USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=22 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 28 CYS SG : rot 180:sc= 0.00464 USER MOD Set 1.2: A 29 THR OG1 : rot -123:sc= -0.362 USER MOD Set 1.3: A 83 THR OG1 : rot 180:sc= 0.261 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -150:sc= 1.26 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.21) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00397 USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.17 USER MOD Single : A 44 SER OG : rot 65:sc= 1.28 USER MOD Single : A 46 MET CE :methyl 144:sc= -3.55! (180deg=-5.24!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= -0.0885 (180deg=-0.562) USER MOD Single : A 57 SER OG : rot -4:sc= 1.3 USER MOD Single : A 58 SER OG : rot 180:sc= 0 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+ -170:sc= 1.27 (180deg=1.12) USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= -0.0269 (180deg=-0.181) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 97:sc= 0.394 USER MOD Single : A 87 GLN : amide:sc= 0.344 X(o=0.34,f=0) USER MOD Single : A 90 MET CE :methyl 179:sc= -1.14 (180deg=-1.16) USER MOD Single : A 96 SER OG : rot 77:sc= 1.07 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -2.962 -4.924 11.121 1.00 30.54 N ATOM 378 CA ASN A 27 -3.508 -5.964 10.256 1.00 13.41 C ATOM 379 C ASN A 27 -2.460 -6.507 9.295 1.00 63.53 C ATOM 380 O ASN A 27 -1.296 -6.099 9.311 1.00 14.31 O ATOM 381 CB ASN A 27 -4.679 -5.420 9.426 1.00 24.42 C ATOM 382 CG ASN A 27 -5.829 -4.927 10.269 1.00 32.35 C ATOM 383 OD1 ASN A 27 -6.706 -5.697 10.646 1.00 43.01 O ATOM 384 ND2 ASN A 27 -5.853 -3.633 10.534 1.00 44.23 N ATOM 0 HA ASN A 27 -3.847 -6.767 10.910 1.00 13.41 H new ATOM 0 HB2 ASN A 27 -4.322 -4.604 8.798 1.00 24.42 H new ATOM 0 HB3 ASN A 27 -5.037 -6.203 8.758 1.00 24.42 H new ATOM 0 HD21 ASN A 27 -6.623 -3.237 11.073 1.00 44.23 H new ATOM 0 HD22 ASN A 27 -5.101 -3.030 10.200 1.00 44.23 H new ATOM 391 N CYS A 28 -2.899 -7.447 8.473 1.00 31.24 N ATOM 392 CA CYS A 28 -2.129 -7.926 7.338 1.00 12.34 C ATOM 393 C CYS A 28 -2.935 -7.685 6.063 1.00 73.22 C ATOM 394 O CYS A 28 -2.415 -7.757 4.950 1.00 24.23 O ATOM 395 CB CYS A 28 -1.796 -9.411 7.499 1.00 72.14 C ATOM 396 SG CYS A 28 -3.233 -10.466 7.786 1.00 1.02 S ATOM 0 H CYS A 28 -3.806 -7.902 8.576 1.00 31.24 H new ATOM 0 HA CYS A 28 -1.185 -7.384 7.280 1.00 12.34 H new ATOM 0 HB2 CYS A 28 -1.280 -9.755 6.603 1.00 72.14 H new ATOM 0 HB3 CYS A 28 -1.102 -9.528 8.331 1.00 72.14 H new ATOM 0 HG CYS A 28 -2.847 -11.702 7.906 1.00 1.02 H new ATOM 402 N THR A 29 -4.221 -7.404 6.252 1.00 2.42 N ATOM 403 CA THR A 29 -5.103 -7.020 5.167 1.00 14.14 C ATOM 404 C THR A 29 -5.241 -5.501 5.133 1.00 42.33 C ATOM 405 O THR A 29 -5.709 -4.893 6.102 1.00 22.32 O ATOM 406 CB THR A 29 -6.496 -7.663 5.341 1.00 43.41 C ATOM 407 OG1 THR A 29 -6.380 -9.092 5.329 1.00 1.24 O ATOM 408 CG2 THR A 29 -7.455 -7.221 4.244 1.00 1.25 C ATOM 0 H THR A 29 -4.676 -7.438 7.164 1.00 2.42 H new ATOM 0 HA THR A 29 -4.673 -7.372 4.229 1.00 14.14 H new ATOM 0 HB THR A 29 -6.898 -7.333 6.299 1.00 43.41 H new ATOM 0 HG1 THR A 29 -6.943 -9.460 4.616 1.00 1.24 H new ATOM 0 HG21 THR A 29 -8.426 -7.693 4.398 1.00 1.25 H new ATOM 0 HG22 THR A 29 -7.569 -6.137 4.275 1.00 1.25 H new ATOM 0 HG23 THR A 29 -7.058 -7.516 3.273 1.00 1.25 H new ATOM 416 N SER A 30 -4.839 -4.888 4.027 1.00 33.44 N ATOM 417 CA SER A 30 -4.883 -3.439 3.911 1.00 41.41 C ATOM 418 C SER A 30 -6.138 -3.018 3.169 1.00 3.25 C ATOM 419 O SER A 30 -6.628 -3.746 2.308 1.00 4.43 O ATOM 420 CB SER A 30 -3.645 -2.908 3.181 1.00 70.44 C ATOM 421 OG SER A 30 -3.551 -1.502 3.323 1.00 3.01 O ATOM 0 H SER A 30 -4.481 -5.370 3.202 1.00 33.44 H new ATOM 0 HA SER A 30 -4.896 -3.017 4.916 1.00 41.41 H new ATOM 0 HB2 SER A 30 -2.748 -3.381 3.582 1.00 70.44 H new ATOM 0 HB3 SER A 30 -3.698 -3.170 2.124 1.00 70.44 H new ATOM 0 HG SER A 30 -3.112 -1.122 2.534 1.00 3.01 H new ATOM 427 N LYS A 31 -6.662 -1.853 3.509 1.00 34.41 N ATOM 428 CA LYS A 31 -7.877 -1.356 2.890 1.00 11.21 C ATOM 429 C LYS A 31 -7.593 -0.009 2.265 1.00 12.41 C ATOM 430 O LYS A 31 -7.319 0.971 2.962 1.00 14.44 O ATOM 431 CB LYS A 31 -9.024 -1.202 3.893 1.00 31.01 C ATOM 432 CG LYS A 31 -9.044 -2.231 5.007 1.00 24.44 C ATOM 433 CD LYS A 31 -8.016 -1.879 6.067 1.00 42.42 C ATOM 434 CE LYS A 31 -8.275 -2.586 7.387 1.00 72.54 C ATOM 435 NZ LYS A 31 -8.114 -4.060 7.277 1.00 24.34 N ATOM 0 H LYS A 31 -6.263 -1.232 4.213 1.00 34.41 H new ATOM 0 HA LYS A 31 -8.187 -2.084 2.140 1.00 11.21 H new ATOM 0 HB2 LYS A 31 -8.967 -0.208 4.338 1.00 31.01 H new ATOM 0 HB3 LYS A 31 -9.969 -1.255 3.352 1.00 31.01 H new ATOM 0 HG2 LYS A 31 -10.037 -2.274 5.454 1.00 24.44 H new ATOM 0 HG3 LYS A 31 -8.834 -3.221 4.601 1.00 24.44 H new ATOM 0 HD2 LYS A 31 -7.022 -2.143 5.706 1.00 42.42 H new ATOM 0 HD3 LYS A 31 -8.020 -0.801 6.229 1.00 42.42 H new ATOM 0 HE2 LYS A 31 -7.589 -2.203 8.143 1.00 72.54 H new ATOM 0 HE3 LYS A 31 -9.285 -2.357 7.728 1.00 72.54 H new ATOM 0 HZ1 LYS A 31 -8.132 -4.483 8.227 1.00 24.34 H new ATOM 0 HZ2 LYS A 31 -8.891 -4.453 6.708 1.00 24.34 H new ATOM 0 HZ3 LYS A 31 -7.206 -4.277 6.819 1.00 24.34 H new ATOM 449 N PHE A 32 -7.655 0.034 0.964 1.00 52.14 N ATOM 450 CA PHE A 32 -7.342 1.246 0.228 1.00 74.42 C ATOM 451 C PHE A 32 -8.617 1.916 -0.259 1.00 75.21 C ATOM 452 O PHE A 32 -9.343 1.360 -1.081 1.00 2.21 O ATOM 453 CB PHE A 32 -6.425 0.925 -0.957 1.00 63.54 C ATOM 454 CG PHE A 32 -6.093 2.118 -1.810 1.00 64.50 C ATOM 455 CD1 PHE A 32 -5.122 3.024 -1.413 1.00 43.31 C ATOM 456 CD2 PHE A 32 -6.755 2.335 -3.009 1.00 42.02 C ATOM 457 CE1 PHE A 32 -4.818 4.122 -2.194 1.00 25.13 C ATOM 458 CE2 PHE A 32 -6.455 3.432 -3.794 1.00 72.40 C ATOM 459 CZ PHE A 32 -5.485 4.326 -3.386 1.00 61.32 C ATOM 0 H PHE A 32 -7.921 -0.758 0.379 1.00 52.14 H new ATOM 0 HA PHE A 32 -6.823 1.933 0.896 1.00 74.42 H new ATOM 0 HB2 PHE A 32 -5.499 0.491 -0.580 1.00 63.54 H new ATOM 0 HB3 PHE A 32 -6.902 0.167 -1.579 1.00 63.54 H new ATOM 0 HD1 PHE A 32 -4.597 2.870 -0.482 1.00 43.31 H new ATOM 0 HD2 PHE A 32 -7.514 1.638 -3.333 1.00 42.02 H new ATOM 0 HE1 PHE A 32 -4.059 4.820 -1.873 1.00 25.13 H new ATOM 0 HE2 PHE A 32 -6.979 3.590 -4.725 1.00 72.40 H new ATOM 0 HZ PHE A 32 -5.248 5.184 -3.998 1.00 61.32 H new ATOM 469 N SER A 33 -8.867 3.118 0.237 1.00 74.32 N ATOM 470 CA SER A 33 -10.047 3.876 -0.141 1.00 73.15 C ATOM 471 C SER A 33 -9.680 5.137 -0.908 1.00 74.03 C ATOM 472 O SER A 33 -8.747 5.860 -0.543 1.00 5.31 O ATOM 473 CB SER A 33 -10.858 4.239 1.103 1.00 0.34 C ATOM 474 OG SER A 33 -10.003 4.439 2.220 1.00 44.25 O ATOM 0 H SER A 33 -8.262 3.592 0.908 1.00 74.32 H new ATOM 0 HA SER A 33 -10.650 3.248 -0.797 1.00 73.15 H new ATOM 0 HB2 SER A 33 -11.436 5.144 0.915 1.00 0.34 H new ATOM 0 HB3 SER A 33 -11.571 3.445 1.323 1.00 0.34 H new ATOM 0 HG SER A 33 -10.540 4.672 3.006 1.00 44.25 H new ATOM 480 N ARG A 34 -10.409 5.372 -1.982 1.00 34.33 N ATOM 481 CA ARG A 34 -10.290 6.587 -2.767 1.00 13.22 C ATOM 