C ATOM 506 C PHE A 35 -13.158 9.197 -4.702 1.00 22.40 C ATOM 507 O PHE A 35 -12.126 9.844 -4.898 1.00 72.10 O ATOM 508 CB PHE A 35 -14.341 9.983 -2.653 1.00 41.11 C ATOM 509 CG PHE A 35 -14.906 9.688 -1.292 1.00 31.13 C ATOM 510 CD1 PHE A 35 -16.103 9.003 -1.158 1.00 72.41 C ATOM 511 CD2 PHE A 35 -14.245 10.105 -0.147 1.00 24.11 C ATOM 512 CE1 PHE A 35 -16.630 8.740 0.093 1.00 20.42 C ATOM 513 CE2 PHE A 35 -14.766 9.843 1.105 1.00 53.32 C ATOM 514 CZ PHE A 35 -15.960 9.160 1.225 1.00 53.55 C ATOM 0 H PHE A 35 -12.026 9.230 -1.944 1.00 64.42 H new ATOM 0 HA PHE A 35 -14.234 7.943 -3.319 1.00 1.20 H new ATOM 0 HB2 PHE A 35 -13.671 10.840 -2.577 1.00 41.11 H new ATOM 0 HB3 PHE A 35 -15.156 10.273 -3.317 1.00 41.11 H new ATOM 0 HD1 PHE A 35 -16.630 8.671 -2.040 1.00 72.41 H new ATOM 0 HD2 PHE A 35 -13.312 10.641 -0.235 1.00 24.11 H new ATOM 0 HE1 PHE A 35 -17.565 8.207 0.185 1.00 20.42 H new ATOM 0 HE2 PHE A 35 -14.240 10.172 1.989 1.00 53.32 H new ATOM 0 HZ PHE A 35 -16.369 8.955 2.203 1.00 53.55 H new ATOM 524 N PHE A 36 -13.958 8.801 -5.678 1.00 5.44 N ATOM 525 CA PHE A 36 -13.688 9.128 -7.072 1.00 2.04 C ATOM 526 C PHE A 36 -14.913 9.751 -7.720 1.00 14.51 C ATOM 527 O PHE A 36 -16.030 9.585 -7.230 1.00 1.21 O ATOM 528 CB PHE A 36 -13.252 7.884 -7.850 1.00 5.33 C ATOM 529 CG PHE A 36 -11.876 7.406 -7.481 1.00 2.13 C ATOM 530 CD1 PHE A 36 -10.753 7.988 -8.047 1.00 53.10 C ATOM 531 CD2 PHE A 36 -11.704 6.378 -6.569 1.00 14.33 C ATOM 532 CE1 PHE A 36 -9.486 7.553 -7.710 1.00 61.22 C ATOM 533 CE2 PHE A 36 -10.439 5.941 -6.227 1.00 20.54 C ATOM 534 CZ PHE A 36 -9.331 6.529 -6.799 1.00 14.14 C ATOM 0 H PHE A 36 -14.804 8.250 -5.532 1.00 5.44 H new ATOM 0 HA PHE A 36 -12.873 9.851 -7.097 1.00 2.04 H new ATOM 0 HB2 PHE A 36 -13.968 7.082 -7.671 1.00 5.33 H new ATOM 0 HB3 PHE A 36 -13.279 8.103 -8.917 1.00 5.33 H new ATOM 0 HD1 PHE A 36 -10.870 8.791 -8.760 1.00 53.10 H new ATOM 0 HD2 PHE A 36 -12.569 5.913 -6.120 1.00 14.33 H new ATOM 0 HE1 PHE A 36 -8.618 8.014 -8.159 1.00 61.22 H new ATOM 0 HE2 PHE A 36 -10.318 5.140 -5.513 1.00 20.54 H new ATOM 0 HZ PHE A 36 -8.341 6.188 -6.534 1.00 14.14 H new ATOM 544 N ALA A 37 -14.693 10.462 -8.821 1.00 51.55 N ATOM 545 CA ALA A 37 -15.764 11.174 -9.511 1.00 42.25 C ATOM 546 C ALA A 37 -16.804 10.211 -10.073 1.00 50.42 C ATOM 547 O ALA A 37 -18.003 10.471 -9.999 1.00 21.33 O ATOM 548 CB ALA A 37 -15.190 12.040 -10.623 1.00 44.35 C ATOM 0 H ALA A 37 -13.776 10.561 -9.257 1.00 51.55 H new ATOM 0 HA ALA A 37 -16.263 11.814 -8.783 1.00 42.25 H new ATOM 0 HB1 ALA A 37 -16.000 12.566 -11.130 1.00 44.35 H new ATOM 0 HB2 ALA A 37 -14.496 12.765 -10.198 1.00 44.35 H new ATOM 0 HB3 ALA A 37 -14.662 11.410 -11.339 1.00 44.35 H new ATOM 554 N THR A 38 -16.342 9.105 -10.637 1.00 41.13 N ATOM 555 CA THR A 38 -17.239 8.112 -11.209 1.00 45.02 C ATOM 556 C THR A 38 -16.792 6.711 -10.815 1.00 42.23 C ATOM 557 O THR A 38 -15.638 6.516 -10.426 1.00 73.43 O ATOM 558 CB THR A 38 -17.282 8.211 -12.748 1.00 21.04 C ATOM 559 OG1 THR A 38 -15.950 8.148 -13.278 1.00 60.54 O ATOM 560 CG2 THR A 38 -17.955 9.497 -13.204 1.00 74.22 C ATOM 0 H THR A 38 -15.352 8.873 -10.711 1.00 41.13 H new ATOM 0 HA THR A 38 -18.237 8.309 -10.818 1.00 45.02 H new ATOM 0 HB THR A 38 -17.867 7.371 -13.122 1.00 21.04 H new ATOM 0 HG1 THR A 38 -15.658 9.047 -13.537 1.00 60.54 H new ATOM 0 HG21 THR A 38 -17.968 9.534 -14.293 1.00 74.22 H new ATOM 0 HG22 THR A 38 -18.978 9.526 -12.828 1.00 74.22 H new ATOM 0 HG23 THR A 38 -17.402 10.354 -12.818 1.00 74.22 H new ATOM 568 N ARG A 39 -17.698 5.737 -10.907 1.00 2.22 N ATOM 569 CA ARG A 39 -17.338 4.344 -10.661 1.00 11.22 C ATOM 570 C ARG A 39 -16.254 3.907 -11.639 1.00 33.33 C ATOM 571 O ARG A 39 -15.401 3.086 -11.311 1.00 72.33 O ATOM 572 CB ARG A 39 -18.556 3.424 -10.781 1.00 50.14 C ATOM 573 CG ARG A 39 -18.194 1.946 -10.749 1.00 14.51 C ATOM 574 CD ARG A 39 -19.391 1.058 -11.031 1.00 11.51 C ATOM 575 NE ARG A 39 -19.003 -0.345 -11.162 1.00 63.40 N ATOM 576 CZ ARG A 39 -19.843 -1.321 -11.499 1.00 65.21 C ATOM 577 NH1 ARG A 39 -21.115 -1.046 -11.765 1.00 13.41 N ATOM 578 NH2 ARG A 39 -19.408 -2.572 -11.579 1.00 23.14 N ATOM 0 H ARG A 39 -18.678 5.887 -11.148 1.00 2.22 H new ATOM 0 HA ARG A 39 -16.959 4.267 -9.642 1.00 11.22 H new ATOM 0 HB2 ARG A 39 -19.248 3.640 -9.967 1.00 50.14 H new ATOM 0 HB3 ARG A 39 -19.079 3.644 -11.712 1.00 50.14 H new ATOM 0 HG2 ARG A 39 -17.415 1.748 -11.485 1.00 14.51 H new ATOM 0 HG3 ARG A 39 -17.780 1.696 -9.772 1.00 14.51 H new ATOM 0 HD2 ARG A 39 -20.118 1.161 -10.226 1.00 11.51 H new ATOM 0 HD3 ARG A 39 -19.881 1.387 -11.947 1.00 11.51 H new ATOM 0 HE ARG A 39 -18.029 -0.591 -10.984 1.00 63.40 H new ATOM 0 HH11 ARG A 39 -21.451 -0.084 -11.711 1.00 13.41 H new ATOM 0 HH12 ARG A 39 -21.756 -1.796 -12.023 1.00 13.41 H new ATOM 0 HH21 ARG A 39 -18.430 -2.786 -11.382 1.00 23.14 H new ATOM 0 HH22 ARG A 39 -20.051 -3.320 -11.837 1.00 23.14 H new ATOM 592 N GLU A 40 -16.291 4.481 -12.834 1.00 13.40 N ATOM 593 CA GLU A 40 -15.271 4.235 -13.843 1.00 34.40 C ATOM 594 C GLU A 40 -13.888 4.532 -13.292 1.00 32.11 C ATOM 595 O GLU A 40 -12.958 3.744 -13.449 1.00 11.14 O ATOM 596 CB GLU A 40 -15.520 5.110 -15.059 1.00 51.24 C ATOM 597 CG GLU A 40 -16.848 4.846 -15.740 1.00 5.42 C ATOM 598 CD GLU A 40 -17.002 5.638 -17.015 1.00 64.54 C ATOM 599 OE1 GLU A 40 -16.312 5.312 -17.999 1.00 20.15 O ATOM 600 OE2 GLU A 40 -17.801 6.595 -17.037 1.00 44.01 O ATOM 0 H GLU A 40 -17.024 5.126 -13.129 1.00 13.40 H new ATOM 0 HA GLU A 40 -15.323 3.184 -14.128 1.00 34.40 H new ATOM 0 HB2 GLU A 40 -15.479 6.156 -14.757 1.00 51.24 H new ATOM 0 HB3 GLU A 40 -14.716 4.954 -15.778 1.00 51.24 H new ATOM 0 HG2 GLU A 40 -16.935 3.782 -15.962 1.00 5.42 H new ATOM 0 HG3 GLU A 40 -17.660 5.097 -15.058 1.00 5.42 H new ATOM 607 N GLU A 41 -13.769 5.681 -12.643 1.00 54.41 N ATOM 608 CA GLU A 41 -12.521 6.093 -12.012 1.00 62.23 C ATOM 609 C GLU A 41 -12.060 5.061 -10.987 1.00 12.12 C ATOM 610 O GLU A 41 -10.864 4.878 -10.767 1.00 21.15 O ATOM 611 CB GLU A 41 -12.705 7.452 -11.340 1.00 14.33 C ATOM 612 CG GLU A 41 -12.939 8.582 -12.322 1.00 20.03 C ATOM 613 CD GLU A 41 -11.769 8.776 -13.260 1.00 52.02 C ATOM 614 OE1 GLU A 41 -10.811 9.483 -12.882 1.00 33.03 O ATOM 615 OE2 GLU A 41 -11.797 8.224 -14.378 1.00 50.32 O ATOM 0 H GLU A 41 -14.530 6.352 -12.538 1.00 54.41 H new ATOM 0 HA GLU A 41 -11.755 6.171 -12.783 1.00 62.23 H new ATOM 0 HB2 GLU A 41 -13.549 7.398 -10.652 1.00 14.33 H new ATOM 0 HB3 GLU A 41 -11.821 7.677 -10.743 1.00 14.33 H new ATOM 0 HG2 GLU A 41 -13.838 8.376 -12.903 1.00 20.03 H new ATOM 0 HG3 GLU A 41 -13.119 9.506 -11.773 1.00 20.03 H new ATOM 622 N ALA A 42 -13.020 4.382 -10.377 1.00 75.55 N ATOM 623 CA ALA A 42 -12.720 3.354 -9.392 1.00 33.43 C ATOM 624 C ALA A 42 -12.233 2.083 -10.082 1.00 52.13 C ATOM 625 O ALA A 42 -11.249 1.472 -9.660 1.00 43.42 O ATOM 626 CB ALA A 42 -13.939 3.067 -8.533 1.00 12.32 C ATOM 0 H ALA A 42 -14.015 4.525 -10.547 1.00 75.55 H new ATOM 0 HA ALA A 42 -11.924 3.718 -8.742 1.00 33.43 H new ATOM 0 HB1 ALA A 42 -13.696 2.296 -7.802 1.00 12.32 H new ATOM 0 HB2 ALA A 42 -14.241 3.977 -8.014 1.00 12.32 H new ATOM 0 HB3 ALA A 42 -14.757 2.722 -9.166 1.00 12.32 H new ATOM 632 N GLU A 43 -12.928 1.702 -11.151 1.00 32.41 N ATOM 633 CA GLU A 43 -12.550 0.538 -11.944 1.00 15.42 C ATOM 634 C GLU A 43 -11.144 0.725 -12.512 1.00 13.20 C ATOM 635 O GLU A 43 -10.311 -0.182 -12.461 1.00 5.14 O ATOM 636 CB GLU A 43 -13.538 0.326 -13.098 1.00 13.00 C ATOM 637 CG GLU A 43 -15.000 0.246 -12.671 1.00 42.31 C ATOM 638 CD GLU A 43 -15.319 -0.976 -11.830 1.00 30.01 C ATOM 639 OE1 GLU A 43 -14.586 -1.984 -11.928 1.00 34.14 O ATOM 640 OE2 GLU A 43 -16.326 -0.945 -11.088 1.00 63.42 O ATOM 0 H GLU A 43 -13.760 2.186 -11.488 1.00 32.41 H new ATOM 0 HA GLU A 43 -12.569 -0.337 -11.295 1.00 15.42 H new ATOM 0 HB2 GLU A 43 -13.425 1.142 -13.811 1.00 13.00 H new ATOM 0 HB3 GLU A 43 -13.274 -0.593 -13.621 1.00 13.00 H new ATOM 0 HG2 GLU A 43 -15.255 1.143 -12.106 1.00 42.31 H new ATOM 0 HG3 GLU A 43 -15.630 0.240 -13.560 1.00 42.31 H new ATOM 647 N SER A 44 -10.893 1.918 -13.041 1.00 50.22 N ATOM 648 CA SER A 44 -9.599 2.267 -13.616 1.00 22.51 C ATOM 649 C SER A 44 -8.502 2.312 -12.553 1.00 50.40 C ATOM 650 O SER A 44 -7.330 2.078 -12.851 1.00 62.14 O ATOM 651 CB SER A 44 -9.696 3.617 -14.332 1.00 43.40 C ATOM 652 OG SER A 44 -10.648 3.568 -15.382 1.00 0.14 O ATOM 0 H SER A 44 -11.581 2.670 -13.083 1.00 50.22 H new ATOM 0 HA SER A 44 -9.330 1.492 -14.334 1.00 22.51 H new ATOM 0 HB2 SER A 44 -9.976 4.392 -13.618 1.00 43.40 H new ATOM 0 HB3 SER A 44 -8.720 3.891 -14.733 1.00 43.40 H new ATOM 0 HG SER A 44 -11.552 3.610 -15.006 1.00 0.14 H new ATOM 658 N PHE A 45 -8.872 2.615 -11.316 1.00 11.15 N ATOM 659 CA PHE A 45 -7.899 2.667 -10.244 1.00 71.11 C ATOM 660 C PHE A 45 -7.486 1.253 -9.854 1.00 60.44 C ATOM 661 O PHE A 45 -6.325 0.993 -9.539 1.00 52.20 O ATOM 662 CB PHE A 45 -8.478 3.407 -9.036 1.00 3.32 C ATOM 663 CG PHE A 45 -7.456 3.737 -7.989 1.00 71.24 C ATOM 664 CD1 PHE A 45 -6.644 4.850 -8.129 1.00 33.23 C ATOM 665 CD2 PHE A 45 -7.306 2.937 -6.868 1.00 51.42 C ATOM 666 CE1 PHE A 45 -5.702 5.159 -7.170 1.00 23.43 C ATOM 667 CE2 PHE A 45 -6.364 3.241 -5.907 1.00 31.31 C ATOM 668 CZ PHE A 45 -5.559 4.353 -6.058 1.00 52.32 C ATOM 0 H PHE A 45 -9.830 2.826 -11.036 1.00 11.15 H new ATOM 0 HA PHE A 45 -7.019 3.210 -10.589 1.00 71.11 H new ATOM 0 HB2 PHE A 45 -8.948 4.329 -9.377 1.00 3.32 H new ATOM 0 HB3 PHE A 45 -9.262 2.796 -8.588 1.00 3.32 H new ATOM 0 HD1 PHE A 45 -6.749 5.483 -8.998 1.00 33.23 H new ATOM 0 HD2 PHE A 45 -7.933 2.066 -6.745 1.00 51.42 H new ATOM 0 HE1 PHE A 45 -5.076 6.031 -7.289 1.00 23.43 H new ATOM 0 HE2 PHE A 45 -6.256 2.610 -5.037 1.00 31.31 H new ATOM 0 HZ PHE A 45 -4.819 4.592 -5.308 1.00 52.32 H new ATOM 678 N MET A 46 -8.444 0.339 -9.919 1.00 21.04 N ATOM 679 CA MET A 46 -8.218 -1.051 -9.545 1.00 43.44 C ATOM 680 C MET A 46 -7.274 -1.742 -10.526 1.00 51.11 C ATOM 681 O MET A 46 -6.604 -2.714 -10.177 1.00 60.01 O ATOM 682 CB MET A 46 -9.557 -1.796 -9.480 1.00 44.15 C ATOM 683 CG MET A 46 -9.444 -3.238 -9.002 1.00 34.30 C ATOM 684 SD MET A 46 -8.614 -3.380 -7.406 1.00 63.02 S ATOM 685 CE MET A 46 -9.603 -2.272 -6.408 1.00 23.41 C ATOM 0 H MET A 46 -9.395 0.538 -10.231 1.00 21.04 H new ATOM 0 HA MET A 46 -7.748 -1.069 -8.562 1.00 43.44 H new ATOM 0 HB2 MET A 46 -10.229 -1.255 -8.814 1.00 44.15 H new ATOM 0 HB3 MET A 46 -10.014 -1.787 -10.470 1.00 44.15 H new ATOM 0 HG2 MET A 46 -10.442 -3.671 -8.928 1.00 34.30 H new ATOM 0 HG3 MET A 46 -8.898 -3.821 -9.744 1.00 34.30 H new ATOM 0 HE1 MET A 46 -9.616 -2.625 -5.377 1.00 23.41 H new ATOM 0 HE2 MET A 46 -9.175 -1.270 -6.443 1.00 23.41 H new ATOM 0 HE3 MET A 46 -10.622 -2.245 -6.795 1.00 23.41 H new ATOM 695 N THR A 47 -7.214 -1.226 -11.745 1.00 4.31 N ATOM 696 CA THR A 47 -6.391 -1.810 -12.795 1.00 41.44 C ATOM 697 C THR A 47 -4.925 -1.914 -12.368 1.00 34.11 C ATOM 698 O THR A 47 -4.313 -2.977 -12.486 1.00 34.01 O ATOM 699 CB THR A 47 -6.492 -0.972 -14.080 1.00 4.42 C ATOM 700 OG1 THR A 47 -7.847 -0.541 -14.266 1.00 24.14 O ATOM 701 CG2 THR A 47 -6.046 -1.777 -15.288 1.00 51.14 C ATOM 0 H THR A 47 -7.731 -0.395 -12.033 1.00 4.31 H new ATOM 0 HA THR A 47 -6.766 -2.816 -12.983 1.00 41.44 H new ATOM 0 HB THR A 47 -5.837 -0.106 -13.980 1.00 4.42 H new ATOM 0 HG1 THR A 47 -7.911 -0.005 -15.084 1.00 24.14 H new ATOM 0 HG21 THR A 47 -6.127 -1.163 -16.185 1.00 51.14 H new ATOM 0 HG22 THR A 47 -5.010 -2.090 -15.154 1.00 51.14 H new ATOM 0 HG23 THR A 47 -6.680 -2.657 -15.393 1.00 51.14 H new ATOM 709 N LYS A 48 -4.367 -0.823 -11.850 1.00 53.14 N ATOM 710 CA LYS A 48 -2.972 -0.832 -11.421 1.00 40.14 C ATOM 711 C LYS A 48 -2.804 -1.657 -10.148 1.00 55.52 C ATOM 712 O LYS A 48 -1.752 -2.259 -9.924 1.00 13.15 O ATOM 713 CB LYS A 48 -2.436 0.590 -11.203 1.00 51.52 C ATOM 714 CG LYS A 48 -3.110 1.352 -10.071 1.00 10.52 C ATOM 715 CD LYS A 48 -2.303 2.577 -9.671 1.00 65.42 C ATOM 716 CE LYS A 48 -2.945 3.321 -8.513 1.00 3.44 C ATOM 717 NZ LYS A 48 -2.086 4.436 -8.030 1.00 34.34 N ATOM 0 H LYS A 48 -4.851 0.065 -11.719 1.00 53.14 H new ATOM 0 HA LYS A 48 -2.390 -1.291 -12.220 1.00 40.14 H new ATOM 0 HB2 LYS A 48 -1.366 0.534 -11.000 1.00 51.52 H new ATOM 0 HB3 LYS A 48 -2.556 1.156 -12.127 1.00 51.52 H new ATOM 0 HG2 LYS A 48 -4.109 1.658 -10.380 1.00 10.52 H new ATOM 0 HG3 LYS A 48 -3.230 0.696 -9.209 1.00 10.52 H new ATOM 0 HD2 LYS A 48 -1.294 2.273 -9.393 1.00 65.42 H new ATOM 0 HD3 LYS A 48 -2.210 3.246 -10.526 1.00 65.42 H new ATOM 0 HE2 LYS A 48 -3.912 3.716 -8.826 1.00 3.44 H new ATOM 0 HE3 LYS A 48 -3.134 2.626 -7.694 1.00 3.44 H new ATOM 0 HZ1 LYS A 48 -2.612 5.003 -7.334 1.00 34.34 H new ATOM 0 HZ2 LYS A 48 -1.230 4.047 -7.585 1.00 34.34 H new ATOM 0 HZ3 LYS A 48 -1.815 5.038 -8.833 1.00 34.34 H new ATOM 731 N LEU A 49 -3.850 -1.693 -9.330 1.00 2.31 N ATOM 732 CA LEU A 49 -3.833 -2.460 -8.087 1.00 21.43 C ATOM 733 C LEU A 49 -3.622 -3.943 -8.376 1.00 43.22 C ATOM 734 O LEU A 49 -2.878 -4.623 -7.669 1.00 71.23 O ATOM 735 CB LEU A 49 -5.147 -2.262 -7.319 1.00 11.22 C ATOM 736 CG LEU A 49 -5.188 -1.084 -6.339 1.00 60.31 C ATOM 737 CD1 LEU A 49 -4.297 -1.358 -5.144 1.00 40.40 C ATOM 738 CD2 LEU A 49 -4.770 0.213 -7.014 1.00 23.42 C ATOM 0 H LEU A 49 -4.725 -1.198 -9.505 1.00 2.31 H new ATOM 0 HA LEU A 49 -3.006 -2.100 -7.475 1.00 21.43 H new ATOM 0 HB2 LEU A 49 -5.951 -2.133 -8.044 1.00 11.22 H new ATOM 0 HB3 LEU A 49 -5.361 -3.176 -6.765 1.00 11.22 H new ATOM 0 HG LEU A 49 -6.217 -0.972 -5.998 1.00 60.31 H new ATOM 0 HD11 LEU A 49 -4.338 -0.512 -4.458 1.00 40.40 H new ATOM 0 HD12 LEU A 49 -4.641 -2.257 -4.632 1.00 40.40 H new ATOM 0 HD13 LEU A 49 -3.271 -1.503 -5.481 1.00 40.40 H new ATOM 0 HD21 LEU A 49 -4.810 1.028 -6.292 1.00 23.42 H new ATOM 0 HD22 LEU A 49 -3.753 0.114 -7.394 1.00 23.42 H new ATOM 0 HD23 LEU A 49 -5.447 0.427 -7.841 1.00 23.42 H new ATOM 750 N LYS A 50 -4.273 -4.423 -9.431 1.00 41.33 N ATOM 751 CA LYS A 50 -4.167 -5.810 -9.856 1.00 74.04 C ATOM 752 C LYS A 50 -2.712 -6.227 -10.064 1.00 40.00 C ATOM 753 O LYS A 50 -2.261 -7.239 -9.522 1.00 51.35 O ATOM 754 CB