482 C ARG A 34 -11.656 6.967 -3.312 1.00 30.12 C ATOM 483 O ARG A 34 -12.485 6.098 -3.590 1.00 1.53 O ATOM 484 CB ARG A 34 -9.293 6.400 -3.914 1.00 72.21 C ATOM 485 CG ARG A 34 -7.900 6.946 -3.627 1.00 15.03 C ATOM 486 CD ARG A 34 -7.783 8.424 -3.980 1.00 21.11 C ATOM 487 NE ARG A 34 -8.659 9.273 -3.169 1.00 34.31 N ATOM 488 CZ ARG A 34 -9.089 10.477 -3.550 1.00 74.52 C ATOM 489 NH1 ARG A 34 -8.702 10.996 -4.708 1.00 22.20 N ATOM 490 NH2 ARG A 34 -9.890 11.175 -2.752 1.00 10.25 N ATOM 0 H ARG A 34 -11.107 4.719 -2.338 1.00 34.33 H new ATOM 0 HA ARG A 34 -9.918 7.387 -2.127 1.00 13.22 H new ATOM 0 HB2 ARG A 34 -9.214 5.337 -4.142 1.00 72.21 H new ATOM 0 HB3 ARG A 34 -9.686 6.889 -4.805 1.00 72.21 H new ATOM 0 HG2 ARG A 34 -7.666 6.806 -2.572 1.00 15.03 H new ATOM 0 HG3 ARG A 34 -7.164 6.378 -4.195 1.00 15.03 H new ATOM 0 HD2 ARG A 34 -6.750 8.744 -3.846 1.00 21.11 H new ATOM 0 HD3 ARG A 34 -8.026 8.561 -5.034 1.00 21.11 H new ATOM 0 HE ARG A 34 -8.958 8.923 -2.259 1.00 34.31 H new ATOM 0 HH11 ARG A 34 -8.071 10.474 -5.315 1.00 22.20 H new ATOM 0 HH12 ARG A 34 -9.036 11.917 -4.991 1.00 22.20 H new ATOM 0 HH21 ARG A 34 -10.174 10.790 -1.851 1.00 10.25 H new ATOM 0 HH22 ARG A 34 -10.221 12.096 -3.040 1.00 10.25 H new ATOM 504 N PHE A 35 -11.893 8.257 -3.446 1.00 12.54 N ATOM 505 CA PHE A 35 -13.175 8.746 -3.916 1.00 11.05 C ATOM 506 C PHE A 35 -13.030 9.297 -5.322 1.00 55.33 C ATOM 507 O PHE A 35 -12.193 10.165 -5.578 1.00 62.12 O ATOM 508 CB PHE A 35 -13.716 9.827 -2.977 1.00 2.45 C ATOM 509 CG PHE A 35 -13.665 9.442 -1.522 1.00 1.40 C ATOM 510 CD1 PHE A 35 -14.492 8.449 -1.023 1.00 3.52 C ATOM 511 CD2 PHE A 35 -12.783 10.069 -0.656 1.00 73.01 C ATOM 512 CE1 PHE A 35 -14.440 8.090 0.312 1.00 11.30 C ATOM 513 CE2 PHE A 35 -12.728 9.714 0.678 1.00 34.42 C ATOM 514 CZ PHE A 35 -13.558 8.724 1.163 1.00 42.15 C ATOM 0 H PHE A 35 -11.213 8.987 -3.236 1.00 12.54 H new ATOM 0 HA PHE A 35 -13.883 7.918 -3.928 1.00 11.05 H new ATOM 0 HB2 PHE A 35 -13.143 10.743 -3.122 1.00 2.45 H new ATOM 0 HB3 PHE A 35 -14.748 10.050 -3.249 1.00 2.45 H new ATOM 0 HD1 PHE A 35 -15.185 7.949 -1.684 1.00 3.52 H new ATOM 0 HD2 PHE A 35 -12.131 10.845 -1.029 1.00 73.01 H new ATOM 0 HE1 PHE A 35 -15.090 7.314 0.688 1.00 11.30 H new ATOM 0 HE2 PHE A 35 -12.036 10.211 1.341 1.00 34.42 H new ATOM 0 HZ PHE A 35 -13.517 8.446 2.206 1.00 42.15 H new ATOM 524 N PHE A 36 -13.832 8.783 -6.232 1.00 32.11 N ATOM 525 CA PHE A 36 -13.750 9.181 -7.627 1.00 1.22 C ATOM 526 C PHE A 36 -15.068 9.782 -8.075 1.00 23.44 C ATOM 527 O PHE A 36 -16.074 9.649 -7.383 1.00 51.45 O ATOM 528 CB PHE A 36 -13.392 7.981 -8.498 1.00 31.22 C ATOM 529 CG PHE A 36 -12.063 7.371 -8.150 1.00 51.33 C ATOM 530 CD1 PHE A 36 -10.884 7.944 -8.604 1.00 14.42 C ATOM 531 CD2 PHE A 36 -11.993 6.229 -7.369 1.00 64.14 C ATOM 532 CE1 PHE A 36 -9.662 7.387 -8.285 1.00 2.41 C ATOM 533 CE2 PHE A 36 -10.772 5.669 -7.048 1.00 51.32 C ATOM 534 CZ PHE A 36 -9.606 6.249 -7.506 1.00 32.24 C ATOM 0 H PHE A 36 -14.550 8.087 -6.032 1.00 32.11 H new ATOM 0 HA PHE A 36 -12.968 9.933 -7.733 1.00 1.22 H new ATOM 0 HB2 PHE A 36 -14.169 7.223 -8.398 1.00 31.22 H new ATOM 0 HB3 PHE A 36 -13.380 8.290 -9.543 1.00 31.22 H new ATOM 0 HD1 PHE A 36 -10.923 8.835 -9.213 1.00 14.42 H new ATOM 0 HD2 PHE A 36 -12.902 5.772 -7.008 1.00 64.14 H new ATOM 0 HE1 PHE A 36 -8.751 7.841 -8.645 1.00 2.41 H new ATOM 0 HE2 PHE A 36 -10.729 4.778 -6.439 1.00 51.32 H new ATOM 0 HZ PHE A 36 -8.651 5.813 -7.255 1.00 32.24 H new ATOM 544 N ALA A 37 -15.059 10.445 -9.223 1.00 41.43 N ATOM 545 CA ALA A 37 -16.262 11.091 -9.739 1.00 35.44 C ATOM 546 C ALA A 37 -17.209 10.081 -10.376 1.00 12.23 C ATOM 547 O ALA A 37 -18.426 10.269 -10.368 1.00 3.53 O ATOM 548 CB ALA A 37 -15.895 12.179 -10.734 1.00 10.24 C ATOM 0 H ALA A 37 -14.235 10.551 -9.815 1.00 41.43 H new ATOM 0 HA ALA A 37 -16.782 11.547 -8.897 1.00 35.44 H new ATOM 0 HB1 ALA A 37 -16.803 12.651 -11.109 1.00 10.24 H new ATOM 0 HB2 ALA A 37 -15.274 12.928 -10.242 1.00 10.24 H new ATOM 0 HB3 ALA A 37 -15.344 11.740 -11.566 1.00 10.24 H new ATOM 554 N THR A 38 -16.655 9.015 -10.931 1.00 23.34 N ATOM 555 CA THR A 38 -17.470 7.980 -11.544 1.00 51.01 C ATOM 556 C THR A 38 -17.045 6.607 -11.049 1.00 43.30 C ATOM 557 O THR A 38 -15.901 6.418 -10.624 1.00 5.14 O ATOM 558 CB THR A 38 -17.358 7.997 -13.082 1.00 13.34 C ATOM 559 OG1 THR A 38 -15.991 7.818 -13.472 1.00 31.33 O ATOM 560 CG2 THR A 38 -17.895 9.295 -13.669 1.00 12.13 C ATOM 0 H THR A 38 -15.650 8.845 -10.969 1.00 23.34 H new ATOM 0 HA THR A 38 -18.503 8.183 -11.261 1.00 51.01 H new ATOM 0 HB THR A 38 -17.963 7.177 -13.470 1.00 13.34 H new ATOM 0 HG1 THR A 38 -15.868 8.138 -14.390 1.00 31.33 H new ATOM 0 HG21 THR A 38 -17.799 9.270 -14.755 1.00 12.13 H new ATOM 0 HG22 THR A 38 -18.945 9.409 -13.400 1.00 12.13 H new ATOM 0 HG23 THR A 38 -17.326 10.136 -13.274 1.00 12.13 H new ATOM 568 N ARG A 39 -17.964 5.653 -11.105 1.00 3.51 N ATOM 569 CA ARG A 39 -17.648 4.269 -10.789 1.00 24.40 C ATOM 570 C ARG A 39 -16.613 3.737 -11.780 1.00 72.31 C ATOM 571 O ARG A 39 -15.833 2.837 -11.462 1.00 55.35 O ATOM 572 CB ARG A 39 -18.924 3.422 -10.804 1.00 2.52 C ATOM 573 CG ARG A 39 -18.675 1.925 -10.730 1.00 45.12 C ATOM 574 CD ARG A 39 -19.979 1.152 -10.685 1.00 43.11 C ATOM 575 NE ARG A 39 -19.758 -0.288 -10.589 1.00 74.04 N ATOM 576 CZ ARG A 39 -20.451 -1.088 -9.782 1.00 42.35 C ATOM 577 NH1 ARG A 39 -21.353 -0.577 -8.950 1.00 25.52 N ATOM 578 NH2 ARG A 39 -20.229 -2.397 -9.786 1.00 54.14 N ATOM 0 H ARG A 39 -18.937 5.814 -11.367 1.00 3.51 H new ATOM 0 HA ARG A 39 -17.221 4.211 -9.788 1.00 24.40 H new ATOM 0 HB2 ARG A 39 -19.553 3.717 -9.964 1.00 2.52 H new ATOM 0 HB3 ARG A 39 -19.483 3.642 -11.714 1.00 2.52 H new ATOM 0 HG2 ARG A 39 -18.091 1.608 -11.594 1.00 45.12 H new ATOM 0 HG3 ARG A 39 -18.083 1.696 -9.844 1.00 45.12 H new ATOM 0 HD2 ARG A 39 -20.569 1.486 -9.832 1.00 43.11 H new ATOM 0 HD3 ARG A 39 -20.561 1.371 -11.580 1.00 43.11 H new ATOM 0 HE ARG A 39 -19.032 -0.704 -11.173 1.00 74.04 H new ATOM 0 HH11 ARG A 39 -21.515 0.430 -8.929 1.00 25.52 H new ATOM 0 HH12 ARG A 39 -21.883 -1.192 -8.332 1.00 25.52 H new ATOM 0 HH21 ARG A 39 -19.525 -2.793 -10.409 1.00 54.14 H new ATOM 0 HH22 ARG A 39 -20.762 -3.007 -9.166 1.00 54.14 H new ATOM 592 N GLU A 40 -16.602 4.325 -12.973 1.00 14.40 N ATOM 593 CA GLU A 40 -15.581 4.032 -13.969 1.00 15.45 C ATOM 594 C GLU A 40 -14.200 4.347 -13.421 1.00 3.11 C ATOM 595 O GLU A 40 -13.309 3.502 -13.439 1.00 72.21 O ATOM 596 CB GLU A 40 -15.814 4.858 -15.223 1.00 64.21 C ATOM 597 CG GLU A 40 -17.079 4.500 -15.969 1.00 62.14 C ATOM 598 CD GLU A 40 -17.275 5.367 -17.191 1.00 2.33 C ATOM 599 OE1 GLU A 40 -16.436 5.296 -18.114 1.00 74.31 O ATOM 600 OE2 GLU A 40 -18.261 6.124 -17.232 1.00 2.14 O ATOM 0 H GLU A 40 -17.294 5.011 -13.273 1.00 14.40 H new ATOM 0 HA GLU A 40 -15.642 2.972 -14.214 1.00 15.45 H new ATOM 0 HB2 GLU A 40 -15.852 5.912 -14.949 1.00 64.21 H new ATOM 0 HB3 GLU A 40 -14.962 4.733 -15.892 1.00 64.21 H new ATOM 0 HG2 GLU A 40 -17.040 3.453 -16.269 1.00 62.14 H new ATOM 0 HG3 GLU A 40 -17.936 4.609 -15.305 1.00 62.14 H new ATOM 607 N GLU A 41 -14.041 5.573 -12.934 1.00 32.12 N ATOM 608 CA GLU A 41 -12.795 6.019 -12.318 1.00 42.12 C ATOM 609 C GLU A 41 -12.352 5.058 -11.220 1.00 31.43 C ATOM 610 O GLU A 41 -11.159 4.832 -11.022 1.00 2.11 O ATOM 611 CB GLU A 41 -12.987 7.417 -11.730 1.00 35.53 C ATOM 612 CG GLU A 41 -13.006 8.527 -12.761 1.00 1.50 C ATOM 613 CD GLU A 41 -11.630 8.822 -13.316 1.00 55.23 C ATOM 614 OE1 GLU A 41 -10.892 9.612 -12.684 1.00 51.31 O ATOM 615 OE2 GLU A 41 -11.276 8.263 -14.372 1.00 14.10 O ATOM 0 H GLU A 41 -14.771 6.285 -12.955 1.00 32.12 H new ATOM 0 HA GLU A 41 -12.021 6.043 -13.085 1.00 42.12 H new ATOM 0 HB2 GLU A 41 -13.923 7.439 -11.172 1.00 35.53 H new ATOM 0 HB3 GLU A 41 -12.186 7.612 -11.017 1.00 35.53 H new ATOM 0 HG2 GLU A 41 -13.672 8.249 -13.578 1.00 1.50 H new ATOM 0 HG3 GLU A 41 -13.414 9.431 -12.310 1.00 1.50 H new ATOM 622 N ALA A 42 -13.324 4.482 -10.528 1.00 15.32 N ATOM 623 CA ALA A 42 -13.043 3.557 -9.439 1.00 54.43 C ATOM 624 C ALA A 42 -12.469 2.248 -9.972 1.00 33.33 C ATOM 625 O ALA A 42 -11.409 1.798 -9.538 1.00 20.01 O ATOM 626 CB ALA A 42 -14.303 3.297 -8.623 1.00 33.21 C ATOM 0 H ALA A 42 -14.317 4.639 -10.702 1.00 15.32 H new ATOM 0 HA ALA A 42 -12.297 4.013 -8.788 1.00 54.43 H new ATOM 0 HB1 ALA A 42 -14.075 2.604 -7.813 1.00 33.21 H new ATOM 0 HB2 ALA A 42 -14.666 4.236 -8.205 1.00 33.21 H new ATOM 0 HB3 ALA A 42 -15.070 2.865 -9.266 1.00 33.21 H new ATOM 632 N GLU A 43 -13.162 1.653 -10.936 1.00 4.00 N ATOM 633 CA GLU A 43 -12.741 0.377 -11.503 1.00 73.11 C ATOM 634 C GLU A 43 -11.495 0.533 -12.376 1.00 44.42 C ATOM 635 O GLU A 43 -10.745 -0.423 -12.575 1.00 62.40 O ATOM 636 CB GLU A 43 -13.883 -0.252 -12.302 1.00 43.42 C ATOM 637 CG GLU A 43 -15.061 -0.668 -11.435 1.00 63.32 C ATOM 638 CD GLU A 43 -16.138 -1.406 -12.204 1.00 13.55 C ATOM 639 OE1 GLU A 43 -15.808 -2.379 -12.914 1.00 13.40 O ATOM 640 OE2 GLU A 43 -17.327 -1.038 -12.081 1.00 14.30 O ATOM 0 H GLU A 43 -14.017 2.033 -11.341 1.00 4.00 H new ATOM 0 HA GLU A 43 -12.482 -0.286 -10.677 1.00 73.11 H new ATOM 0 HB2 GLU A 43 -14.226 0.458 -13.054 1.00 43.42 H new ATOM 0 HB3 GLU A 43 -13.507 -1.125 -12.836 1.00 43.42 H new ATOM 0 HG2 GLU A 43 -14.701 -1.304 -10.626 1.00 63.32 H new ATOM 0 HG3 GLU A 43 -15.496 0.219 -10.974 1.00 63.32 H new ATOM 647 N SER A 44 -11.275 1.736 -12.892 1.00 34.34 N ATOM 648 CA SER A 44 -10.074 2.024 -13.663 1.00 34.54 C ATOM 649 C SER A 44 -8.859 2.061 -12.751 1.00 64.54 C ATOM 650 O SER A 44 -7.767 1.645 -13.137 1.00 33.55 O ATOM 651 CB SER A 44 -10.219 3.357 -14.404 1.00 12.41 C ATOM 652 OG SER A 44 -11.356 3.351 -15.251 1.00 45.13 O ATOM 0 H SER A 44 -11.912 2.526 -12.790 1.00 34.34 H new ATOM 0 HA SER A 44 -9.937 1.231 -14.398 1.00 34.54 H new ATOM 0 HB2 SER A 44 -10.304 4.170 -13.683 1.00 12.41 H new ATOM 0 HB3 SER A 44 -9.323 3.547 -14.995 1.00 12.41 H new ATOM 0 HG SER A 44 -12.168 3.273 -14.708 1.00 45.13 H new ATOM 658 N PHE A 45 -9.057 2.529 -11.527 1.00 72.54 N ATOM 659 CA PHE A 45 -7.965 2.627 -10.579 1.00 3.13 C ATOM 660 C PHE A 45 -7.646 1.244 -10.019 1.00 34.22 C ATOM 661 O PHE A 45 -6.511 0.960 -9.641 1.00 30.41 O ATOM 662 CB PHE A 45 -8.327 3.597 -9.455 1.00 41.13 C ATOM 663 CG PHE A 45 -7.139 4.284 -8.845 1.00 43.32 C ATOM 664 CD1 PHE A 45 -6.541 5.354 -9.492 1.00 15.11 C ATOM 665 CD2 PHE A 45 -6.620 3.867 -7.632 1.00 40.35 C ATOM 666 CE1 PHE A 45 -5.449 5.993 -8.941 1.00 43.32 C ATOM 667 CE2 PHE A 45 -5.527 4.502 -7.075 1.00 52.15 C ATOM 668 CZ PHE A 45 -4.941 5.567 -7.731 1.00 35.31 C ATOM 0 H PHE A 45 -9.960 2.844 -11.172 1.00 72.54 H new ATOM 0 HA PHE A 45 -7.080 3.011 -11.087 1.00 3.13 H new ATOM 0 HB2 PHE A 45 -9.011 4.351 -9.844 1.00 41.13 H new ATOM 0 HB3 PHE A 45 -8.861 3.053 -8.676 1.00 41.13 H new ATOM 0 HD1 PHE A 45 -6.935 5.692 -10.439 1.00 15.11 H new ATOM 0 HD2 PHE A 45 -7.075 3.035 -7.115 1.00 40.35 H new ATOM 0 HE1 PHE A 45 -4.993 6.825 -9.456 1.00 43.32 H new ATOM 0 HE2 PHE A 45 -5.131 4.166 -6.128 1.00 52.15 H new ATOM 0 HZ PHE A 45 -4.087 6.065 -7.297 1.00 35.31 H new ATOM 678 N MET A 46 -8.658 0.381 -10.000 1.00 62.50 N ATOM 679 CA MET A 46 -8.496 -0.995 -9.543 1.00 13.32 C ATOM 680 C MET A 46 -7.478 -1.733 -10.408 1.00 73.33 C ATOM 681 O MET A 46 -6.744 -2.594 -9.923 1.00 61.20 O ATOM 682 CB MET A 46 -9.843 -1.727 -9.572 1.00 3.31 C ATOM 683 CG MET A 46 -9.766 -3.179 -9.123 1.00 73.12 C ATOM 684 SD MET A 46 -9.170 -3.356 -7.431 1.00 23.22 S ATOM 685 CE MET A 46 -10.369 -2.359 -6.551 1.00 71.13 C ATOM 0 H MET A 46 -9.605 0.613 -10.298 1.00 62.50 H new ATOM 0 HA MET A 46 -8.128 -0.975 -8.517 1.00 13.32 H new ATOM 0 HB2 MET A 46 -10.548 -1.196 -8.932 1.00 3.31 H new ATOM 0 HB3 MET A 46 -10.243 -1.691 -10.585 1.00 3.31 H new ATOM 0 HG2 MET A 46 -10.754 -3.633 -9.205 1.00 73.12 H new ATOM 0 HG3 MET A 46 -9.106 -3.728 -9.795 1.00 73.12 H new ATOM 0 HE1 MET A 46 -10.579 -2.813 -5.582 1.00 71.13 H new ATOM 0 HE2 MET A 46 -9.969 -1.356 -6.403 1.00 71.13 H new ATOM 0 HE3 MET A 46 -11.290 -2.301 -7.131 1.00 71.13 H new ATOM 695 N THR A 47 -7.432 -1.375 -11.688 1.00 65.23 N ATOM 696 CA THR A 47 -6.485 -1.970 -12.619 1.00 31.31 C ATOM 697 C THR A 47 -5.052 -1.838 -12.108 1.00 32.21 C ATOM 698 O THR A 47 -4.336 -2.832 -11.983 1.00 30.05 O ATOM 699 CB THR A 47 -6.586 -1.312 -14.008 1.00 73.30 C ATOM 700 OG1 THR A 47 -7.941 -1.362 -14.475 1.00 22.51 O ATOM 701 CG2 THR A 47 -5.673 -2.011 -15.006 1.00 62.31 C ATOM 0 H THR A 47 -8.044 -0.672 -12.103 1.00 65.23 H new ATOM 0 HA THR A 47 -6.739 -3.027 -12.702 1.00 31.31 H new ATOM 0 HB THR A 47 -6.270 -0.273 -13.918 1.00 73.30 H new ATOM 0 HG1 THR A 47 -7.999 -0.940 -15.358 1.00 22.51 H new ATOM 0 HG21 THR A 47 -5.761 -1.529 -15.980 1.00 62.31 H new ATOM 0 HG22 THR A 47 -4.641 -1.947 -14.662 1.00 62.31 H new ATOM 0 HG23 THR A 47 -5.962 -3.058 -15.092 1.00 62.31 H new ATOM 709 N LYS A 48 -4.647 -0.613 -11.785 1.00 43.41 N ATOM 710 CA LYS A 48 -3.278 -0.371 -11.342 1.00 13.22 C ATOM 711 C LYS A 48 -3.031 -0.946 -9.949 1.00 74.13 C ATOM 712 O LYS A 48 -1.901 -1.290 -9.606 1.00 74.50 O ATOM 713 CB LYS A 48 -2.906 1.110 -11.431 1.00 20.52 C ATOM 714 CG LYS A 48 -3.828 2.057 -10.694 1.00 45.41 C ATOM 715 CD LYS A 48 -3.570 3.491 -11.125 1.00 65.20 C ATOM 716 CE LYS A 48 -2.105 3.875 -10.961 1.00 50.24 C ATOM 717 NZ LYS A 48 -1.766 5.128 -11.692 1.00 65.40 N ATOM 0 H LYS A 48 -5.238 0.217 -11.821 1.00 43.41 H new ATOM 0 HA LYS A 48 -2.615 -0.900 -12.026 1.00 13.22 H new ATOM 0 HB2 LYS A 48 -1.896 1.237 -11.042 1.00 20.52 H new ATOM 0 HB3 LYS A 48 -2.881 1.398 -12.482 1.00 20.52 H new ATOM 0 HG2 LYS A 48 -4.866 1.792 -10.893 1.00 45.41 H new ATOM 0 HG3 LYS A 48 -3.675 1.961 -9.619 1.00 45.41 H new ATOM 0 HD2 LYS A 48 -3.864 3.616 -12.167 1.00 65.20 H new ATOM 0 HD3 LYS A 48 -4.191 4.165 -10.535 1.00 65.20 H new ATOM 0 HE2 LYS A 48 -1.881 4.002 -9.902 1.00 50.24 H new ATOM 0 HE3 LYS A 48 -1.475 3.063 -11.324 1.00 50.24 H new ATOM 0 HZ1 LYS A 48 -0.760 5.350 -11.552 1.00 65.40 H new ATOM 0 HZ2 LYS A 48 -1.954 5.000 -12.707 1.00 65.40 H new ATOM 0 HZ3 LYS A 48 -2.347 5.910 -11.328 1.00 65.40 H new ATOM 731 N LEU A 49 -4.086 -1.053 -9.150 1.00 74.23 N ATOM 732 CA LEU A 49 -3.993 -1.742 -7.866 1.00 35.22 C ATOM 733 C LEU A 49 -3.630 -3.211 -8.078 1.00 13.01 C ATOM 734 O LEU A 49 -2.806 -3.759 -7.352 1.00 61.51 O ATOM 735 CB LEU A 49 -5.308 -1.629 -7.083 1.00 13.51 C ATOM 736 CG LEU A 49 -5.396 -0.462 -6.092 1.00 71.30 C ATOM 737 CD1 LEU A 49 -4.392 -0.640 -4.966 1.00 55.22 C ATOM 738 CD2 LEU A 49 -5.172 0.867 -6.790 1.00 60.32 C ATOM 0 H LEU A 49 -5.009 -0.675 -9.365 1.00 74.23 H new ATOM 0 HA LEU A 49 -3.207 -1.263 -7.282 1.00 35.22 H new ATOM 0 HB2 LEU A 49 -6.127 -1.538 -7.796 1.00 13.51 H new ATOM 0 HB3 LEU A 49 -5.464 -2.559 -6.536 1.00 13.51 H new ATOM 0 HG LEU A 49 -6.400 -0.459 -5.669 1.00 71.30 H new ATOM 0 HD11 LEU A 49 -4.470 0.198 -4.273 1.00 55.22 H new ATOM 0 HD12 LEU A 49 -4.601 -1.569 -4.436 1.00 55.22 H new ATOM 0 HD13 LEU A 49 -3.384 -0.676 -5.380 1.00 55.22 H new ATOM 0 HD21 LEU A 49 -5.240 1.676 -6.063 1.00 60.32 H new ATOM 0 HD22 LEU A 49 -4.184 0.875 -7.250 1.00 60.32 H new ATOM 0 HD23 LEU A 49 -5.931 1.006 -7.560 1.00 60.32 H new ATOM 750 N LYS A 50 -4.243 -3.840 -9.078 1.00 73.20 N ATOM 751 CA LYS A 50 -3.909 -5.213 -9.441 1.00 75.42 C ATOM 752 C LYS A 50 -2.463 -5.317 -9.916 1.00 51.41 C ATOM 753 O LYS A 50 -1.756 -6.266 -9.571 1.00 33.44 O ATOM 754 CB LYS A 50 -4.852 -5.730 -10.530 1.00 33.13 C ATOM 755 CG LYS A 50 -6.310 -5.777 -10.105 1.00 42.44 C ATOM 756 CD LYS A 50 -6.452 -6.375 -8.717 1.00 64.23 C ATOM 757 CE LYS A 50 -7.872 -6.839 -8.440 1.00 25.11 C ATOM 758 NZ LYS A 50 -8.293 -7.930 -9.360 1.00 44.22 N ATOM 0 H LYS A 50 -4.974 -3.419 -9.651 1.00 73.20 H new ATOM 0 HA LYS A 50 -4.027 -5.829 -8.550 1.00 75.42 H new ATOM 0 HB2 LYS A 50 -4.760 -5.093 -11.410 1.00 33.13 H new ATOM 0 HB3 LYS A 50 -4.537 -6.731 -10.826 1.00 33.13 H new ATOM 0 HG2 LYS A 50 -6.729 -4.771 -10.116 1.00 42.44 H new ATOM 0 HG3 LYS A 50 -6.882 -6.368 -10.820 1.00 42.44 H new ATOM 0 HD2 LYS A 50 -5.769 -7.218 -8.614 1.00 64.23 H new ATOM 0 HD3 LYS A 50 -6.160 -5.635 -7.972 1.00 64.23 H new ATOM 0 HE2 LYS A 50 -7.945 -7.186 -7.409 1.00 25.11 H new ATOM 0 HE3 LYS A 50 -8.555 -5.996 -8.542 1.00 25.11 H new ATOM 0 HZ1 LYS A 50 -9.076 -8.463 -8.931 1.00 44.22 H new ATOM 0 HZ2 LYS A 50 -8.607 -7.521 -10.263 1.00 44.22 H new ATOM 0 HZ3 LYS A 50 -7.491 -8.570 -9.530 1.00 44.22 H new ATOM 772 N GLU A 51 -2.027 -4.338 -10.704 1.00 11.24 N ATOM 773 CA GLU A 51 -0.648 -4.291 -11.179 1.00 21.22 C ATOM 774 C GLU A 51 0.310 -4.242 -9.994 1.00 71.10 C ATOM 775 O GLU A 51 1.316 -4.953 -9.958 1.00 65.13 O ATOM 776 CB GLU A 51 -0.431 -3.066 -12.074 1.00 24.45 C ATOM 777 CG GLU A 51 -1.391 -2.986 -13.250 1.00 22.30 C ATOM 778 CD GLU A 51 -1.150 -1.768 -14.124 1.00 71.11 C ATOM 779 OE1 GLU A 51 -1.441 -0.639 -13.680 1.00 3.41 O ATOM 780 OE2 GLU A 51 -0.676 -1.931 -15.267 1.00 13.53 O ATOM 0 H GLU A 51 -2.610 -3.566 -11.027 1.00 11.24 H new ATOM 0 HA GLU A 51 -0.451 -5.190 -11.763 1.00 21.22 H new ATOM 0 HB2 GLU A 51 -0.535 -2.164 -11.471 1.00 24.45 H new ATOM 0 HB3 GLU A 51 0.591 -3.081 -12.452 1.00 24.45 H new ATOM 0 HG2 GLU A 51 -1.293 -3.887 -13.855 1.00 22.30 H new ATOM 0 HG3 GLU A 51 -2.415 -2.963 -12.877 1.00 22.30 H new ATOM 787 N LEU A 52 -0.027 -3.407 -9.023 1.00 32.24 N ATOM 788 CA LEU A 52 0.779 -3.245 -7.819 1.00 54.34 C ATOM 789 C LEU A 52 0.700 -4.475 -6.919 1.00 62.31 C ATOM 790 O LEU A 52 1.695 -4.870 -6.308 1.00 33.53 O ATOM 791 CB LEU A 52 0.328 -1.999 -7.058 1.00 74.11 C ATOM 792 CG LEU A 52 0.742 -0.676 -7.701 1.00 64.13 C ATOM 793 CD1 LEU A 52 0.149 0.499 -6.940 1.00 1.12 C ATOM 794 CD2 LEU A 52 2.259 -0.572 -7.746 1.00 55.13 C ATOM 0 H LEU A 52 -0.863 -2.824 -9.045 1.00 32.24 H new ATOM 0 HA LEU A 52 1.819 -3.127 -8.122 1.00 54.34 H new ATOM 0 HB2 LEU A 52 -0.758 -2.019 -6.966 1.00 74.11 H new ATOM 0 HB3 LEU A 52 0.734 -2.040 -6.047 1.00 74.11 H new ATOM 0 HG LEU A 52 0.358 -0.648 -8.721 1.00 64.13 H new ATOM 0 HD11 LEU A 52 0.456 1.431 -7.414 1.00 1.12 H new ATOM 0 HD12 LEU A 52 -0.939 0.427 -6.950 1.00 1.12 H new ATOM 0 HD13 LEU A 52 0.504 0.482 -5.910 1.00 1.12 H new ATOM 0 HD21 LEU A 52 2.545 0.374 -8.206 1.00 55.13 H new ATOM 0 HD22 LEU A 52 2.657 -0.618 -6.732 1.00 55.13 H new ATOM 0 HD23 LEU A 52 2.663 -1.397 -8.332 1.00 55.13 H new ATOM 806 N ALA A 53 -0.481 -5.079 -6.846 1.00 41.11 N ATOM 807 CA ALA A 53 -0.690 -6.268 -6.026 1.00 11.41 C ATOM 808 C ALA A 53 0.201 -7.417 -6.487 1.00 11.52 C ATOM 809 O ALA A 53 0.742 -8.157 -5.667 1.00 40.12 O ATOM 810 CB ALA A 53 -2.151 -6.690 -6.057 1.00 40.43 C ATOM 0 H ALA A 53 -1.312 -4.764 -7.347 1.00 41.11 H new ATOM 0 HA ALA A 53 -0.420 -6.017 -5.000 1.00 11.41 H new ATOM 0 HB1 ALA A 53 -2.286 -7.578 -5.440 1.00 40.43 H new ATOM 0 HB2 ALA A 53 -2.772 -5.881 -5.671 1.00 40.43 H new ATOM 0 HB3 ALA A 53 -2.444 -6.913 -7.083 1.00 40.43 H new ATOM 816 N ALA A 54 0.359 -7.550 -7.802 1.00 30.53 N ATOM 817 CA ALA A 54 1.192 -8.601 -8.378 1.00 50.04 C ATOM 818 C ALA A 54 2.662 -8.413 -8.011 1.00 23.14 C ATOM 819 O ALA A 54 3.413 -9.382 -7.903 1.00 21.42 O ATOM 820 CB ALA A 54 1.031 -8.637 -9.891 1.00 23.14 C ATOM 0 H ALA A 54 -0.081 -6.940 -8.491 1.00 30.53 H new ATOM 0 HA ALA A 54 0.860 -9.552 -7.961 1.00 50.04 H new ATOM 0 HB1 ALA A 54 1.659 -9.426 -10.305 1.00 23.14 H new ATOM 0 HB2 ALA A 54 -0.011 -8.834 -10.141 1.00 23.14 H new ATOM 0 HB3 ALA A 54 1.330 -7.677 -10.312 1.00 23.14 H new ATOM 826 N ALA A 55 3.069 -7.163 -7.831 1.00 15.05 N ATOM 827 CA ALA A 55 4.444 -6.860 -7.461 1.00 25.53 C ATOM 828 C ALA A 55 4.680 -7.140 -5.981 1.00 14.01 C ATOM 829 O ALA A 55 5.673 -7.767 -5.613 1.00 21.34 O ATOM 830 CB ALA A 55 4.775 -5.411 -7.788 1.00 44.34 C ATOM 0 H ALA A 55 2.468 -6.345 -7.935 1.00 15.05 H new ATOM 0 HA ALA A 55 5.104 -7.506 -8.040 1.00 25.53 H new ATOM 0 HB1 ALA A 55 5.806 -5.201 -7.505 1.00 44.34 H new ATOM 0 HB2 ALA A 55 4.650 -5.242 -8.858 1.00 44.34 H new ATOM 0 HB3 ALA A 55 4.106 -4.751 -7.236 1.00 44.34 H new ATOM 836 N ALA A 56 3.753 -6.681 -5.144 1.00 63.51 N ATOM 837 CA ALA A 56 3.859 -6.855 -3.698 1.00 50.11 C ATOM 838 C ALA A 56 3.695 -8.321 -3.301 1.00 31.12 C ATOM 839 O ALA A 56 4.514 -8.878 -2.567 1.00 55.23 O ATOM 840 CB ALA A 56 2.816 -5.999 -2.993 1.00 43.23 C ATOM 0 H ALA A 56 2.915 -6.183 -5.445 1.00 63.51 H new ATOM 0 HA ALA A 56 4.854 -6.535 -3.390 1.00 50.11 H new ATOM 0 HB1 ALA A 56 2.902 -6.135 -1.915 1.00 43.23 H new ATOM 0 HB2 ALA A 56 2.978 -4.950 -3.241 1.00 43.23 H new ATOM 0 HB3 ALA A 56 1.820 -6.298 -3.318 1.00 43.23 H new ATOM 846 N SER A 57 2.634 -8.937 -3.792 1.00 63.11 N ATOM 847 CA SER A 57 2.357 -10.328 -3.496 1.00 53.42 C ATOM 848 C SER A 57 2.462 -11.162 -4.763 1.00 52.22 C ATOM 849 O SER A 57 1.758 -10.909 -5.740 1.00 1.23 O ATOM 850 CB SER A 57 0.966 -10.466 -2.874 1.00 41.12 C ATOM 851 OG SER A 57 -0.024 -9.848 -3.684 1.00 43.44 O ATOM 0 H SER A 57 1.948 -8.491 -4.401 1.00 63.11 H new ATOM 0 HA SER A 57 3.093 -10.693 -2.780 1.00 53.42 H new ATOM 0 HB2 SER A 57 0.726 -11.521 -2.744 1.00 41.12 H new ATOM 0 HB3 SER A 57 0.962 -10.014 -1.882 1.00 41.12 H new ATOM 0 HG SER A 57 0.406 -9.400 -4.442 1.00 43.44 H new ATOM 857 N SER A 58 3.356 -12.139 -4.752 1.00 71.22 N ATOM 858 CA SER A 58 3.554 -12.997 -5.907 1.00 2.45 C ATOM 859 C SER A 58 2.365 -13.942 -6.077 1.00 50.23 C ATOM 860 O SER A 58 1.435 -13.646 -6.832 1.00 52.53 O ATOM 861 CB SER A 58 4.852 -13.788 -5.752 1.00 10.03 C ATOM 862 OG SER A 58 5.923 -12.940 -5.373 1.00 72.14 O ATOM 0 H SER A 58 3.955 -12.356 -3.956 1.00 71.22 H new ATOM 0 HA SER A 58 3.628 -12.377 -6.800 1.00 2.45 H new ATOM 0 HB2 SER A 58 4.719 -14.568 -5.003 1.00 10.03 H new ATOM 0 HB3 SER A 58 5.093 -14.286 -6.691 1.00 10.03 H new ATOM 0 HG SER A 58 6.742 -13.470 -5.279 1.00 72.14 H new ATOM 868 N ALA A 59 2.396 -15.065 -5.353 1.00 12.51 N ATOM 869 CA ALA A 59 1.335 -16.047 -5.377 1.00 33.14 C ATOM 870 C ALA A 59 1.033 -16.502 -6.796 1.00 23.43 C ATOM 871 O ALA A 59 1.818 -16.299 -7.729 1.00 10.43 O ATOM 872 CB ALA A 59 0.083 -15.483 -4.713 1.00 62.00 C ATOM 0 H ALA A 59 3.168 -15.309 -4.733 1.00 12.51 H new ATOM 0 HA ALA A 59 1.668 -16.920 -4.816 1.00 33.14 H new ATOM 0 HB1 ALA A 59 -0.710 -16.231 -4.737 1.00 62.00 H new ATOM 0 HB2 ALA A 59 0.306 -15.223 -3.678 1.00 62.00 H new ATOM 0 HB3 ALA A 59 -0.243 -14.592 -5.249 1.00 62.00 H new ATOM 878 N ASP A 60 -0.098 -17.142 -6.935 1.00 51.44 N ATOM 879 CA ASP A 60 -0.593 -17.557 -8.241 1.00 60.15 C ATOM 880 C ASP A 60 -1.215 -16.372 -8.962 1.00 21.53 C ATOM 881 O ASP A 60 -0.896 -16.094 -10.118 1.00 41.32 O ATOM 882 CB ASP A 60 -1.630 -18.676 -8.110 1.00 52.14 C ATOM 883 CG ASP A 60 -1.017 -20.002 -7.713 1.00 11.33 C ATOM 884 OD1 ASP A 60 -0.813 -20.238 -6.500 1.00 22.34 O ATOM 885 OD2 ASP A 60 -0.735 -20.819 -8.612 1.00 61.34 O ATOM 0 H ASP A 60 -0.707 -17.394 -6.156 1.00 51.44 H new ATOM 0 HA ASP A 60 0.253 -17.935 -8.816 1.00 60.15 H new ATOM 0 HB2 ASP A 60 -2.375 -18.389 -7.368 1.00 52.14 H new ATOM 0 HB3 ASP A 60 -2.153 -18.793 -9.059 1.00 52.14 H new ATOM 890 N GLU A 61 -2.106 -15.675 -8.268 1.00 5.43 N ATOM 891 CA GLU A 61 -2.817 -14.540 -8.838 1.00 65.12 C ATOM 892 C GLU A 61 -2.734 -13.331 -7.912 1.00 42.44 C ATOM 893 O GLU A 61 -3.513 -12.381 -8.038 1.00 62.23 O ATOM 894 CB GLU A 61 -4.278 -14.922 -9.073 1.00 24.01 C ATOM 895 CG GLU A 61 -4.443 -16.070 -10.051 1.00 21.50 C ATOM 896 CD GLU A 61 -5.859 -16.586 -10.113 1.00 22.43 C ATOM 897 OE1 GLU A 61 -6.689 -15.976 -10.815 1.00 73.42 O ATOM 898 OE2 GLU A 61 -6.144 -17.611 -9.459 1.00 70.12 O ATOM 0 H GLU A 61 -2.354 -15.880 -7.300 1.00 5.43 H new ATOM 0 HA GLU A 61 -2.353 -14.274 -9.788 1.00 65.12 H new ATOM 0 HB2 GLU A 61 -4.734 -15.195 -8.121 1.00 24.01 H new ATOM 0 HB3 GLU A 61 -4.819 -14.053 -9.447 1.00 24.01 H new ATOM 0 HG2 GLU A 61 -4.137 -15.742 -11.044 1.00 21.50 H new ATOM 0 HG3 GLU A 61 -3.777 -16.884 -9.765 1.00 21.50 H new ATOM 905 N GLY A 62 -1.785 -13.372 -6.989 1.00 65.33 N ATOM 906 CA GLY A 62 -1.613 -12.283 -6.052 1.00 60.33 C ATOM 907 C GLY A 62 -2.392 -12.506 -4.771 1.00 3.34 C ATOM 908 O GLY A 62 -3.015 -13.554 -4.590 1.00 14.40 O ATOM 0 H GLY A 62 -1.129 -14.144 -6.872 1.00 65.33 H new ATOM 0 HA2 GLY A 62 -0.554 -12.171 -5.817 1.00 60.33 H new ATOM 0 HA3 GLY A 62 -1.937 -11.351 -6.516 1.00 60.33 H new ATOM 912 N ALA A 63 -2.346 -11.526 -3.880 1.00 72.42 N ATOM 913 CA ALA A 63 -3.069 -11.591 -2.616 1.00 51.33 C ATOM 914 C ALA A 63 -4.578 -11.542 -2.840 1.00 33.41 C ATOM 915 O ALA A 63 -5.045 -11.232 -3.938 1.00 22.40 O ATOM 916 CB ALA A 63 -2.636 -10.451 -1.708 1.00 75.35 C ATOM 0 H ALA A 63 -1.810 -10.668 -4.011 1.00 72.42 H new ATOM 0 HA ALA A 63 -2.830 -12.541 -2.137 1.00 51.33 H new ATOM 0 HB1 ALA A 63 -3.182 -10.508 -0.766 1.00 75.35 H new ATOM 0 HB2 ALA A 63 -1.566 -10.528 -1.513 1.00 75.35 H new ATOM 0 HB3 ALA A 63 -2.849 -9.498 -2.193 1.00 75.35 H new ATOM 922 N SER A 64 -5.334 -11.843 -1.793 1.00 73.03 N ATOM 923 CA SER A 64 -6.787 -11.813 -1.866 1.00 13.25 C ATOM 924 C SER A 64 -7.280 -10.372 -1.920 1.00 31.33 C ATOM 925 O SER A 64 -6.742 -9.502 -1.239 1.00 73.22 O ATOM 926 CB SER A 64 -7.375 -12.533 -0.656 1.00 54.03 C ATOM 927 OG SER A 64 -6.856 -13.851 -0.560 1.00 72.43 O ATOM 0 H SER A 64 -4.963 -12.111 -0.881 1.00 73.03 H new ATOM 0 HA SER A 64 -7.112 -12.322 -2.773 1.00 13.25 H new ATOM 0 HB2 SER A 64 -7.143 -11.978 0.253 1.00 54.03 H new ATOM 0 HB3 SER A 64 -8.461 -12.569 -0.739 1.00 54.03 H new ATOM 0 HG SER A 64 -7.242 -14.298 0.222 1.00 72.43 H new ATOM 933 N VAL A 65 -8.296 -10.121 -2.728 1.00 44.14 N ATOM 934 CA VAL A 65 -8.796 -8.773 -2.909 1.00 5.32 C ATOM 935 C VAL A 65 -10.323 -8.737 -2.879 1.00 64.30 C ATOM 936 O VAL A 65 -10.999 -9.339 -3.715 1.00 54.23 O ATOM 937 CB VAL A 65 -8.267 -8.150 -4.225 1.00 12.20 C ATOM 938 CG1 VAL A 65 -8.564 -9.045 -5.422 1.00 44.21 C ATOM 939 CG2 VAL A 65 -8.845 -6.758 -4.438 1.00 3.44 C ATOM 0 H VAL A 65 -8.789 -10.833 -3.267 1.00 44.14 H new ATOM 0 HA VAL A 65 -8.426 -8.176 -2.075 1.00 5.32 H new ATOM 0 HB VAL A 65 -7.184 -8.061 -4.135 1.00 12.20 H new ATOM 0 HG11 VAL A 65 -8.180 -8.579 -6.329 1.00 44.21 H new ATOM 0 HG12 VAL A 65 -8.084 -10.013 -5.280 1.00 44.21 H new ATOM 0 HG13 VAL A 65 -9.641 -9.184 -5.514 1.00 44.21 H new ATOM 0 HG21 VAL A 65 -8.458 -6.342 -5.368 1.00 3.44 H new ATOM 0 HG22 VAL A 65 -9.932 -6.820 -4.492 1.00 3.44 H new ATOM 0 HG23 VAL A 65 -8.559 -6.114 -3.606 1.00 3.44 H new ATOM 949 N ALA A 66 -10.856 -8.047 -1.887 1.00 0.14 N ATOM 950 CA ALA A 66 -12.288 -7.819 -1.788 1.00 21.41 C ATOM 951 C ALA A 66 -12.562 -6.327 -1.880 1.00 35.15 C ATOM 952 O ALA A 66 -12.278 -5.578 -0.946 1.00 43.34 O ATOM 953 CB ALA A 66 -12.834 -8.391 -0.489 1.00 63.04 C ATOM 0 H ALA A 66 -10.313 -7.631 -1.131 1.00 0.14 H new ATOM 0 HA ALA A 66 -12.793 -8.327 -2.610 1.00 21.41 H new ATOM 0 HB1 ALA A 66 -13.907 -8.210 -0.434 1.00 63.04 H new ATOM 0 HB2 ALA A 66 -12.645 -9.464 -0.456 1.00 63.04 H new ATOM 0 HB3 ALA A 66 -12.341 -7.910 0.356 1.00 63.04 H new ATOM 959 N TYR A 67 -13.097 -5.890 -3.004 1.00 54.34 N ATOM 960 CA TYR A 67 -13.224 -4.466 -3.259 1.00 14.20 C ATOM 961 C TYR A 67 -14.639 -3.974 -3.005 1.00 50.43 C ATOM 962 O TYR A 67 -15.609 -4.709 -3.185 1.00 43.51 O ATOM 963 CB TYR A 67 -12.788 -4.132 -4.693 1.00 1.20 C ATOM 964 CG TYR A 67 -13.635 -4.762 -5.787 1.00 2.44 C ATOM 965 CD1 TYR A 67 -14.810 -4.154 -6.216 1.00 0.31 C ATOM 966 CD2 TYR A 67 -13.252 -5.950 -6.401 1.00 62.40 C ATOM 967 CE1 TYR A 67 -15.579 -4.712 -7.217 1.00 73.44 C ATOM 968 CE2 TYR A 67 -14.017 -6.511 -7.408 1.00 12.11 C ATOM 969 CZ TYR A 67 -15.179 -5.887 -7.809 1.00 0.44 C ATOM 970 OH TYR A 67 -15.944 -6.433 -8.815 1.00 35.31 O ATOM 0 H TYR A 67 -13.448 -6.492 -3.749 1.00 54.34 H new ATOM 0 HA TYR A 67 -12.564 -3.948 -2.563 1.00 14.20 H new ATOM 0 HB2 TYR A 67 -12.806 -3.049 -4.819 1.00 1.20 H new ATOM 0 HB3 TYR A 67 -11.754 -4.451 -4.826 1.00 1.20 H new ATOM 0 HD1 TYR A 67 -15.126 -3.229 -5.758 1.00 0.31 H new ATOM 0 HD2 TYR A 67 -12.343 -6.442 -6.087 1.00 62.40 H new ATOM 0 HE1 TYR A 67 -16.491 -4.228 -7.534 1.00 73.44 H new ATOM 0 HE2 TYR A 67 -13.706 -7.433 -7.877 1.00 12.11 H new ATOM 0 HH TYR A 67 -15.527 -7.262 -9.130 1.00 35.31 H new ATOM 980 N LYS A 68 -14.740 -2.736 -2.558 1.00 23.34 N ATOM 981 CA LYS A 68 -16.020 -2.076 -2.406 1.00 52.14 C ATOM 982 C LYS A 68 -16.198 -1.043 -3.489 1.00 45.51 C ATOM 983 O LYS A 68 -15.264 -0.320 -3.838 1.00 42.11 O ATOM 984 CB LYS A 68 -16.127 -1.366 -1.064 1.00 20.13 C ATOM 985 CG LYS A 68 -16.056 -2.280 0.131 1.00 13.54 C ATOM 986 CD LYS A 68 -15.737 -1.473 1.373 1.00 52.40 C ATOM 987 CE LYS A 68 -15.406 -2.345 2.568 1.00 75.44 C ATOM 988 NZ LYS A 68 -14.811 -1.538 3.664 1.00 1.23 N ATOM 0 H LYS A 68 -13.939 -2.163 -2.291 1.00 23.34 H new ATOM 0 HA LYS A 68 -16.789 -2.846 -2.470 1.00 52.14 H new ATOM 0 HB2 LYS A 68 -15.326 -0.630 -0.991 1.00 20.13 H new ATOM 0 HB3 LYS A 68 -17.068 -0.817 -1.031 1.00 20.13 H new ATOM 0 HG2 LYS A 68 -17.004 -2.802 0.258 1.00 13.54 H new ATOM 0 HG3 LYS A 68 -15.292 -3.041 -0.026 1.00 13.54 H new ATOM 0 HD2 LYS A 68 -14.895 -0.813 1.166 1.00 52.40 H new ATOM 0 HD3 LYS A 68 -16.588 -0.837 1.617 1.00 52.40 H new ATOM 0 HE2 LYS A 68 -16.310 -2.839 2.924 1.00 75.44 H new ATOM 0 HE3 LYS A 68 -14.710 -3.129 2.269 1.00 75.44 H new ATOM 0 HZ1 LYS A 68 -14.438 -2.172 4.399 1.00 1.23 H new ATOM 0 HZ2 LYS A 68 -14.038 -0.955 3.285 1.00 1.23 H new ATOM 0 HZ3 LYS A 68 -15.540 -0.921 4.076 1.00 1.23 H new ATOM 1002 N ILE A 69 -17.398 -0.991 -4.009 1.00 45.32 N ATOM 1003 CA ILE A 69 -17.793 0.051 -4.939 1.00 72.14 C ATOM 1004 C ILE A 69 -19.163 0.573 -4.544 1.00 63.23 C ATOM 1005 O ILE A 69 -20.180 -0.090 -4.764 1.00 32.20 O ATOM 1006 CB ILE A 69 -17.842 -0.437 -6.404 1.00 21.51 C ATOM 1007 CG1 ILE A 69 -16.476 -0.963 -6.847 1.00 22.50 C ATOM 1008 CG2 ILE A 69 -18.293 0.700 -7.315 1.00 22.44 C ATOM 1009 CD1 ILE A 69 -16.452 -1.466 -8.275 1.00 1.44 C ATOM 0 H ILE A 69 -18.133 -1.667 -3.803 1.00 45.32 H new ATOM 0 HA ILE A 69 -17.039 0.837 -4.885 1.00 72.14 H new ATOM 0 HB ILE A 69 -18.559 -1.255 -6.474 1.00 21.51 H new ATOM 0 HG12 ILE A 69 -15.738 -0.168 -6.738 1.00 22.50 H new ATOM 0 HG13 ILE A 69 -16.174 -1.771 -6.181 1.00 22.50 H new ATOM 0 HG21 ILE A 69 -18.325 0.349 -8.346 1.00 22.44 H new ATOM 0 HG22 ILE A 69 -19.286 1.035 -7.015 1.00 22.44 H new ATOM 0 HG23 ILE A 69 -17.591 1.530 -7.236 1.00 22.44 H new ATOM 0 HD11 ILE A 69 -15.451 -1.823 -8.518 1.00 1.44 H new ATOM 0 HD12 ILE A 69 -17.165 -2.283 -8.385 1.00 1.44 H new ATOM 0 HD13 ILE A 69 -16.722 -0.655 -8.951 1.00 1.44 H new ATOM 1021 N LYS A 70 -19.186 1.740 -3.934 1.00 34.32 N ATOM 1022 CA LYS A 70 -20.437 2.340 -3.514 1.00 25.45 C ATOM 1023 C LYS A 70 -20.806 3.478 -4.442 1.00 45.23 C ATOM 1024 O LYS A 70 -20.070 4.459 -4.571 1.00 71.53 O ATOM 1025 CB LYS A 70 -20.345 2.827 -2.072 1.00 71.40 C ATOM 1026 CG LYS A 70 -21.651 3.377 -1.517 1.00 52.33 C ATOM 1027 CD LYS A 70 -21.542 3.652 -0.026 1.00 33.42 C ATOM 1028 CE LYS A 70 -22.825 4.245 0.538 1.00 50.52 C ATOM 1029 NZ LYS A 70 -23.997 3.355 0.327 1.00 72.10 N ATOM 0 H LYS A 70 -18.355 2.291 -3.718 1.00 34.32 H new ATOM 0 HA LYS A 70 -21.220 1.583 -3.564 1.00 25.45 H new ATOM 0 HB2 LYS A 70 -20.014 2.002 -1.442 1.00 71.40 H new ATOM 0 HB3 LYS A 70 -19.581 3.602 -2.010 1.00 71.40 H new ATOM 0 HG2 LYS A 70 -21.913 4.296 -2.041 1.00 52.33 H new ATOM 0 HG3 LYS A 70 -22.456 2.665 -1.700 1.00 52.33 H new ATOM 0 HD2 LYS A 70 -21.310 2.725 0.498 1.00 33.42 H new ATOM 0 HD3 LYS A 70 -20.714 4.337 0.157 1.00 33.42 H new ATOM 0 HE2 LYS A 70 -22.699 4.430 1.605 1.00 50.52 H new ATOM 0 HE3 LYS A 70 -23.015 5.210 0.067 1.00 50.52 H new ATOM 0 HZ1 LYS A 70 -24.803 3.705 0.883 1.00 72.10 H new ATOM 0 HZ2 LYS A 70 -24.250 3.347 -0.682 1.00 72.10 H new ATOM 0 HZ3 LYS A 70 -23.759 2.390 0.632 1.00 72.10 H new ATOM 1043 N ASP A 71 -21.948 3.326 -5.082 1.00 60.11 N ATOM 1044 CA ASP A 71 -22.432 4.284 -6.053 1.00 21.41 C ATOM 1045 C ASP A 71 -23.101 5.447 -5.324 1.00 34.11 C ATOM 1046 O ASP A 71 -24.267 5.355 -4.939 1.00 44.23 O ATOM 1047 CB ASP A 71 -23.443 3.619 -6.996 1.00 24.45 C ATOM 1048 CG ASP A 71 -23.033 2.222 -7.437 1.00 63.23 C ATOM 1049 OD1 ASP A 71 -22.338 2.087 -8.468 1.00 23.43 O ATOM 1050 OD2 ASP A 71 -23.432 1.246 -6.762 1.00 74.32 O ATOM 0 H ASP A 71 -22.569 2.529 -4.942 1.00 60.11 H new ATOM 0 HA ASP A 71 -21.591 4.652 -6.641 1.00 21.41 H new ATOM 0 HB2 ASP A 71 -24.411 3.565 -6.498 1.00 24.45 H new ATOM 0 HB3 ASP A 71 -23.573 4.246 -7.878 1.00 24.45 H new ATOM 1055 N LEU A 72 -22.358 6.520 -5.106 1.00 53.24 N ATOM 1056 CA LEU A 72 -22.879 7.671 -4.381 1.00 44.32 C ATOM 1057 C LEU A 72 -23.393 8.734 -5.341 1.00 73.41 C ATOM 1058 O LEU A 72 -23.405 8.542 -6.559 1.00 72.32 O ATOM 1059 CB LEU A 72 -21.796 8.270 -3.478 1.00 24.22 C ATOM 1060 CG LEU A 72 -21.334 7.376 -2.330 1.00 55.12 C ATOM 1061 CD1 LEU A 72 -20.155 8.007 -1.604 1.00 61.32 C ATOM 1062 CD2 LEU A 72 -22.483 7.129 -1.367 1.00 75.23 C ATOM 0 H LEU A 72 -21.393 6.619 -5.420 1.00 53.24 H new ATOM 0 HA LEU A 72 -23.710 7.329 -3.764 1.00 44.32 H new ATOM 0 HB2 LEU A 72 -20.931 8.520 -4.093 1.00 24.22 H new ATOM 0 HB3 LEU A 72 -22.171 9.205 -3.060 1.00 24.22 H new ATOM 0 HG LEU A 72 -21.010 6.419 -2.740 1.00 55.12 H new ATOM 0 HD11 LEU A 72 -19.839 7.356 -0.789 1.00 61.32 H new ATOM 0 HD12 LEU A 72 -19.328 8.142 -2.302 1.00 61.32 H new ATOM 0 HD13 LEU A 72 -20.452 8.975 -1.201 1.00 61.32 H new ATOM 0 HD21 LEU A 72 -22.143 6.490 -0.552 1.00 75.23 H new ATOM 0 HD22 LEU A 72 -22.830 8.080 -0.963 1.00 75.23 H new ATOM 0 HD23 LEU A 72 -23.301 6.639 -1.895 1.00 75.23 H new ATOM 1074 N GLU A 73 -23.814 9.857 -4.785 1.00 23.43 N ATOM 1075 CA GLU A 73 -24.349 10.951 -5.573 1.00 1.01 C ATOM 1076 C GLU A 73 -23.249 11.955 -5.905 1.00 60.04 C ATOM 1077 O GLU A 73 -22.900 12.807 -5.086 1.00 1.51 O ATOM 1078 CB GLU A 73 -25.472 11.637 -4.801 1.00 70.31 C ATOM 1079 CG GLU A 73 -26.265 12.635 -5.619 1.00 62.41 C ATOM 1080 CD GLU A 73 -27.254 13.402 -4.774 1.00 30.54 C ATOM 1081 OE1 GLU A 73 -28.047 12.768 -4.047 1.00 32.54 O ATOM 1082 OE2 GLU A 73 -27.228 14.651 -4.815 1.00 74.10 O ATOM 0 H GLU A 73 -23.794 10.035 -3.781 1.00 23.43 H new ATOM 0 HA GLU A 73 -24.746 10.554 -6.507 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -26.152 10.876 -4.417 1.00 70.31 H new ATOM 0 HB3 GLU A 73 -25.046 12.148 -3.938 1.00 70.31 H new ATOM 0 HG2 GLU A 73 -25.581 13.334 -6.100 1.00 62.41 H new ATOM 0 HG3 GLU A 73 -26.797 12.111 -6.413 1.00 62.41 H new ATOM 1089 N GLY A 74 -22.685 11.829 -7.094 1.00 12.40 N ATOM 1090 CA GLY A 74 -21.642 12.744 -7.518 1.00 54.51 C ATOM 1091 C GLY A 74 -20.257 12.149 -7.384 1.00 60.22 C ATOM 1092 O GLY A 74 -19.296 12.660 -7.960 1.00 71.13 O ATOM 0 H GLY A 74 -22.929 11.110 -7.775 1.00 12.40 H new ATOM 0 HA2 GLY A 74 -21.813 13.028 -8.556 1.00 54.51 H new ATOM 0 HA3 GLY A 74 -21.701 13.656 -6.924 1.00 