LYS A 50 -4.964 -5.978 -11.143 1.00 64.54 C ATOM 755 CG LYS A 50 -6.460 -5.867 -10.934 1.00 72.31 C ATOM 756 CD LYS A 50 -7.136 -5.283 -12.157 1.00 0.35 C ATOM 757 CE LYS A 50 -8.636 -5.530 -12.148 1.00 14.44 C ATOM 758 NZ LYS A 50 -8.958 -6.980 -12.169 1.00 51.04 N ATOM 0 H LYS A 50 -4.890 -3.858 -10.015 1.00 41.33 H new ATOM 0 HA LYS A 50 -4.570 -6.456 -9.076 1.00 74.04 H new ATOM 0 HB2 LYS A 50 -4.646 -5.222 -11.861 1.00 64.54 H new ATOM 0 HB3 LYS A 50 -4.735 -6.950 -11.581 1.00 64.54 H new ATOM 0 HG2 LYS A 50 -6.875 -6.852 -10.720 1.00 72.31 H new ATOM 0 HG3 LYS A 50 -6.664 -5.239 -10.066 1.00 72.31 H new ATOM 0 HD2 LYS A 50 -6.945 -4.211 -12.200 1.00 0.35 H new ATOM 0 HD3 LYS A 50 -6.701 -5.721 -13.056 1.00 0.35 H new ATOM 0 HE2 LYS A 50 -9.074 -5.074 -11.260 1.00 14.44 H new ATOM 0 HE3 LYS A 50 -9.089 -5.045 -13.012 1.00 14.44 H new ATOM 0 HZ1 LYS A 50 -9.655 -7.170 -12.917 1.00 51.04 H new ATOM 0 HZ2 LYS A 50 -8.092 -7.525 -12.356 1.00 51.04 H new ATOM 0 HZ3 LYS A 50 -9.353 -7.261 -11.249 1.00 51.04 H new ATOM 772 N GLU A 51 -1.976 -5.436 -10.834 1.00 64.01 N ATOM 773 CA GLU A 51 -0.582 -5.748 -11.134 1.00 41.13 C ATOM 774 C GLU A 51 0.300 -5.590 -9.899 1.00 13.44 C ATOM 775 O GLU A 51 1.179 -6.414 -9.636 1.00 51.22 O ATOM 776 CB GLU A 51 -0.058 -4.845 -12.244 1.00 70.43 C ATOM 777 CG GLU A 51 -0.852 -4.939 -13.530 1.00 53.02 C ATOM 778 CD GLU A 51 -0.195 -4.187 -14.664 1.00 74.24 C ATOM 779 OE1 GLU A 51 -0.417 -2.967 -14.781 1.00 22.15 O ATOM 780 OE2 GLU A 51 0.557 -4.816 -15.436 1.00 43.11 O ATOM 0 H GLU A 51 -2.319 -4.576 -11.262 1.00 64.01 H new ATOM 0 HA GLU A 51 -0.544 -6.787 -11.461 1.00 41.13 H new ATOM 0 HB2 GLU A 51 -0.068 -3.812 -11.896 1.00 70.43 H new ATOM 0 HB3 GLU A 51 0.981 -5.102 -12.449 1.00 70.43 H new ATOM 0 HG2 GLU A 51 -0.966 -5.987 -13.809 1.00 53.02 H new ATOM 0 HG3 GLU A 51 -1.854 -4.542 -13.366 1.00 53.02 H new ATOM 787 N LEU A 52 0.057 -4.524 -9.150 1.00 23.10 N ATOM 788 CA LEU A 52 0.860 -4.211 -7.973 1.00 71.21 C ATOM 789 C LEU A 52 0.748 -5.301 -6.911 1.00 13.12 C ATOM 790 O LEU A 52 1.748 -5.686 -6.309 1.00 51.10 O ATOM 791 CB LEU A 52 0.445 -2.856 -7.394 1.00 74.34 C ATOM 792 CG LEU A 52 0.771 -1.648 -8.277 1.00 60.31 C ATOM 793 CD1 LEU A 52 0.256 -0.367 -7.643 1.00 73.42 C ATOM 794 CD2 LEU A 52 2.270 -1.553 -8.518 1.00 41.20 C ATOM 0 H LEU A 52 -0.693 -3.858 -9.336 1.00 23.10 H new ATOM 0 HA LEU A 52 1.903 -4.160 -8.285 1.00 71.21 H new ATOM 0 HB2 LEU A 52 -0.629 -2.871 -7.207 1.00 74.34 H new ATOM 0 HB3 LEU A 52 0.935 -2.725 -6.429 1.00 74.34 H new ATOM 0 HG LEU A 52 0.273 -1.782 -9.237 1.00 60.31 H new ATOM 0 HD11 LEU A 52 0.498 0.480 -8.286 1.00 73.42 H new ATOM 0 HD12 LEU A 52 -0.825 -0.432 -7.519 1.00 73.42 H new ATOM 0 HD13 LEU A 52 0.725 -0.229 -6.669 1.00 73.42 H new ATOM 0 HD21 LEU A 52 2.483 -0.689 -9.147 1.00 41.20 H new ATOM 0 HD22 LEU A 52 2.786 -1.443 -7.564 1.00 41.20 H new ATOM 0 HD23 LEU A 52 2.617 -2.459 -9.016 1.00 41.20 H new ATOM 806 N ALA A 53 -0.462 -5.808 -6.699 1.00 33.51 N ATOM 807 CA ALA A 53 -0.696 -6.848 -5.698 1.00 21.41 C ATOM 808 C ALA A 53 0.120 -8.100 -6.004 1.00 62.14 C ATOM 809 O ALA A 53 0.749 -8.679 -5.115 1.00 1.12 O ATOM 810 CB ALA A 53 -2.178 -7.187 -5.626 1.00 54.13 C ATOM 0 H ALA A 53 -1.298 -5.517 -7.206 1.00 33.51 H new ATOM 0 HA ALA A 53 -0.374 -6.464 -4.730 1.00 21.41 H new ATOM 0 HB1 ALA A 53 -2.338 -7.963 -4.877 1.00 54.13 H new ATOM 0 HB2 ALA A 53 -2.742 -6.296 -5.352 1.00 54.13 H new ATOM 0 HB3 ALA A 53 -2.517 -7.546 -6.598 1.00 54.13 H new ATOM 816 N ALA A 54 0.116 -8.502 -7.269 1.00 5.13 N ATOM 817 CA ALA A 54 0.851 -9.683 -7.698 1.00 33.34 C ATOM 818 C ALA A 54 2.351 -9.500 -7.489 1.00 52.42 C ATOM 819 O ALA A 54 3.025 -10.383 -6.960 1.00 54.01 O ATOM 820 CB ALA A 54 0.553 -9.989 -9.158 1.00 75.21 C ATOM 0 H ALA A 54 -0.389 -8.026 -8.016 1.00 5.13 H new ATOM 0 HA ALA A 54 0.525 -10.526 -7.088 1.00 33.34 H new ATOM 0 HB1 ALA A 54 1.109 -10.875 -9.465 1.00 75.21 H new ATOM 0 HB2 ALA A 54 -0.515 -10.171 -9.281 1.00 75.21 H new ATOM 0 HB3 ALA A 54 0.850 -9.141 -9.775 1.00 75.21 H new ATOM 826 N ALA A 55 2.859 -8.338 -7.882 1.00 65.44 N ATOM 827 CA ALA A 55 4.288 -8.050 -7.796 1.00 71.11 C ATOM 828 C ALA A 55 4.743 -7.901 -6.345 1.00 1.25 C ATOM 829 O ALA A 55 5.827 -8.355 -5.979 1.00 74.51 O ATOM 830 CB ALA A 55 4.618 -6.791 -8.585 1.00 51.31 C ATOM 0 H ALA A 55 2.300 -7.576 -8.265 1.00 65.44 H new ATOM 0 HA ALA A 55 4.826 -8.894 -8.228 1.00 71.11 H new ATOM 0 HB1 ALA A 55 5.686 -6.586 -8.513 1.00 51.31 H new ATOM 0 HB2 ALA A 55 4.345 -6.935 -9.630 1.00 51.31 H new ATOM 0 HB3 ALA A 55 4.059 -5.949 -8.177 1.00 51.31 H new ATOM 836 N ALA A 56 3.905 -7.268 -5.527 1.00 3.13 N ATOM 837 CA ALA A 56 4.222 -7.024 -4.121 1.00 54.41 C ATOM 838 C ALA A 56 4.490 -8.328 -3.376 1.00 30.44 C ATOM 839 O ALA A 56 5.467 -8.443 -2.630 1.00 42.42 O ATOM 840 CB ALA A 56 3.085 -6.268 -3.454 1.00 24.15 C ATOM 0 H ALA A 56 2.994 -6.912 -5.817 1.00 3.13 H new ATOM 0 HA ALA A 56 5.129 -6.421 -4.081 1.00 54.41 H new ATOM 0 HB1 ALA A 56 3.331 -6.091 -2.407 1.00 24.15 H new ATOM 0 HB2 ALA A 56 2.938 -5.313 -3.959 1.00 24.15 H new ATOM 0 HB3 ALA A 56 2.170 -6.857 -3.517 1.00 24.15 H new ATOM 846 N SER A 57 3.624 -9.311 -3.583 1.00 10.34 N ATOM 847 CA SER A 57 3.749 -10.583 -2.889 1.00 64.02 C ATOM 848 C SER A 57 4.673 -11.537 -3.640 1.00 52.45 C ATOM 849 O SER A 57 5.426 -12.298 -3.029 1.00 23.52 O ATOM 850 CB SER A 57 2.373 -11.219 -2.692 1.00 71.34 C ATOM 851 OG SER A 57 2.472 -12.421 -1.955 1.00 35.34 O ATOM 0 H SER A 57 2.832 -9.252 -4.223 1.00 10.34 H new ATOM 0 HA SER A 57 4.191 -10.389 -1.912 1.00 64.02 H new ATOM 0 HB2 SER A 57 1.717 -10.522 -2.171 1.00 71.34 H new ATOM 0 HB3 SER A 57 1.919 -11.419 -3.662 1.00 71.34 H new ATOM 0 HG SER A 57 3.040 -12.277 -1.170 1.00 35.34 H new ATOM 857 N SER A 58 4.596 -11.489 -4.967 1.00 22.23 N ATOM 858 CA SER A 58 5.413 -12.337 -5.842 1.00 43.12 C ATOM 859 C SER A 58 5.049 -13.819 -5.696 1.00 23.42 C ATOM 860 O SER A 58 5.686 -14.688 -6.285 1.00 11.21 O ATOM 861 CB SER A 58 6.900 -12.129 -5.545 1.00 5.21 C ATOM 862 OG SER A 58 7.244 -10.752 -5.612 1.00 14.05 O ATOM 0 H SER A 58 3.967 -10.863 -5.470 1.00 22.23 H new ATOM 0 HA SER A 58 5.207 -12.043 -6.871 1.00 43.12 H new ATOM 0 HB2 SER A 58 7.135 -12.519 -4.554 1.00 5.21 H new ATOM 0 HB3 SER A 58 7.500 -12.693 -6.260 1.00 5.21 H new ATOM 0 HG SER A 58 6.463 -10.233 -5.898 1.00 14.05 H new ATOM 868 N ALA A 59 4.005 -14.099 -4.929 1.00 13.25 N ATOM 869 CA ALA A 59 3.583 -15.470 -4.669 1.00 71.31 C ATOM 870 C ALA A 59 2.577 -15.941 -5.714 1.00 13.41 C ATOM 871 O ALA A 59 1.633 -16.669 -5.393 1.00 63.33 O ATOM 872 CB ALA A 59 2.985 -15.573 -3.273 1.00 2.23 C ATOM 0 H ALA A 59 3.431 -13.390 -4.473 1.00 13.25 H new ATOM 0 HA ALA A 59 4.458 -16.117 -4.730 1.00 71.31 H new ATOM 0 HB1 ALA A 59 2.672 -16.600 -3.086 1.00 2.23 H new ATOM 0 HB2 ALA A 59 3.732 -15.281 -2.535 1.00 2.23 H new ATOM 0 HB3 ALA A 59 2.122 -14.911 -3.197 1.00 2.23 H new ATOM 878 N ASP A 60 2.804 -15.533 -6.961 1.00 63.23 N ATOM 879 CA ASP A 60 1.924 -15.859 -8.090 