54.51 H new ATOM 1096 N GLN A 75 -20.152 11.070 -6.626 1.00 12.51 N ATOM 1097 CA GLN A 75 -18.878 10.398 -6.423 1.00 65.04 C ATOM 1098 C GLN A 75 -19.103 8.924 -6.129 1.00 53.02 C ATOM 1099 O GLN A 75 -20.239 8.469 -6.037 1.00 4.34 O ATOM 1100 CB GLN A 75 -18.098 11.043 -5.271 1.00 73.13 C ATOM 1101 CG GLN A 75 -18.834 11.021 -3.939 1.00 20.53 C ATOM 1102 CD GLN A 75 -17.944 11.413 -2.774 1.00 32.52 C ATOM 1103 OE1 GLN A 75 -17.817 12.589 -2.437 1.00 12.33 O ATOM 1104 NE2 GLN A 75 -17.331 10.424 -2.142 1.00 64.02 N ATOM 0 H GLN A 75 -20.937 10.639 -6.139 1.00 12.51 H new ATOM 0 HA GLN A 75 -18.293 10.497 -7.337 1.00 65.04 H new ATOM 0 HB2 GLN A 75 -17.145 10.527 -5.157 1.00 73.13 H new ATOM 0 HB3 GLN A 75 -17.871 12.077 -5.533 1.00 73.13 H new ATOM 0 HG2 GLN A 75 -19.684 11.701 -3.987 1.00 20.53 H new ATOM 0 HG3 GLN A 75 -19.234 10.022 -3.766 1.00 20.53 H new ATOM 0 HE21 GLN A 75 -17.462 9.461 -2.453 1.00 64.02 H new ATOM 0 HE22 GLN A 75 -16.728 10.625 -1.345 1.00 64.02 H new ATOM 1113 N VAL A 76 -18.016 8.182 -6.000 1.00 44.24 N ATOM 1114 CA VAL A 76 -18.083 6.779 -5.618 1.00 51.30 C ATOM 1115 C VAL A 76 -16.989 6.451 -4.614 1.00 24.33 C ATOM 1116 O VAL A 76 -15.954 7.121 -4.569 1.00 0.32 O ATOM 1117 CB VAL A 76 -17.938 5.837 -6.832 1.00 13.50 C ATOM 1118 CG1 VAL A 76 -19.130 5.966 -7.767 1.00 50.33 C ATOM 1119 CG2 VAL A 76 -16.641 6.115 -7.573 1.00 32.50 C ATOM 0 H VAL A 76 -17.070 8.530 -6.155 1.00 44.24 H new ATOM 0 HA VAL A 76 -19.066 6.621 -5.173 1.00 51.30 H new ATOM 0 HB VAL A 76 -17.910 4.812 -6.463 1.00 13.50 H new ATOM 0 HG11 VAL A 76 -19.003 5.292 -8.614 1.00 50.33 H new ATOM 0 HG12 VAL A 76 -20.043 5.707 -7.231 1.00 50.33 H new ATOM 0 HG13 VAL A 76 -19.200 6.992 -8.128 1.00 50.33 H new ATOM 0 HG21 VAL A 76 -16.557 5.441 -8.425 1.00 32.50 H new ATOM 0 HG22 VAL A 76 -16.637 7.147 -7.925 1.00 32.50 H new ATOM 0 HG23 VAL A 76 -15.797 5.957 -6.901 1.00 32.50 H new ATOM 1129 N GLU A 77 -17.224 5.429 -3.807 1.00 25.23 N ATOM 1130 CA GLU A 77 -16.222 4.954 -2.868 1.00 61.11 C ATOM 1131 C GLU A 77 -15.567 3.690 -3.386 1.00 54.30 C ATOM 1132 O GLU A 77 -16.224 2.657 -3.540 1.00 60.22 O ATOM 1133 CB GLU A 77 -16.831 4.678 -1.495 1.00 44.30 C ATOM 1134 CG GLU A 77 -17.083 5.925 -0.679 1.00 2.41 C ATOM 1135 CD GLU A 77 -17.741 5.628 0.651 1.00 51.44 C ATOM 1136 OE1 GLU A 77 -18.290 4.516 0.815 1.00 33.35 O ATOM 1137 OE2 GLU A 77 -17.693 6.496 1.546 1.00 15.14 O ATOM 0 H GLU A 77 -18.103 4.911 -3.784 1.00 25.23 H new ATOM 0 HA GLU A 77 -15.473 5.740 -2.766 1.00 61.11 H new ATOM 0 HB2 GLU A 77 -17.772 4.144 -1.626 1.00 44.30 H new ATOM 0 HB3 GLU A 77 -16.165 4.019 -0.938 1.00 44.30 H new ATOM 0 HG2 GLU A 77 -16.137 6.438 -0.505 1.00 2.41 H new ATOM 0 HG3 GLU A 77 -17.715 6.606 -1.249 1.00 2.41 H new ATOM 1144 N LEU A 78 -14.285 3.786 -3.670 1.00 12.03 N ATOM 1145 CA LEU A 78 -13.500 2.625 -4.045 1.00 73.45 C ATOM 1146 C LEU A 78 -12.639 2.229 -2.859 1.00 13.34 C ATOM 1147 O LEU A 78 -11.725 2.958 -2.479 1.00 71.02 O ATOM 1148 CB LEU A 78 -12.638 2.929 -5.283 1.00 30.32 C ATOM 1149 CG LEU A 78 -11.966 1.718 -5.963 1.00 24.24 C ATOM 1150 CD1 LEU A 78 -10.748 1.240 -5.183 1.00 52.21 C ATOM 1151 CD2 LEU A 78 -12.963 0.581 -6.137 1.00 40.14 C ATOM 0 H LEU A 78 -13.761 4.661 -3.648 1.00 12.03 H new ATOM 0 HA LEU A 78 -14.158 1.797 -4.309 1.00 73.45 H new ATOM 0 HB2 LEU A 78 -13.264 3.432 -6.020 1.00 30.32 H new ATOM 0 HB3 LEU A 78 -11.859 3.634 -4.993 1.00 30.32 H new ATOM 0 HG LEU A 78 -11.625 2.042 -6.946 1.00 24.24 H new ATOM 0 HD11 LEU A 78 -10.302 0.386 -5.693 1.00 52.21 H new ATOM 0 HD12 LEU A 78 -10.018 2.047 -5.119 1.00 52.21 H new ATOM 0 HD13 LEU A 78 -11.052 0.945 -4.179 1.00 52.21 H new ATOM 0 HD21 LEU A 78 -12.471 -0.264 -6.618 1.00 40.14 H new ATOM 0 HD22 LEU A 78 -13.339 0.274 -5.161 1.00 40.14 H new ATOM 0 HD23 LEU A 78 -13.794 0.918 -6.757 1.00 40.14 H new ATOM 1163 N ASP A 79 -12.956 1.092 -2.270 1.00 44.04 N ATOM 1164 CA ASP A 79 -12.244 0.619 -1.085 1.00 71.33 C ATOM 1165 C ASP A 79 -11.896 -0.850 -1.246 1.00 21.25 C ATOM 1166 O ASP A 79 -12.757 -1.719 -1.129 1.00 5.21 O ATOM 1167 CB ASP A 79 -13.078 0.839 0.186 1.00 30.32 C ATOM 1168 CG ASP A 79 -12.360 0.396 1.454 1.00 43.10 C ATOM 1169 OD1 ASP A 79 -11.302 0.975 1.778 1.00 52.23 O ATOM 1170 OD2 ASP A 79 -12.863 -0.523 2.140 1.00 61.53 O ATOM 0 H ASP A 79 -13.702 0.474 -2.589 1.00 44.04 H new ATOM 0 HA ASP A 79 -11.324 1.194 -0.982 1.00 71.33 H new ATOM 0 HB2 ASP A 79 -13.331 1.896 0.269 1.00 30.32 H new ATOM 0 HB3 ASP A 79 -14.017 0.292 0.097 1.00 30.32 H new ATOM 1175 N ALA A 80 -10.642 -1.121 -1.553 1.00 23.23 N ATOM 1176 CA ALA A 80 -10.206 -2.479 -1.820 1.00 62.42 C ATOM 1177 C ALA A 80 -9.454 -3.060 -0.634 1.00 62.32 C ATOM 1178 O ALA A 80 -8.474 -2.483 -0.161 1.00 3.13 O ATOM 1179 CB ALA A 80 -9.338 -2.511 -3.067 1.00 32.42 C ATOM 0 H ALA A 80 -9.906 -0.418 -1.624 1.00 23.23 H new ATOM 0 HA ALA A 80 -11.090 -3.094 -1.986 1.00 62.42 H new ATOM 0 HB1 ALA A 80 -9.015 -3.534 -3.260 1.00 32.42 H new ATOM 0 HB2 ALA A 80 -9.911 -2.145 -3.919 1.00 32.42 H new ATOM 0 HB3 ALA A 80 -8.464 -1.877 -2.918 1.00 32.42 H new ATOM 1185 N ALA A 81 -9.925 -4.201 -0.156 1.00 14.34 N ATOM 1186 CA ALA A 81 -9.272 -4.897 0.935 1.00 74.43 C ATOM 1187 C ALA A 81 -8.351 -5.982 0.396 1.00 62.11 C ATOM 1188 O ALA A 81 -8.807 -6.953 -0.212 1.00 60.22 O ATOM 1189 CB ALA A 81 -10.306 -5.489 1.880 1.00 15.01 C ATOM 0 H ALA A 81 -10.762 -4.664 -0.510 1.00 14.34 H new ATOM 0 HA ALA A 81 -8.668 -4.182 1.493 1.00 74.43 H new ATOM 0 HB1 ALA A 81 -9.800 -6.008 2.694 1.00 15.01 H new ATOM 0 HB2 ALA A 81 -10.925 -4.690 2.289 1.00 15.01 H new ATOM 0 HB3 ALA A 81 -10.935 -6.193 1.336 1.00 15.01 H new ATOM 1195 N PHE A 82 -7.057 -5.796 0.603 1.00 44.11 N ATOM 1196 CA PHE A 82 -6.057 -6.747 0.142 1.00 65.22 C ATOM 1197 C PHE A 82 -5.550 -7.596 1.296 1.00 14.33 C ATOM 1198 O PHE A 82 -4.884 -7.094 2.201 1.00 43.53 O ATOM 1199 CB PHE A 82 -4.882 -6.015 -0.511 1.00 62.23 C ATOM 1200 CG PHE A 82 -5.197 -5.424 -1.857 1.00 12.12 C ATOM 1201 CD1 PHE A 82 -5.026 -6.170 -3.012 1.00 64.12 C ATOM 1202 CD2 PHE A 82 -5.660 -4.122 -1.965 1.00 1.25 C ATOM 1203 CE1 PHE A 82 -5.311 -5.628 -4.251 1.00 23.20 C ATOM 1204 CE2 PHE A 82 -5.946 -3.576 -3.201 1.00 1.44 C ATOM 1205 CZ PHE A 82 -5.771 -4.330 -4.345 1.00 4.21 C ATOM 0 H PHE A 82 -6.672 -4.988 1.092 1.00 44.11 H new ATOM 0 HA PHE A 82 -6.527 -7.398 -0.595 1.00 65.22 H new ATOM 0 HB2 PHE A 82 -4.549 -5.218 0.155 1.00 62.23 H new ATOM 0 HB3 PHE A 82 -4.049 -6.710 -0.617 1.00 62.23 H new ATOM 0 HD1 PHE A 82 -4.666 -7.186 -2.943 1.00 64.12 H new ATOM 0 HD2 PHE A 82 -5.799 -3.528 -1.073 1.00 1.25 H new ATOM 0 HE1 PHE A 82 -5.174 -6.219 -5.144 1.00 23.20 H new ATOM 0 HE2 PHE A 82 -6.306 -2.560 -3.273 1.00 1.44 H new ATOM 0 HZ PHE A 82 -5.994 -3.904 -5.312 1.00 4.21 H new ATOM 1215 N THR A 83 -5.864 -8.881 1.257 1.00 11.34 N ATOM 1216 CA THR A 83 -5.431 -9.800 2.291 1.00 63.13 C ATOM 1217 C THR A 83 -4.085 -10.406 1.929 1.00 62.21 C ATOM 1218 O THR