1.00 34.23 C ATOM 880 C ASP A 60 0.555 -15.205 -7.945 1.00 4.24 C ATOM 881 O ASP A 60 0.254 -14.233 -8.635 1.00 51.14 O ATOM 882 CB ASP A 60 1.770 -17.374 -8.277 1.00 41.50 C ATOM 883 CG ASP A 60 3.031 -18.027 -8.805 1.00 41.23 C ATOM 884 OD1 ASP A 60 3.561 -17.562 -9.837 1.00 51.41 O ATOM 885 OD2 ASP A 60 3.506 -19.006 -8.192 1.00 34.41 O ATOM 0 H ASP A 60 3.608 -14.963 -7.222 1.00 63.23 H new ATOM 0 HA ASP A 60 2.404 -15.455 -8.982 1.00 34.23 H new ATOM 0 HB2 ASP A 60 1.502 -17.829 -7.323 1.00 41.50 H new ATOM 0 HB3 ASP A 60 0.948 -17.570 -8.966 1.00 41.50 H new ATOM 890 N GLU A 61 -0.267 -15.737 -7.049 1.00 34.34 N ATOM 891 CA GLU A 61 -1.599 -15.197 -6.812 1.00 61.24 C ATOM 892 C GLU A 61 -1.504 -13.791 -6.230 1.00 10.33 C ATOM 893 O GLU A 61 -2.284 -12.904 -6.579 1.00 42.51 O ATOM 894 CB GLU A 61 -2.376 -16.102 -5.855 1.00 10.12 C ATOM 895 CG GLU A 61 -2.518 -17.530 -6.350 1.00 71.51 C ATOM 896 CD GLU A 61 -3.198 -17.612 -7.697 1.00 42.33 C ATOM 897 OE1 GLU A 61 -4.443 -17.546 -7.745 1.00 33.32 O ATOM 898 OE2 GLU A 61 -2.488 -17.748 -8.720 1.00 10.44 O ATOM 0 H GLU A 61 -0.033 -16.545 -6.473 1.00 34.34 H new ATOM 0 HA GLU A 61 -2.127 -15.152 -7.764 1.00 61.24 H new ATOM 0 HB2 GLU A 61 -1.874 -16.110 -4.888 1.00 10.12 H new ATOM 0 HB3 GLU A 61 -3.369 -15.681 -5.696 1.00 10.12 H new ATOM 0 HG2 GLU A 61 -1.531 -17.988 -6.417 1.00 71.51 H new ATOM 0 HG3 GLU A 61 -3.089 -18.108 -5.623 1.00 71.51 H new ATOM 905 N GLY A 62 -0.529 -13.594 -5.352 1.00 40.23 N ATOM 906 CA GLY A 62 -0.322 -12.294 -4.753 1.00 53.30 C ATOM 907 C GLY A 62 -1.161 -12.098 -3.511 1.00 34.34 C ATOM 908 O GLY A 62 -0.763 -12.493 -2.414 1.00 15.35 O ATOM 0 H GLY A 62 0.123 -14.315 -5.044 1.00 40.23 H new ATOM 0 HA2 GLY A 62 0.732 -12.176 -4.500 1.00 53.30 H new ATOM 0 HA3 GLY A 62 -0.564 -11.518 -5.479 1.00 53.30 H new ATOM 912 N ALA A 63 -2.330 -11.510 -3.685 1.00 42.35 N ATOM 913 CA ALA A 63 -3.203 -11.211 -2.567 1.00 20.22 C ATOM 914 C ALA A 63 -4.659 -11.336 -2.973 1.00 45.01 C ATOM 915 O ALA A 63 -5.014 -11.060 -4.120 1.00 21.13 O ATOM 916 CB ALA A 63 -2.926 -9.810 -2.043 1.00 24.52 C ATOM 0 H ALA A 63 -2.697 -11.229 -4.594 1.00 42.35 H new ATOM 0 HA ALA A 63 -3.003 -11.932 -1.775 1.00 20.22 H new ATOM 0 HB1 ALA A 63 -3.588 -9.598 -1.204 1.00 24.52 H new ATOM 0 HB2 ALA A 63 -1.889 -9.743 -1.713 1.00 24.52 H new ATOM 0 HB3 ALA A 63 -3.102 -9.083 -2.836 1.00 24.52 H new ATOM 922 N SER A 64 -5.489 -11.773 -2.041 1.00 63.51 N ATOM 923 CA SER A 64 -6.924 -11.811 -2.258 1.00 53.03 C ATOM 924 C SER A 64 -7.480 -10.395 -2.206 1.00 60.52 C ATOM 925 O SER A 64 -7.301 -9.689 -1.213 1.00 23.42 O ATOM 926 CB SER A 64 -7.592 -12.685 -1.198 1.00 50.21 C ATOM 927 OG SER A 64 -7.051 -13.994 -1.213 1.00 12.21 O ATOM 0 H SER A 64 -5.192 -12.107 -1.124 1.00 63.51 H new ATOM 0 HA SER A 64 -7.132 -12.240 -3.238 1.00 53.03 H new ATOM 0 HB2 SER A 64 -7.453 -12.240 -0.213 1.00 50.21 H new ATOM 0 HB3 SER A 64 -8.666 -12.728 -1.379 1.00 50.21 H new ATOM 0 HG SER A 64 -7.491 -14.538 -0.526 1.00 12.21 H new ATOM 933 N VAL A 65 -8.146 -9.976 -3.267 1.00 14.45 N ATOM 934 CA VAL A 65 -8.625 -8.611 -3.357 1.00 3.31 C ATOM 935 C VAL A 65 -10.119 -8.526 -3.066 1.00 73.30 C ATOM 936 O VAL A 65 -10.949 -9.105 -3.770 1.00 12.13 O ATOM 937 CB VAL A 65 -8.309 -7.979 -4.735 1.00 32.32 C ATOM 938 CG1 VAL A 65 -8.825 -8.839 -5.880 1.00 15.50 C ATOM 939 CG2 VAL A 65 -8.879 -6.570 -4.826 1.00 21.11 C ATOM 0 H VAL A 65 -8.366 -10.559 -4.074 1.00 14.45 H new ATOM 0 HA VAL A 65 -8.093 -8.040 -2.596 1.00 3.31 H new ATOM 0 HB VAL A 65 -7.224 -7.923 -4.827 1.00 32.32 H new ATOM 0 HG11 VAL A 65 -8.584 -8.362 -6.830 1.00 15.50 H new ATOM 0 HG12 VAL A 65 -8.355 -9.822 -5.837 1.00 15.50 H new ATOM 0 HG13 VAL A 65 -9.906 -8.950 -5.793 1.00 15.50 H new ATOM 0 HG21 VAL A 65 -8.645 -6.145 -5.802 1.00 21.11 H new ATOM 0 HG22 VAL A 65 -9.961 -6.606 -4.696 1.00 21.11 H new ATOM 0 HG23 VAL A 65 -8.440 -5.949 -4.045 1.00 21.11 H new ATOM 949 N ALA A 66 -10.448 -7.824 -1.999 1.00 25.12 N ATOM 950 CA ALA A 66 -11.827 -7.521 -1.677 1.00 32.21 C ATOM 951 C ALA A 66 -12.054 -6.026 -1.826 1.00 71.04 C ATOM 952 O ALA A 66 -11.725 -5.245 -0.932 1.00 32.34 O ATOM 953 CB ALA A 66 -12.167 -7.984 -0.270 1.00 73.11 C ATOM 0 H ALA A 66 -9.770 -7.450 -1.335 1.00 25.12 H new ATOM 0 HA ALA A 66 -12.484 -8.054 -2.364 1.00 32.21 H new ATOM 0 HB1 ALA A 66 -13.208 -7.746 -0.050 1.00 73.11 H new ATOM 0 HB2 ALA A 66 -12.018 -9.061 -0.195 1.00 73.11 H new ATOM 0 HB3 ALA A 66 -11.520 -7.477 0.446 1.00 73.11 H new ATOM 959 N TYR A 67 -12.574 -5.625 -2.972 1.00 72.24 N ATOM 960 CA TYR A 67 -12.753 -4.215 -3.258 1.00 54.33 C ATOM 961 C TYR A 67 -14.222 -3.837 -3.256 1.00 5.21 C ATOM 962 O TYR A 67 -15.059 -4.524 -3.840 1.00 42.00 O ATOM 963 CB TYR A 67 -12.096 -3.833 -4.593 1.00 13.40 C ATOM 964 CG TYR A 67 -12.579 -4.619 -5.798 1.00 45.14 C ATOM 965 CD1 TYR A 67 -13.667 -4.187 -6.549 1.00 51.44 C ATOM 966 CD2 TYR A 67 -11.938 -5.789 -6.189 1.00 51.34 C ATOM 967 CE1 TYR A 67 -14.100 -4.897 -7.650 1.00 40.21 C ATOM 968 CE2 TYR A 67 -12.366 -6.505 -7.288 1.00 20.00 C ATOM 969 CZ TYR A 67 -13.447 -6.056 -8.016 1.00 71.42 C ATOM 970 OH TYR A 67 -13.875 -6.765 -9.117 1.00 24.13 O ATOM 0 H TYR A 67 -12.878 -6.253 -3.716 1.00 72.24 H new ATOM 0 HA TYR A 67 -12.259 -3.653 -2.465 1.00 54.33 H new ATOM 0 HB2 TYR A 67 -12.272 -2.773 -4.776 1.00 13.40 H new ATOM 0 HB3 TYR A 67 -11.018 -3.966 -4.501 1.00 13.40 H new ATOM 0 HD1 TYR A 67 -14.182 -3.281 -6.266 1.00 51.44 H new ATOM 0 HD2 TYR A 67 -11.090 -6.144 -5.622 1.00 51.34 H new ATOM 0 HE1 TYR A 67 -14.946 -4.547 -8.223 1.00 40.21 H new ATOM 0 HE2 TYR A 67 -11.857 -7.413 -7.576 1.00 20.00 H new ATOM 0 HH TYR A 67 -13.307 -7.555 -9.238 1.00 24.13 H new ATOM 980 N LYS A 68 -14.528 -2.755 -2.573 1.00 50.40 N ATOM 981 CA LYS A 68 -15.873 -2.226 -2.541 1.00 3.23 C ATOM 982 C LYS A 68 -15.948 -0.937 -3.326 1.00 61.12 C ATOM 983 O LYS A 68 -15.087 -0.065 -3.208 1.00 42.12 O ATOM 984 CB LYS A 68 -16.329 -1.976 -1.110 1.00 21.15 C ATOM 985 CG LYS A 68 -16.488 -3.242 -0.302 1.00 33.22 C ATOM 986 CD LYS A 68 -16.563 -2.938 1.183 1.00 14.12 C ATOM 987 CE LYS A 68 -16.683 -4.205 2.011 1.00 13.03 C ATOM 988 NZ LYS A 68 -16.656 -3.906 3.465 1.00 54.33 N ATOM 0 H LYS A 68 -13.854 -2.219 -2.026 1.00 50.40 H new ATOM 0 HA LYS A 68 -16.533 -2.966 -2.993 1.00 3.23 H new ATOM 0 HB2 LYS A 68 -15.608 -1.326 -0.615 1.00 21.15 H new ATOM 0 HB3 LYS A 68 -17.280 -1.443 -1.127 1.00 21.15 H new ATOM 0 HG2 LYS A 68 -17.391 -3.766 -0.615 1.00 33.22 H new ATOM 0 HG3 LYS A 68 -15.649 -3.909 -0.498 1.00 33.22 H new ATOM 0 HD2 LYS A 68 -15.673 -2.388 1.487 1.00 14.12 H new ATOM 0 HD3 LYS A 68 -17.419 -2.293 1.379 1.00 14.12 H new ATOM 0 HE2 LYS A 68 -17.611 -4.719 1.761 1.00 13.03 H new ATOM 0 HE3 LYS A 68 -15.867 -4.883 1.762 1.00 13.03 H new ATOM 0 HZ1 LYS A 68 -16.740 -4.792 4.003 1.00 54.33 H new ATOM 0 HZ2 LYS A 68 -15.759 -3.438 3.707 1.00 54.33 H new ATOM 0 HZ3 LYS A 68 -17.450 -3.279 3.705 1.00 54.33 H new ATOM 1002 N ILE A 69 -16.979 -0.836 -4.126 1.00 21.40 N ATOM 1003 CA ILE A 69 -17.233 0.358 -4.914 1.00 1.22 C ATOM 1004 C ILE A 69 -18.684 0.763 -4.740 1.00 63.33 C ATOM 1005 O ILE A 69 -19.584 0.126 -5.286 1.00 65.14 O ATOM 1006 CB ILE A 69 -16.940 0.134 -6.414 1.00 10.42 C ATOM 1007 CG1 ILE A 69 -15.511 -0.383 -6.606 1.00 3.44 C ATOM 1008 CG2 ILE A 69 -17.147 1.428 -7.192 1.00 42.42 C ATOM 1009 CD1 ILE A 69 -15.167 -0.727 -8.039 1.00 25.02 C ATOM 0 H ILE A 69 -17.670 -1.575 -4.254 1.00 21.40 H new ATOM 0 HA ILE A 69 -16.567 1.145 -4.561 1.00 1.22 H new ATOM 0 HB ILE A 69 -17.633 -0.615 -6.797 1.00 10.42 H new ATOM 0 HG12 ILE A 69 -14.811 0.372 -6.247 1.00 3.44 H new ATOM 0 HG13 ILE A 69 -15.370 -1.269 -5.987 1.00 3.44 H new ATOM 0 HG21 ILE A 69 -16.937 1.255 -8.248 1.00 42.42 H new ATOM 0 HG22 ILE A 69 -18.179 1.761 -7.077 1.00 42.42 H new ATOM 0 HG23 ILE A 69 -16.474 2.195 -6.809 1.00 42.42 H new ATOM 0 HD11 ILE A 69 -14.139 -1.085 -8.090 1.00 25.02 H new ATOM 0 HD12 ILE A 69 -15.841 -1.505 -8.398 1.00 25.02 H new ATOM 0 HD13 ILE A 69 -15.273 0.161 -8.662 1.00 25.02 H new ATOM 1021 N LYS A 70 -18.917 1.800 -3.956 1.00 12.22 N ATOM 1022 CA LYS A 70 -20.276 2.222 -3.676 1.00 24.11 C ATOM 1023 C LYS A 70 -20.659 3.379 -4.567 1.00 13.45 C ATOM 1024 O LYS A 70 -20.047 4.448 -4.519 1.00 25.22 O ATOM 1025 CB LYS A 70 -20.438 2.611 -2.209 1.00 43.30 C ATOM 1026 CG LYS A 70 -21.883 2.840 -1.779 1.00 63.33 C ATOM 1027 CD LYS A 70 -22.681 1.541 -1.798 1.00 12.42 C ATOM 1028 CE LYS A 70 -24.067 1.716 -1.186 1.00 41.01 C ATOM 1029 NZ LYS A 70 -24.944 2.590 -2.010 1.00 52.55 N ATOM 0 H LYS A 70 -18.192 2.359 -3.507 1.00 12.22 H new ATOM 0 HA LYS A 70 -20.940 1.382 -3.881 1.00 24.11 H new ATOM 0 HB2 LYS A 70 -20.005 1.827 -1.587 1.00 43.30 H new ATOM 0 HB3 LYS A 70 -19.866 3.520 -2.020 1.00 43.30 H new ATOM 0 HG2 LYS A 70 -21.903 3.266 -0.776 1.00 63.33 H new ATOM 0 HG3 LYS A 70 -22.351 3.566 -2.443 1.00 63.33 H new ATOM 0 HD2 LYS A 70 -22.779 1.190 -2.825 1.00 12.42 H new ATOM 0 HD3 LYS A 70 -22.136 0.772 -1.250 1.00 12.42 H new ATOM 0 HE2 LYS A 70 -24.537 0.739 -1.071 1.00 41.01 H new ATOM 0 HE3 LYS A 70 -23.969 2.142 -0.187 1.00 41.01 H new ATOM 0 HZ1 LYS A 70 -25.874 2.678 -1.553 1.00 52.55 H new ATOM 0 HZ2 LYS A 70 -24.511 3.531 -2.099 1.00 52.55 H new ATOM 0 HZ3 LYS A 70 -25.061 2.172 -2.955 1.00 52.55 H new ATOM 1043 N ASP A 71 -21.661 3.145 -5.388 1.00 42.45 N ATOM 1044 CA ASP A 71 -22.186 4.170 -6.268 1.00 61.34 C ATOM 1045 C ASP A 71 -22.960 5.190 -5.449 1.00 64.14 C ATOM 1046 O ASP A 71 -24.085 4.932 -5.020 1.00 24.04 O ATOM 1047 CB ASP A 71 -23.097 3.556 -7.338 1.00 21.45 C ATOM 1048 CG ASP A 71 -22.358 2.649 -8.304 1.00 25.21 C ATOM 1049 OD1 ASP A 71 -21.764 3.160 -9.279 1.00 64.21 O ATOM 1050 OD2 ASP A 71 -22.388 1.412 -8.101 1.00 42.20 O ATOM 0 H ASP A 71 -22.133 2.244 -5.465 1.00 42.45 H new ATOM 0 HA ASP A 71 -21.353 4.661 -6.772 1.00 61.34 H new ATOM 0 HB2 ASP A 71 -23.888 2.988 -6.849 1.00 21.45 H new ATOM 0 HB3 ASP A 71 -23.579 4.357 -7.898 1.00 21.45 H new ATOM 1055 N LEU A 72 -22.335 6.327 -5.201 1.00 33.00 N ATOM 1056 CA LEU A 72 -22.943 7.376 -4.399 1.00 21.01 C ATOM 1057 C LEU A 72 -23.612 8.389 -5.312 1.00 44.33 C ATOM 1058 O LEU A 72 -23.692 8.184 -6.524 1.00 60.24 O ATOM 1059 CB LEU A 72 -21.880 8.064 -3.533 1.00 74.14 C ATOM 1060 CG LEU A 72 -21.067 7.130 -2.634 1.00 35.14 C ATOM 1061 CD1 LEU A 72 -19.847 7.848 -2.080 1.00 44.40 C ATOM 1062 CD2 LEU A 72 -21.927 6.597 -1.500 1.00 43.24 C ATOM 0 H LEU A 72 -21.401 6.549 -5.545 1.00 33.00 H new ATOM 0 HA LEU A 72 -23.693 6.936 -3.742 1.00 21.01 H new ATOM 0 HB2 LEU A 72 -21.193 8.601 -4.187 1.00 74.14 H new ATOM 0 HB3 LEU A 72 -22.371 8.809 -2.906 1.00 74.14 H new ATOM 0 HG LEU A 72 -20.728 6.287 -3.236 1.00 35.14 H new ATOM 0 HD11 LEU A 72 -19.282 7.167 -1.443 1.00 44.40 H new ATOM 0 HD12 LEU A 72 -19.216 8.182 -2.904 1.00 44.40 H new ATOM 0 HD13 LEU A 72 -20.167 8.710 -1.495 1.00 44.40 H new ATOM 0 HD21 LEU A 72 -21.331 5.935 -0.872 1.00 43.24 H new ATOM 0 HD22 LEU A 72 -22.297 7.430 -0.901 1.00 43.24 H new ATOM 0 HD23 LEU A 72 -22.771 6.044 -1.912 1.00 43.24 H new ATOM 1074 N GLU A 73 -24.081 9.485 -4.740 1.00 51.01 N ATOM 1075 CA GLU A 73 -24.747 10.514 -5.518 1.00 32.15 C ATOM 1076 C GLU A 73 -23.751 11.590 -5.937 1.00 12.12 C ATOM 1077 O GLU A 73 -23.405 12.478 -5.153 1.00 61.43 O ATOM 1078 CB GLU A 73 -25.889 11.131 -4.714 1.00 33.52 C ATOM 1079 CG GLU A 73 -26.775 12.053 -5.528 1.00 32.03 C ATOM 1080 CD GLU A 73 -27.815 12.743 -4.680 1.00 62.55 C ATOM 1081 OE1 GLU A 73 -28.838 12.103 -4.349 1.00 60.31 O ATOM 1082 OE2 GLU A 73 -27.617 13.925 -4.350 1.00 23.24 O ATOM 0 H GLU A 73 -24.013 9.684 -3.742 1.00 51.01 H new ATOM 0 HA GLU A 73 -25.162 10.057 -6.416 1.00 32.15 H new ATOM 0 HB2 GLU A 73 -26.499 10.332 -4.294 1.00 33.52 H new ATOM 0 HB3 GLU A 73 -25.472 11.688 -3.875 1.00 33.52 H new ATOM 0 HG2 GLU A 73 -26.158 12.802 -6.024 1.00 32.03 H new ATOM 0 HG3 GLU A 73 -27.270 11.479 -6.311 1.00 32.03 H new ATOM 1089 N GLY A 74 -23.273 11.490 -7.169 1.00 42.24 N ATOM 1090 CA GLY A 74 -22.343 12.475 -7.687 1.00 31.20 C ATOM 1091 C GLY A 74 -20.896 12.031 -7.581 1.00 3.13 C ATOM 1092 O GLY A 74 -19.995 12.727 -8.047 1.00 13.00 O ATOM 0 H GLY A 74 -23.513 10.743 -7.821 1.00 42.24 H new ATOM 0 HA2 GLY A 74 -22.580 12.678 -8.731 1.00 31.20 H new ATOM 0 HA3 GLY A 74 -22.472 13.411 -7.143 1.00 31.20 H new ATOM 1096 N GLN A 75 -20.677 10.874 -6.968 1.00 0.12 N ATOM 1097 CA GLN A 75 -19.333 10.331 -6.786 1.00 60.15 C ATOM 1098 C GLN A 75 -19.415 8.888 -6.314 1.00 61.14 C ATOM 1099 O GLN A 75 -20.505 8.351 -6.145 1.00 23.33 O ATOM 1100 CB GLN A 75 -18.536 11.168 -5.777 1.00 51.13 C ATOM 1101 CG GLN A 75 -19.226 11.339 -4.430 1.00 22.13 C ATOM 1102 CD GLN A 75 -18.357 12.067 -3.423 1.00 23.21 C ATOM 1103 OE1 GLN A 75 -17.503 12.875 -3.791 1.00 70.24 O ATOM 1104 NE2 GLN A 75 -18.576 11.801 -2.142 1.00 3.34 N ATOM 0 H GLN A 75 -21.419 10.288 -6.585 1.00 0.12 H new ATOM 0 HA GLN A 75 -18.816 10.367 -7.745 1.00 60.15 H new ATOM 0 HB2 GLN A 75 -17.565 10.699 -5.619 1.00 51.13 H new ATOM 0 HB3 GLN A 75 -18.349 12.153 -6.205 1.00 51.13 H new ATOM 0 HG2 GLN A 75 -20.156 11.890 -4.569 1.00 22.13 H new ATOM 0 HG3 GLN A 75 -19.492 10.359 -4.034 1.00 22.13 H new ATOM 0 HE21 GLN A 75 -19.293 11.125 -1.877 1.00 3.34 H new ATOM 0 HE22 GLN A 75 -18.028 12.272 -1.422 1.00 3.34 H new ATOM 1113 N VAL A 76 -18.266 8.255 -6.122 1.00 63.53 N ATOM 1114 CA VAL A 76 -18.216 6.893 -5.598 1.00 21.53 C ATOM 1115 C VAL A 76 -17.077 6.750 -4.600 1.00 34.41 C ATOM 1116 O VAL A 76 -16.172 7.582 -4.560 1.00 72.01 O ATOM 1117 CB VAL A 76 -18.015 5.838 -6.710 1.00 63.15 C ATOM 1118 CG1 VAL A 76 -19.181 5.837 -7.687 1.00 22.23 C ATOM 1119 CG2 VAL A 76 -16.701 6.071 -7.436 1.00 3.20 C ATOM 0 H VAL A 76 -17.352 8.662 -6.321 1.00 63.53 H new ATOM 0 HA VAL A 76 -19.178 6.715 -5.117 1.00 21.53 H new ATOM 0 HB VAL A 76 -17.978 4.856 -6.239 1.00 63.15 H new ATOM 0 HG11 VAL A 76 -19.010 5.085 -8.457 1.00 22.23 H new ATOM 0 HG12 VAL A 76 -20.103 5.607 -7.153 1.00 22.23 H new ATOM 0 HG13 VAL A 76 -19.267 6.819 -8.152 1.00 22.23 H new ATOM 0 HG21 VAL A 76 -16.577 5.319 -8.215 1.00 3.20 H new ATOM 0 HG22 VAL A 76 -16.706 7.063 -7.887 1.00 3.20 H new ATOM 0 HG23 VAL A 76 -15.876 5.999 -6.727 1.00 3.20 H new ATOM 1129 N GLU A 77 -17.122 5.697 -3.800 1.00 3.14 N ATOM 1130 CA GLU A 77 -16.029 5.392 -2.890 1.00 32.30 C ATOM 1131 C GLU A 77 -15.365 4.082 -3.288 1.00 35.24 C ATOM 1132 O GLU A 77 -16.025 3.043 -3.381 1.00 51.12 O ATOM 1133 CB GLU A 77 -16.519 5.315 -1.439 1.00 1.45 C ATOM 1134 CG GLU A 77 -15.409 4.985 -0.445 1.00 52.31 C ATOM 1135 CD GLU A 77 -15.897 4.917 0.987 1.00 61.43 C ATOM 1136 OE1 GLU A 77 -16.838 4.140 1.258 1.00 71.43 O ATOM 1137 OE2 GLU A 77 -15.335 5.626 1.851 1.00 63.23 O ATOM 0 H GLU A 77 -17.902 5.040 -3.762 1.00 3.14 H new ATOM 0 HA GLU A 77 -15.299 6.199 -2.958 1.00 32.30 H new ATOM 0 HB2 GLU A 77 -16.972 6.268 -1.164 1.00 1.45 H new ATOM 0 HB3 GLU A 77 -17.300 4.558 -1.366 1.00 1.45 H new ATOM 0 HG2 GLU A 77 -14.959 4.030 -0.715 1.00 52.31 H new ATOM 0 HG3 GLU A 77 -14.625 5.739 -0.520 1.00 52.31 H new ATOM 1144 N LEU A 78 -14.064 4.145 -3.540 1.00 72.04 N ATOM 1145 CA LEU A 78 -13.279 2.968 -3.869 1.00 2.52 C ATOM 1146 C LEU A 78 -12.521 2.519 -2.627 1.00 51.12 C ATOM 1147 O LEU A 78 -11.690 3.257 -2.095 1.00 2.20 O ATOM 1148 CB LEU A 78 -12.313 3.285 -5.031 1.00 13.31 C ATOM 1149 CG LEU A 78 -11.489 2.113 -5.605 1.00 0.23 C ATOM 1150 CD1 LEU A 78 -10.294 1.786 -4.722 1.00 72.00 C ATOM 1151 CD2 LEU A 78 -12.360 0.881 -5.790 1.00 4.42 C ATOM 0 H LEU A 78 -13.527 5.012 -3.522 1.00 72.04 H new ATOM 0 HA LEU A 78 -13.933 2.159 -4.194 1.00 2.52 H new ATOM 0 HB2 LEU A 78 -12.894 3.719 -5.844 1.00 13.31 H new ATOM 0 HB3 LEU A 78 -11.617 4.052 -4.692 1.00 13.31 H new ATOM 0 HG LEU A 78 -11.112 2.425 -6.579 1.00 0.23 H new ATOM 0 HD11 LEU A 78 -9.737 0.956 -5.157 1.00 72.00 H new ATOM 0 HD12 LEU A 78 -9.646 2.659 -4.649 1.00 72.00 H new ATOM 0 HD13 LEU A 78 -10.642 1.508 -3.727 1.00 72.00 H new ATOM 0 HD21 LEU A 78 -11.758 0.068 -6.196 1.00 4.42 H new ATOM 0 HD22 LEU A 78 -12.775 0.581 -4.828 1.00 4.42 H new ATOM 0 HD23 LEU A 78 -13.172 1.110 -6.480 1.00 4.42 H new ATOM 1163 N ASP A 79 -12.836 1.327 -2.160 1.00 64.11 N ATOM 1164 CA ASP A 79 -12.185 0.769 -0.983 1.00 50.34 C ATOM 1165 C ASP A 79 -11.675 -0.629 -1.278 1.00 3.41 C ATOM 1166 O ASP A 79 -12.453 -1.563 -1.451 1.00 2.24 O ATOM 1167 CB ASP A 79 -13.150 0.738 0.200 1.00 14.14 C ATOM 1168 CG ASP A 79 -12.540 0.095 1.430 1.00 44.05 C ATOM 1169 OD1 ASP A 79 -11.464 0.541 1.870 1.00 32.53 O ATOM 1170 OD2 ASP A 79 -13.140 -0.856 1.973 1.00 43.23 O ATOM 0 H ASP A 79 -13.542 0.721 -2.578 1.00 64.11 H new ATOM 0 HA ASP A 79 -11.339 1.405 -0.723 1.00 50.34 H new ATOM 0 HB2 ASP A 79 -13.458 1.756 0.441 1.00 14.14 H new ATOM 0 HB3 ASP A 79 -14.050 0.192 -0.083 1.00 14.14 H new ATOM 1175 N ALA A 80 -10.366 -0.765 -1.347 1.00 64.53 N ATOM 1176 CA ALA A 80 -9.754 -2.035 -1.686 1.00 44.14 C ATOM 1177 C ALA A 80 -9.038 -2.636 -0.486 1.00 55.50 C ATOM 1178 O ALA A 80 -8.180 -1.994 0.120 1.00 43.41 O ATOM 1179 CB ALA A 80 -8.788 -1.855 -2.844 1.00 33.41 C ATOM 0 H ALA A 80 -9.703 -0.009 -1.172 1.00 64.53 H new ATOM 0 HA ALA A 80 -10.543 -2.725 -1.986 1.00 44.14 H new ATOM 0 HB1 ALA A 80 -8.333 -2.814 -3.091 1.00 33.41 H new ATOM 0 HB2 ALA A 80 -9.327 -1.475 -3.712 1.00 33.41 H new ATOM 0 HB3 ALA A 80 -8.009 -1.147 -2.561 1.00 33.41 H new ATOM 1185 N ALA A 81 -9.405 -3.861 -0.144 1.00 23.33 N ATOM 1186 CA ALA A 81 -8.753 -4.589 0.929 1.00 35.10 C ATOM 1187 C ALA A 81 -8.094 -5.857 0.395 1.00 50.24 C ATOM 1188 O ALA A 81 -8.774 -6.812 0.020 1.00 73.31 O ATOM 1189 CB ALA A 81 -9.753 -4.928 2.023 1.00 2.34 C ATOM 0 H ALA A 81 -10.159 -4.375 -0.600 1.00 23.33 H new ATOM 0 HA ALA A 81 -7.976 -3.953 1.354 1.00 35.10 H new ATOM 0 HB1 ALA A 81 -9.249 -5.474 2.820 1.00 2.34 H new ATOM 0 HB2 ALA A 81 -10.178 -4.008 2.425 1.00 2.34 H new ATOM 0 HB3 ALA A 81 -10.550 -5.545 1.609 1.00 2.34 H new ATOM 1195 N PHE A 82 -6.771 -5.854 0.349 1.00 62.14 N ATOM 1196 CA PHE A 82 -6.011 -7.000 -0.145 1.00 34.14 C ATOM 1197 C PHE A 82 -5.488 -7.836 1.012 1.00 54.21 C ATOM 1198 O PHE A 82 -4.906 -7.302 1.952 1.00 52.45 O ATOM 1199 CB PHE A 82 -4.826 -6.536 -1.001 1.00 11.33 C ATOM 1200 CG PHE A 82 -5.210 -5.876 -2.291 1.00 14.30 C ATOM 1201 CD1 PHE A 82 -5.680 -4.573 -2.309 1.00 52.52 C ATOM 1202 CD2 PHE A 82 -5.085 -6.556 -3.491 1.00 42.12 C ATOM 1203 CE1 PHE A 82 -6.021 -3.963 -3.498 1.00 5.13 C ATOM 1204 CE2 PHE A 82 -5.425 -5.950 -4.685 1.00 62.41 C ATOM 1205 CZ PHE A 82 -5.894 -4.651 -4.687 1.00 34.42 C ATOM 0 H PHE A 82 -6.195 -5.067 0.649 1.00 62.14 H new ATOM 0 HA PHE A 82 -6.683 -7.605 -0.754 1.00 34.14 H new ATOM 0 HB2 PHE A 82 -4.223 -5.840 -0.417 1.00 11.33 H new ATOM 0 HB3 PHE A 82 -4.195 -7.397 -1.222 1.00 11.33 H new ATOM 0 HD1 PHE A 82 -5.781 -4.029 -1.382 1.00 52.52 H new ATOM 0 HD2 PHE A 82 -4.718 -7.572 -3.493 1.00 42.12 H new ATOM 0 HE1 PHE A 82 -6.387 -2.947 -3.498 1.00 5.13 H new ATOM 0 HE2 PHE A 82 -5.324 -6.491 -5.614 1.00 62.41 H new ATOM 0 HZ PHE A 82 -6.161 -4.174 -5.619 1.00 34.42 H new ATOM 1215 N THR A 83 -5.697 -9.141 0.944 1.00 62.11 N ATOM 1216 CA THR A 83 -5.165 -10.050 1.947 1.00 40.25 C ATOM 1217 C THR A 83 -3.844 -10.648 1.466 1.00 41.13 C ATOM 1218 O THR A 83 -3.832 -11.505 0.582 1.00 25.02 O ATOM 1219 CB THR A 83 -6.153 -11.192 2.258 1.00 51.13 C ATOM 1220 OG1 THR A 83 -7.432 -10.653 2.612 1.00 31.24 O ATOM 1221 CG2 THR A 83 -5.640 -12.066 3.397 1.00 12.34 C ATOM 0 H THR A 83 -6.232 -9.595 0.204 1.00 62.11 H new ATOM 0 HA THR A 83 -5.004 -9.474 2.858 1.00 40.25 H new ATOM 0 HB THR A 83 -6.248 -11.806 1.363 1.00 51.13 H new ATOM 0 HG1 THR A 83 -8.053 -11.386 2.806 1.00 31.24 H new ATOM 0 HG21 THR A 83 -6.357 -12.863 3.595 1.00 12.34 H new ATOM 0 HG22 THR A 83 -4.681 -12.502 3.118 1.00 12.34 H new ATOM 0 HG23 THR A 83 -5.516 -11.459 4.294 1.00 12.34 H new ATOM 1229 N PHE A 84 -2.741 -10.167 2.029 1.00 11.20 N ATOM 1230 CA PHE A 84 -1.416 -10.665 1.674 1.00 44.21 C ATOM 1231 C PHE A 84 -0.996 -11.800 2.601 1.00 2.43 C ATOM 1232 O PHE A 84 -1.753 -12.199 3.490 1.00 41.32 O ATOM 1233 CB PHE A 84 -0.381 -9.537 1.728 1.00 12.30 C ATOM 1234 CG PHE A 84 -0.447 -8.606 0.551 1.00 3.33 C ATOM 1235 CD1 PHE A 84 0.261 -8.890 -0.607 1.00 65.23 C ATOM 1236 CD2 PHE A 84 -1.211 -7.454 0.599 1.00 55.52 C ATOM 1237 CE1 PHE A 84 0.207 -8.041 -1.694 1.00 44.33 C ATOM 1238 CE2 PHE A 84 -1.268 -6.602 -0.486 1.00 13.41 C ATOM 1239 CZ PHE A 84 -0.559 -6.895 -1.634 1.00 70.51 C ATOM 0 H PHE A 84 -2.738 -9.431 2.735 1.00 11.20 H new ATOM 0 HA PHE A 84 -1.466 -11.048 0.655 1.00 44.21 H new ATOM 0 HB2 PHE A 84 -0.528 -8.964 2.643 1.00 12.30 H new ATOM 0 HB3 PHE A 84 0.617 -9.972 1.781 1.00 12.30 H new ATOM 0 HD1 PHE A 84 0.862 -9.786 -0.659 1.00 65.23 H new ATOM 0 HD2 PHE A 84 -1.768 -7.219 1.494 1.00 55.52 H new ATOM 0 HE1 PHE A 84 0.763 -8.273 -2.590 1.00 44.33 H new ATOM 0 HE2 PHE A 84 -1.868 -5.705 -0.437 1.00 13.41 H new ATOM 0 HZ PHE A 84 -0.604 -6.229 -2.483 1.00 70.51 H new ATOM 1249 N SER A 85 0.216 -12.306 2.405 1.00 62.45 N ATOM 1250 CA SER A 85 0.703 -13.436 3.180 1.00 52.44 C ATOM 1251 C SER A 85 1.670 -12.975 4.267 1.00 71.33 C ATOM 1252 O SER A 85 1.755 -13.572 5.340 1.00 43.41 O ATOM 1253 CB SER A 85 1.385 -14.453 2.256 1.00 3.22 C ATOM 1254 OG SER A 85 2.519 -13.894 1.601 1.00 32.23 O ATOM 0 H SER A 85 0.878 -11.950 1.715 1.00 62.45 H new ATOM 0 HA SER A 85 -0.149 -13.913 3.665 1.00 52.44 H new ATOM 0 HB2 SER A 85 1.693 -15.323 2.837 1.00 3.22 H new ATOM 0 HB3 SER A 85 0.671 -14.803 1.511 1.00 3.22 H new ATOM 0 HG SER A 85 2.512 -12.920 1.710 1.00 32.23 H new ATOM 1260 N CYS A 86 2.400 -11.911 3.980 1.00 53.50 N ATOM 1261 CA CYS A 86 3.385 -11.389 4.909 1.00 45.32 C ATOM 1262 C CYS A 86 3.032 -9.959 5.287 1.00 74.52 C ATOM 1263 O CYS A 86 2.428 -9.237 4.492 1.00 63.14 O ATOM 1264 CB CYS A 86 4.773 -11.440 4.270 1.00 65.14 C ATOM 1265 SG CYS A 86 5.152 -13.020 3.473 1.00 21.21 S ATOM 0 H CYS A 86 2.328 -11.390 3.106 1.00 53.50 H new ATOM 0 HA CYS A 86 3.388 -11.999 5.812 1.00 45.32 H new ATOM 0 HB2 CYS A 86 4.852 -10.643 3.531 1.00 65.14 H new ATOM 0 HB3 CYS A 86 5.523 -11.241 5.036 1.00 65.14 H new ATOM 0 HG CYS A 86 4.145 -13.388 2.739 1.00 21.21 H new ATOM 1271 N GLN A 87 3.406 -9.549 6.494 1.00 25.02 N ATOM 1272 CA GLN A 87 3.124 -8.193 6.949 1.00 74.13 C ATOM 1273 C GLN A 87 3.824 -7.182 6.061 1.00 45.13 C ATOM 1274 O GLN A 87 3.260 -6.145 5.711 1.00 11.24 O ATOM 1275 CB GLN A 87 3.582 -7.976 8.391 1.00 15.34 C ATOM 1276 CG GLN A 87 3.310 -6.560 8.874 1.00 75.35 C ATOM 1277 CD GLN A 87 1.844 -6.328 9.191 1.00 40.34 C ATOM 1278 OE1 GLN A 87 1.141 -7.230 9.643 1.00 62.12 O ATOM 1279 NE2 GLN A 87 1.373 -5.118 8.946 1.00 12.32 N ATOM 0 H GLN A 87 3.901 -10.131 7.170 1.00 25.02 H new ATOM 0 HA GLN A 87 2.044 -8.055 6.897 1.00 74.13 H new ATOM 0 HB2 GLN A 87 3.071 -8.685 9.043 1.00 15.34 H new ATOM 0 HB3 GLN A 87 4.649 -8.185 8.467 1.00 15.34 H new ATOM 0 HG2 GLN A 87 3.907 -6.362 9.764 1.00 75.35 H new ATOM 0 HG3 GLN A 87 3.630 -5.851 8.111 1.00 75.35 H new ATOM 0 HE21 GLN A 87 1.989 -4.397 8.571 1.00 12.32 H new ATOM 0 HE22 GLN A 87 0.393 -4.905 9.132 1.00 12.32 H new ATOM 1288 N ALA A 88 5.059 -7.501 5.695 1.00 11.44 N ATOM 1289 CA ALA A 88 5.871 -6.617 4.878 1.00 40.11 C ATOM 1290 C ALA A 88 5.156 -6.255 3.583 1.00 10.24 C ATOM 1291 O ALA A 88 5.230 -5.119 3.129 1.00 12.33 O ATOM 1292 CB ALA A 88 7.212 -7.265 4.577 1.00 64.05 C ATOM 0 H ALA A 88 5.520 -8.373 5.955 1.00 11.44 H new ATOM 0 HA ALA A 88 6.040 -5.697 5.438 1.00 40.11 H new ATOM 0 HB1 ALA A 88 7.812 -6.592 3.964 1.00 64.05 H new ATOM 0 HB2 ALA A 88 7.736 -7.468 5.511 1.00 64.05 H new ATOM 0 HB3 ALA A 88 7.052 -8.200 4.040 1.00 64.05 H new ATOM 1298 N GLU A 89 4.433 -7.220 3.024 1.00 0.03 N ATOM 1299 CA GLU A 89 3.744 -7.035 1.752 1.00 65.12 C ATOM 1300 C GLU A 89 2.638 -5.988 1.881 1.00 51.12 C ATOM 1301 O GLU A 89 2.354 -5.263 0.935 1.00 64.13 O ATOM 1302 CB GLU A 89 3.161 -8.367 1.274 1.00 1.35 C ATOM 1303 CG GLU A 89 4.176 -9.498 1.261 1.00 25.13 C ATOM 1304 CD GLU A 89 3.577 -10.824 0.840 1.00 14.31 C ATOM 1305 OE1 GLU A 89 2.523 -11.210 1.388 1.00 23.23 O ATOM 1306 OE2 GLU A 89 4.163 -11.490 -0.034 1.00 43.23 O ATOM 0 H GLU A 89 4.309 -8.145 3.436 1.00 0.03 H new ATOM 0 HA GLU A 89 4.465 -6.679 1.017 1.00 65.12 H new ATOM 0 HB2 GLU A 89 2.328 -8.643 1.920 1.00 1.35 H new ATOM 0 HB3 GLU A 89 2.757 -8.239 0.270 1.00 1.35 H new ATOM 0 HG2 GLU A 89 4.990 -9.241 0.583 1.00 25.13 H new ATOM 0 HG3 GLU A 89 4.610 -9.601 2.255 1.00 25.13 H new ATOM 1313 N MET A 90 2.029 -5.910 3.059 1.00 55.34 N ATOM 1314 CA MET A 90 0.996 -4.911 3.323 1.00 43.30 C ATOM 1315 C MET A 90 1.596 -3.512 3.364 1.00 24.30 C ATOM 1316 O MET A 90 1.168 -2.611 2.641 1.00 62.14 O ATOM 1317 CB MET A 90 0.301 -5.195 4.659 1.00 51.01 C ATOM 1318 CG MET A 90 -0.647 -4.084 5.092 1.00 13.21 C ATOM 1319 SD MET A 90 -1.186 -4.240 6.805 1.00 21.21 S ATOM 1320 CE MET A 90 -2.178 -2.759 6.985 1.00 42.31 C ATOM 0 H MET A 90 2.231 -6.525 3.847 1.00 55.34 H new ATOM 0 HA MET A 90 0.267 -4.967 2.515 1.00 43.30 H new ATOM 0 HB2 MET A 90 -0.256 -6.128 4.580 1.00 51.01 H new ATOM 0 HB3 MET A 90 1.057 -5.340 5.431 1.00 51.01 H new ATOM 0 HG2 MET A 90 -0.153 -3.121 4.959 1.00 13.21 H new ATOM 0 HG3 MET A 90 -1.521 -4.086 4.441 1.00 13.21 H new ATOM 0 HE1 MET A 90 -2.764 -2.823 7.902 1.00 42.31 H new ATOM 0 HE2 MET A 90 -1.525 -1.887 7.032 1.00 42.31 H new ATOM 0 HE3 MET A 90 -2.849 -2.664 6.131 1.00 42.31 H new ATOM 1330 N ILE A 91 2.603 -3.347 4.208 1.00 31.25 N ATOM 1331 CA ILE A 91 3.207 -2.044 4.445 1.00 74.52 C ATOM 1332 C ILE A 91 3.959 -1.511 3.225 1.00 73.22 C ATOM 1333 O ILE A 91 3.987 -0.302 3.003 1.00 71.33 O ATOM 1334 CB ILE A 91 4.115 -2.050 5.700 1.00 51.50 C ATOM 1335 CG1 ILE A 91 4.795 -3.414 5.888 1.00 42.45 C ATOM 1336 CG2 ILE A 91 3.304 -1.686 6.934 1.00 53.15 C ATOM 1337 CD1 ILE A 91 5.705 -3.493 7.097 1.00 73.51 C ATOM 0 H ILE A 91 3.022 -4.106 4.745 1.00 31.25 H new ATOM 0 HA ILE A 91 2.381 -1.358 4.633 1.00 74.52 H new ATOM 0 HB ILE A 91 4.897 -1.304 5.557 1.00 51.50 H new ATOM 0 HG12 ILE A 91 4.026 -4.182 5.975 1.00 42.45 H new ATOM 0 HG13 ILE A 91 5.376 -3.644 4.995 1.00 42.45 H new ATOM 0 HG21 ILE A 91 3.952 -1.693 7.810 1.00 53.15 H new ATOM 0 HG22 ILE A 91 2.876 -0.692 6.808 1.00 53.15 H new ATOM 0 HG23 ILE A 91 2.502 -2.412 7.070 1.00 53.15 H new ATOM 0 HD11 ILE A 91 6.145 -4.488 7.157 1.00 73.51 H new ATOM 0 HD12 ILE A 91 6.498 -2.751 7.005 1.00 73.51 H new ATOM 0 HD13 ILE A 91 5.128 -3.297 8.000 1.00 73.51 H new ATOM 1349 N ILE A 92 4.559 -2.387 2.425 1.00 21.21 N ATOM 1350 CA ILE A 92 5.198 -1.940 1.190 1.00 23.21 C ATOM 1351 C ILE A 92 4.151 -1.579 0.141 1.00 3.24 C ATOM 1352 O ILE A 92 4.364 -0.690 -0.683 1.00 64.14 O ATOM 1353 CB ILE A 92 6.187 -2.985 0.610 1.00 2.42 C ATOM 1354 CG1 ILE A 92 5.507 -4.326 0.311 1.00 70.31 C ATOM 1355 CG2 ILE A 92 7.361 -3.189 1.554 1.00 41.50 C ATOM 1356 CD1 ILE A 92 5.050 -4.475 -1.123 1.00 5.40 C ATOM 0 H ILE A 92 4.617 -3.390 2.603 1.00 21.21 H new ATOM 0 HA ILE A 92 5.778 -1.054 1.448 1.00 23.21 H new ATOM 0 HB ILE A 92 6.553 -2.588 -0.337 1.00 2.42 H new ATOM 0 HG12 ILE A 92 6.199 -5.134 0.547 1.00 70.31 H new ATOM 0 HG13 ILE A 92 4.646 -4.441 0.970 1.00 70.31 H new ATOM 0 HG21 ILE A 92 8.044 -3.925 1.131 1.00 41.50 H new ATOM 0 HG22 ILE A 92 7.886 -2.244 1.691 1.00 41.50 H new ATOM 0 HG23 ILE A 92 6.996 -3.545 2.517 1.00 41.50 H new ATOM 0 HD11 ILE A 92 4.579 -5.449 -1.255 1.00 5.40 H new ATOM 0 HD12 ILE A 92 4.332 -3.690 -1.360 1.00 5.40 H new ATOM 0 HD13 ILE A 92 5.909 -4.394 -1.789 1.00 5.40 H new ATOM 1368 N PHE A 93 3.012 -2.262 0.199 1.00 72.13 N ATOM 1369 CA PHE A 93 1.951 -2.087 -0.780 1.00 60.43 C ATOM 1370 C PHE A 93 1.284 -0.730 -0.619 1.00 64.43 C ATOM 1371 O PHE A 93 1.177 0.030 -1.580 1.00 31.14 O ATOM 1372 CB PHE A 93 0.918 -3.204 -0.631 1.00 34.21 C ATOM 1373 CG PHE A 93 -0.094 -3.265 -1.739 1.00 50.15 C ATOM 1374 CD1 PHE A 93 0.301 -3.538 -3.038 1.00 43.21 C ATOM 1375 CD2 PHE A 93 -1.439 -3.069 -1.478 1.00 35.12 C ATOM 1376 CE1 PHE A 93 -0.627 -3.612 -4.058 1.00 30.43 C ATOM 1377 CE2 PHE A 93 -2.372 -3.141 -2.495 1.00 0.34 C ATOM 1378 CZ PHE A 93 -1.964 -3.414 -3.786 1.00 35.40 C ATOM 0 H PHE A 93 2.801 -2.949 0.923 1.00 72.13 H new ATOM 0 HA PHE A 93 2.389 -2.134 -1.777 1.00 60.43 H new ATOM 0 HB2 PHE A 93 1.439 -4.160 -0.579 1.00 34.21 H new ATOM 0 HB3 PHE A 93 0.394 -3.074 0.316 1.00 34.21 H new ATOM 0 HD1 PHE A 93 1.347 -3.695 -3.256 1.00 43.21 H new ATOM 0 HD2 PHE A 93 -1.763 -2.858 -0.470 1.00 35.12 H new ATOM 0 HE1 PHE A 93 -0.306 -3.825 -5.067 1.00 30.43 H new ATOM 0 HE2 PHE A 93 -3.419 -2.984 -2.281 1.00 0.34 H new ATOM 0 HZ PHE A 93 -2.692 -3.472 -4.582 1.00 35.40 H new ATOM 1388 N GLU A 94 0.862 -0.417 0.605 1.00 31.30 N ATOM 1389 CA GLU A 94 0.181 0.845 0.879 1.00 15.14 C ATOM 1390 C GLU A 94 1.070 2.035 0.534 1.00 44.03 C ATOM 1391 O GLU A 94 0.609 3.021 -0.044 1.00 3.21 O ATOM 1392 CB GLU A 94 -0.264 0.929 2.344 1.00 3.12 C ATOM 1393 CG GLU A 94 0.836 0.627 3.351 1.00 15.34 C ATOM 1394 CD GLU A 94 0.556 1.236 4.708 1.00 12.54 C ATOM 1395 OE1 GLU A 94 -0.249 0.664 5.471 1.00 53.34 O ATOM 1396 OE2 GLU A 94 1.132 2.303 5.016 1.00 51.00 O ATOM 0 H GLU A 94 0.980 -1.019 1.420 1.00 31.30 H new ATOM 0 HA GLU A 94 -0.706 0.879 0.246 1.00 15.14 H new ATOM 0 HB2 GLU A 94 -0.652 1.929 2.537 1.00 3.12 H new ATOM 0 HB3 GLU A 94 -1.087 0.232 2.502 1.00 3.12 H new ATOM 0 HG2 GLU A 94 0.944 -0.453 3.455 1.00 15.34 H new ATOM 0 HG3 GLU A 94 1.785 1.007 2.974 1.00 15.34 H new ATOM 1403 N LEU A 95 2.347 1.933 0.881 1.00 62.13 N ATOM 1404 CA LEU A 95 3.307 2.981 0.576 1.00 10.20 C ATOM 1405 C LEU A 95 3.464 3.142 -0.933 1.00 71.34 C ATOM 1406 O LEU A 95 3.407 4.258 -1.453 1.00 24.21 O ATOM 1407 CB LEU A 95 4.661 2.668 1.219 1.00 14.13 C ATOM 1408 CG LEU A 95 4.689 2.721 2.748 1.00 71.03 C ATOM 1409 CD1 LEU A 95 6.062 2.324 3.266 1.00 3.01 C ATOM 1410 CD2 LEU A 95 4.320 4.112 3.241 1.00 10.11 C ATOM 0 H LEU A 95 2.740 1.132 1.375 1.00 62.13 H new ATOM 0 HA LEU A 95 2.933 3.919 0.987 1.00 10.20 H new ATOM 0 HB2 LEU A 95 4.974 1.674 0.901 1.00 14.13 H new ATOM 0 HB3 LEU A 95 5.398 3.372 0.834 1.00 14.13 H new ATOM 0 HG LEU A 95 3.954 2.013 3.131 1.00 71.03 H new ATOM 0 HD11 LEU A 95 6.066 2.367 4.355 1.00 3.01 H new ATOM 0 HD12 LEU A 95 6.294 1.310 2.942 1.00 3.01 H new ATOM 0 HD13 LEU A 95 6.812 3.011 2.873 1.00 3.01 H new ATOM 0 HD21 LEU A 95 4.345 4.130 4.331 1.00 10.11 H new ATOM 0 HD22 LEU A 95 5.033 4.838 2.849 1.00 10.11 H new ATOM 0 HD23 LEU A 95 3.317 4.366 2.897 1.00 10.11 H new ATOM 1422 N SER A 96 3.647 2.021 -1.623 1.00 70.54 N ATOM 1423 CA SER A 96 3.807 2.013 -3.073 1.00 41.22 C ATOM 1424 C SER A 96 2.588 2.618 -3.770 1.00 72.34 C ATOM 1425 O SER A 96 2.728 3.371 -4.728 1.00 21.22 O ATOM 1426 CB SER A 96 4.045 0.579 -3.562 1.00 62.43 C ATOM 1427 OG SER A 96 4.338 0.546 -4.946 1.00 21.14 O ATOM 0 H SER A 96 3.688 1.096 -1.195 1.00 70.54 H new ATOM 0 HA SER A 96 4.672 2.627 -3.325 1.00 41.22 H new ATOM 0 HB2 SER A 96 4.869 0.135 -3.004 1.00 62.43 H new ATOM 0 HB3 SER A 96 3.161 -0.027 -3.361 1.00 62.43 H new ATOM 0 HG SER A 96 4.486 -0.381 -5.227 1.00 21.14 H new ATOM 1433 N LEU A 97 1.395 2.295 -3.276 1.00 23.33 N ATOM 1434 CA LEU A 97 0.156 2.811 -3.858 1.00 32.40 C ATOM 1435 C LEU A 97 0.146 4.331 -3.867 1.00 55.11 C ATOM 1436 O LEU A 97 -0.153 4.958 -4.884 1.00 53.41 O ATOM 1437 CB LEU A 97 -1.064 2.314 -3.076 1.00 40.21 C ATOM 1438 CG LEU A 97 -1.256 0.801 -3.045 1.00 11.05 C ATOM 1439 CD1 LEU A 97 -2.518 0.448 -2.274 1.00 44.33 C ATOM 1440 CD2 LEU A 97 -1.311 0.239 -4.456 1.00 52.40 C ATOM 0 H LEU A 97 1.259 1.679 -2.475 1.00 23.33 H new ATOM 0 HA LEU A 97 0.106 2.444 -4.883 1.00 32.40 H new ATOM 0 HB2 LEU A 97 -0.986 2.673 -2.050 1.00 40.21 H new ATOM 0 HB3 LEU A 97 -1.958 2.767 -3.506 1.00 40.21 H new ATOM 0 HG LEU A 97 -0.403 0.352 -2.536 1.00 11.05 H new ATOM 0 HD11 LEU A 97 -2.644 -0.635 -2.259 1.00 44.33 H new ATOM 0 HD12 LEU A 97 -2.436 0.818 -1.252 1.00 44.33 H new ATOM 0 HD13 LEU A 97 -3.380 0.907 -2.758 1.00 44.33 H new ATOM 0 HD21 LEU A 97 -1.448 -0.841 -4.412 1.00 52.40 H new ATOM 0 HD22 LEU A 97 -2.145 0.689 -4.995 1.00 52.40 H new ATOM 0 HD23 LEU A 97 -0.379 0.466 -4.974 1.00 52.40 H new ATOM 1452 N ARG A 98 0.480 4.912 -2.727 1.00 62.05 N ATOM 1453 CA ARG A 98 0.419 6.353 -2.557 1.00 73.32 C ATOM 1454 C ARG A 98 1.610 7.036 -3.223 1.00 13.32 C ATOM 1455 O ARG A 98 1.473 8.104 -3.820 1.00 33.34 O ATOM 1456 CB ARG A 98 0.357 6.694 -1.075 1.00 41.22 C ATOM 1457 CG ARG A 98 -0.797 5.998 -0.384 1.00 70.21 C ATOM 1458 CD ARG A 98 -0.897 6.369 1.078 1.00 72.40 C ATOM 1459 NE ARG A 98 -1.526 7.673 1.288 1.00 51.12 N ATOM 1460 CZ ARG A 98 -0.956 8.687 1.935 1.00 43.51 C ATOM 1461 NH1 ARG A 98 0.286 8.587 2.395 1.00 31.02 N ATOM 1462 NH2 ARG A 98 -1.641 9.803 2.135 1.00 11.42 N ATOM 0 H ARG A 98 0.798 4.404 -1.902 1.00 62.05 H new ATOM 0 HA ARG A 98 -0.484 6.723 -3.042 1.00 73.32 H new ATOM 0 HB2 ARG A 98 1.293 6.407 -0.597 1.00 41.22 H new ATOM 0 HB3 ARG A 98 0.255 7.773 -0.954 1.00 41.22 H new ATOM 0 HG2 ARG A 98 -1.729 6.257 -0.887 1.00 70.21 H new ATOM 0 HG3 ARG A 98 -0.675 4.919 -0.475 1.00 70.21 H new ATOM 0 HD2 ARG A 98 -1.470 5.605 1.604 1.00 72.40 H new ATOM 0 HD3 ARG A 98 0.101 6.377 1.516 1.00 72.40 H new ATOM 0 HE ARG A 98 -2.464 7.815 0.914 1.00 51.12 H new ATOM 0 HH11 ARG A 98 0.814 7.726 2.254 1.00 31.02 H new ATOM 0 HH12 ARG A 98 0.712 9.371 2.889 1.00 31.02 H new ATOM 0 HH21 ARG A 98 -2.599 9.881 1.794 1.00 11.42 H new ATOM 0 HH22 ARG A 98 -1.210 10.584 2.630 1.00 11.42 H new ATOM 1476 N SER A 99 2.769 6.392 -3.152 1.00 14.42 N ATOM 1477 CA SER A 99 4.002 6.968 -3.678 1.00 30.21 C ATOM 1478 C SER A 99 4.161 6.675 -5.171 1.00 52.32 C ATOM 1479 O SER A 99 5.166 7.039 -5.780 1.00 54.44 O ATOM 1480 CB SER A 99 5.208 6.423 -2.908 1.00 2.25 C ATOM 1481 OG SER A 99 5.035 6.583 -1.508 1.00 2.51 O ATOM 0 H SER A 99 2.881 5.468 -2.734 1.00 14.42 H new ATOM 0 HA SER A 99 3.949 8.049 -3.549 1.00 30.21 H new ATOM 0 HB2 SER A 99 5.346 5.367 -3.142 1.00 2.25 H new ATOM 0 HB3 SER A 99 6.112 6.941 -3.228 1.00 2.25 H new ATOM 0 HG SER A 99 4.464 5.865 -1.165 1.00 2.51 H new ATOM 1487 N LEU A 100 3.174 6.009 -5.758 1.00 41.43 N ATOM 1488 CA LEU A 100 3.196 5.737 -7.189 1.00 60.24 C ATOM 1489 C LEU A 100 2.914 7.021 -7.961 1.00 61.42 C ATOM 1490 O LEU A 100 3.523 7.291 -8.996 1.00 10.41 O ATOM 1491 CB LEU A 100 2.166 4.666 -7.549 1.00 62.04 C ATOM 1492 CG LEU A 100 2.292 4.087 -8.961 1.00 70.34 C ATOM 1493 CD1 LEU A 100 3.643 3.412 -9.141 1.00 53.14 C ATOM 1494 CD2 LEU A 100 1.168 3.103 -9.238 1.00 4.30 C ATOM 0 H LEU A 100 2.354 5.650 -5.269 1.00 41.43 H new ATOM 0 HA LEU A 100 4.184 5.366 -7.461 1.00 60.24 H new ATOM 0 HB2 LEU A 100 2.248 3.850 -6.831 1.00 62.04 H new ATOM 0 HB3 LEU A 100 1.169 5.091 -7.436 1.00 62.04 H new ATOM 0 HG LEU A 100 2.216 4.907 -9.675 1.00 70.34 H new ATOM 0 HD11 LEU A 100 3.715 3.006 -10.150 1.00 53.14 H new ATOM 0 HD12 LEU A 100 4.438 4.141 -8.985 1.00 53.14 H new ATOM 0 HD13 LEU A 100 3.745 2.604 -8.417 1.00 53.14 H new ATOM 0 HD21 LEU A 100 1.275 2.703 -10.246 1.00 4.30 H new ATOM 0 HD22 LEU A 100 1.213 2.287 -8.517 1.00 4.30 H new ATOM 0 HD23 LEU A 100 0.208 3.613 -9.150 1.00 4.30 H new