A 83 -3.996 -11.274 1.055 1.00 1.30 O ATOM 1219 CB THR A 83 -6.464 -10.927 2.510 1.00 55.42 C ATOM 1220 OG1 THR A 83 -7.730 -10.360 2.875 1.00 23.22 O ATOM 1221 CG2 THR A 83 -6.002 -11.887 3.599 1.00 51.14 C ATOM 0 H THR A 83 -6.419 -9.310 0.517 1.00 11.34 H new ATOM 0 HA THR A 83 -5.337 -9.234 3.218 1.00 63.13 H new ATOM 0 HB THR A 83 -6.565 -11.484 1.579 1.00 55.42 H new ATOM 0 HG1 THR A 83 -8.383 -11.078 3.012 1.00 23.22 H new ATOM 0 HG21 THR A 83 -6.747 -12.671 3.733 1.00 51.14 H new ATOM 0 HG22 THR A 83 -5.052 -12.336 3.309 1.00 51.14 H new ATOM 0 HG23 THR A 83 -5.876 -11.342 4.535 1.00 51.14 H new ATOM 1229 N PHE A 84 -3.041 -9.929 2.585 1.00 30.33 N ATOM 1230 CA PHE A 84 -1.705 -10.441 2.361 1.00 25.52 C ATOM 1231 C PHE A 84 -1.409 -11.577 3.328 1.00 12.33 C ATOM 1232 O PHE A 84 -2.144 -11.791 4.296 1.00 63.14 O ATOM 1233 CB PHE A 84 -0.672 -9.324 2.523 1.00 61.22 C ATOM 1234 CG PHE A 84 -0.754 -8.263 1.458 1.00 34.50 C ATOM 1235 CD1 PHE A 84 -0.074 -8.414 0.261 1.00 4.42 C ATOM 1236 CD2 PHE A 84 -1.509 -7.119 1.654 1.00 5.35 C ATOM 1237 CE1 PHE A 84 -0.145 -7.445 -0.720 1.00 1.34 C ATOM 1238 CE2 PHE A 84 -1.584 -6.144 0.676 1.00 14.24 C ATOM 1239 CZ PHE A 84 -0.901 -6.309 -0.512 1.00 62.53 C ATOM 0 H PHE A 84 -3.096 -9.184 3.280 1.00 30.33 H new ATOM 0 HA PHE A 84 -1.645 -10.824 1.342 1.00 25.52 H new ATOM 0 HB2 PHE A 84 -0.805 -8.857 3.499 1.00 61.22 H new ATOM 0 HB3 PHE A 84 0.327 -9.761 2.512 1.00 61.22 H new ATOM 0 HD1 PHE A 84 0.519 -9.301 0.093 1.00 4.42 H new ATOM 0 HD2 PHE A 84 -2.046 -6.986 2.582 1.00 5.35 H new ATOM 0 HE1 PHE A 84 0.390 -7.576 -1.649 1.00 1.34 H new ATOM 0 HE2 PHE A 84 -2.176 -5.256 0.841 1.00 14.24 H new ATOM 0 HZ PHE A 84 -0.958 -5.550 -1.278 1.00 62.53 H new ATOM 1249 N SER A 85 -0.337 -12.299 3.069 1.00 75.03 N ATOM 1250 CA SER A 85 0.052 -13.409 3.916 1.00 22.32 C ATOM 1251 C SER A 85 1.024 -12.920 4.983 1.00 34.44 C ATOM 1252 O SER A 85 1.085 -13.455 6.088 1.00 72.02 O ATOM 1253 CB SER A 85 0.691 -14.510 3.071 1.00 42.15 C ATOM 1254 OG SER A 85 -0.133 -14.842 1.963 1.00 71.23 O ATOM 0 H SER A 85 0.283 -12.136 2.275 1.00 75.03 H new ATOM 0 HA SER A 85 -0.831 -13.819 4.406 1.00 22.32 H new ATOM 0 HB2 SER A 85 1.668 -14.181 2.717 1.00 42.15 H new ATOM 0 HB3 SER A 85 0.856 -15.396 3.685 1.00 42.15 H new ATOM 0 HG SER A 85 0.297 -15.547 1.436 1.00 71.23 H new ATOM 1260 N CYS A 86 1.768 -11.880 4.646 1.00 14.33 N ATOM 1261 CA CYS A 86 2.748 -11.314 5.552 1.00 3.35 C ATOM 1262 C CYS A 86 2.442 -9.840 5.777 1.00 24.12 C ATOM 1263 O CYS A 86 1.700 -9.231 5.006 1.00 12.23 O ATOM 1264 CB CYS A 86 4.150 -11.465 4.959 1.00 32.54 C ATOM 1265 SG CYS A 86 4.440 -13.051 4.143 1.00 64.32 S ATOM 0 H CYS A 86 1.709 -11.409 3.743 1.00 14.33 H new ATOM 0 HA CYS A 86 2.705 -11.842 6.505 1.00 3.35 H new ATOM 0 HB2 CYS A 86 4.317 -10.663 4.240 1.00 32.54 H new ATOM 0 HB3 CYS A 86 4.885 -11.338 5.754 1.00 32.54 H new ATOM 0 HG CYS A 86 4.256 -12.920 2.863 1.00 64.32 H new ATOM 1271 N GLN A 87 3.009 -9.260 6.820 1.00 12.02 N ATOM 1272 CA GLN A 87 2.841 -7.837 7.060 1.00 45.42 C ATOM 1273 C GLN A 87 3.818 -7.049 6.206 1.00 45.23 C ATOM 1274 O GLN A 87 3.514 -5.945 5.759 1.00 72.34 O ATOM 1275 CB GLN A 87 3.032 -7.499 8.537 1.00 24.10 C ATOM 1276 CG GLN A 87 2.939 -6.011 8.832 1.00 4.41 C ATOM 1277 CD GLN A 87 2.667 -5.733 10.293 1.00 20.40 C ATOM 1278 OE1 GLN A 87 3.589 -5.561 11.091 1.00 4.15 O ATOM 1279 NE2 GLN A 87 1.395 -5.704 10.653 1.00 4.11 N ATOM 0 H GLN A 87 3.584 -9.746 7.508 1.00 12.02 H new ATOM 0 HA GLN A 87 1.823 -7.562 6.784 1.00 45.42 H new ATOM 0 HB2 GLN A 87 2.279 -8.026 9.123 1.00 24.10 H new ATOM 0 HB3 GLN A 87 4.005 -7.867 8.863 1.00 24.10 H new ATOM 0 HG2 GLN A 87 3.870 -5.526 8.539 1.00 4.41 H new ATOM 0 HG3 GLN A 87 2.146 -5.571 8.227 1.00 4.41 H new ATOM 0 HE21 GLN A 87 0.664 -5.852 9.957 1.00 4.11 H new ATOM 0 HE22 GLN A 87 1.144 -5.534 11.627 1.00 4.11 H new ATOM 1288 N ALA A 88 4.986 -7.639 5.971 1.00 43.40 N ATOM 1289 CA ALA A 88 6.013 -7.022 5.140 1.00 1.11 C ATOM 1290 C ALA A 88 5.460 -6.660 3.767 1.00 11.02 C ATOM 1291 O ALA A 88 5.602 -5.530 3.312 1.00 13.21 O ATOM 1292 CB ALA A 88 7.207 -7.954 5.003 1.00 60.14 C ATOM 0 H ALA A 88 5.245 -8.551 6.348 1.00 43.40 H new ATOM 0 HA ALA A 88 6.338 -6.102 5.625 1.00 1.11 H new ATOM 0 HB1 ALA A 88 7.967 -7.482 4.380 1.00 60.14 H new ATOM 0 HB2 ALA A 88 7.623 -8.160 5.989 1.00 60.14 H new ATOM 0 HB3 ALA A 88 6.888 -8.888 4.541 1.00 60.14 H new ATOM 1298 N GLU A 89 4.804 -7.620 3.128 1.00 34.24 N ATOM 1299 CA GLU A 89 4.230 -7.407 1.802 1.00 53.14 C ATOM 1300 C GLU A 89 3.065 -6.412 1.851 1.00 2.12 C ATOM 1301 O GLU A 89 2.774 -5.740 0.863 1.00 2.04 O ATOM 1302 CB GLU A 89 3.792 -8.742 1.188 1.00 73.41 C ATOM 1303 CG GLU A 89 3.017 -9.630 2.144 1.00 12.24 C ATOM 1304 CD GLU A 89 2.751 -11.017 1.585 1.00 31.21 C ATOM 1305 OE1 GLU A 89 3.725 -11.734 1.274 1.00 33.21 O ATOM 1306 OE2 GLU A 89 1.570 -11.395 1.471 1.00 44.22 O ATOM 0 H GLU A 89 4.655 -8.556 3.506 1.00 34.24 H new ATOM 0 HA GLU A 89 5.001 -6.973 1.165 1.00 53.14 H new ATOM 0 HB2 GLU A 89 3.176 -8.543 0.311 1.00 73.41 H new ATOM 0 HB3 GLU A 89 4.675 -9.280 0.842 1.00 73.41 H new ATOM 0 HG2 GLU A 89 3.573 -9.721 3.077 1.00 12.24 H new ATOM 0 HG3 GLU A 89 2.067 -9.153 2.384 1.00 12.24 H new ATOM 1313 N MET A 90 2.413 -6.310 3.006 1.00 52.33 N ATOM 1314 CA MET A 90 1.300 -5.382 3.176 1.00 24.23 C ATOM 1315 C MET A 90 1.807 -3.942 3.255 1.00 14.41 C ATOM 1316 O MET A 90 1.372 -3.077 2.493 1.00 0.21 O ATOM 1317 CB MET A 90 0.490 -5.743 4.433 1.00 34.40 C ATOM 1318 CG MET A 90 -0.783 -4.924 4.616 1.00 60.15 C ATOM 1319 SD MET A 90 -0.493 -3.301 5.350 1.00 0.12 S ATOM 1320 CE MET A 90 0.031 -3.759 7.002 1.00 21.04 C ATOM 0 H MET A 90 2.636 -6.858 3.837 1.00 52.33 H new ATOM 0 HA MET A 90 0.645 -5.464 2.309 1.00 24.23 H new ATOM 0 HB2 MET A 90 0.225 -6.799 4.389 1.00 34.40 H new ATOM 0 HB3 MET A 90 1.123 -5.609 5.310 1.00 34.40 H new ATOM 0 HG2 MET A 90 -1.266 -4.795 3.647 1.00 60.15 H new ATOM 0 HG3 MET A 90 -1.477 -5.481 5.246 1.00 60.15 H new ATOM 0 HE1 MET A 90 0.264 -2.860 7.572 1.00 21.04 H new ATOM 0 HE2 MET A 90 -0.770 -4.307 7.499 1.00 21.04 H new ATOM 0 HE3 MET A 90 0.918 -4.390 6.941 1.00 21.04 H new ATOM 1330 N ILE A 91 2.745 -3.695 4.163 1.00 35.42 N ATOM 1331 CA ILE A 91 3.269 -2.353 4.375 1.00 43.20 C ATOM 1332 C ILE A 91 3.995 -1.816 3.142 1.00 61.45 C ATOM 1333 O ILE A 91 3.833 -0.649 2.794 1.00 55.34 O ATOM 1334 CB ILE A 91 4.210 -2.290 5.596 1.00 34.31 C ATOM 1335 CG1 ILE A 91 5.259 -3.401 5.532 1.00 51.41 C ATOM 1336 CG2 ILE A 91 3.407 -2.386 6.884 1.00 41.33 C ATOM 1337 CD1 ILE A 91 6.361 -3.268 6.558 1.00 5.14 C ATOM 0 H ILE A 91 3.158 -4.408 4.764 1.00 35.42 H new ATOM 0 HA ILE A 91 2.402 -1.720 4.567 1.00 43.20 H new ATOM 0 HB ILE A 91 4.731 -1.333 5.580 1.00 34.31 H new ATOM 0 HG12 ILE A 91 4.764 -4.362 5.669 1.00 51.41 H new ATOM 0 HG13 ILE A 91 5.703 -3.410 4.537 1.00 51.41 H new ATOM 0 HG21 ILE A 91 4.083 -2.340 7.738 1.00 41.33 H new ATOM 0 HG22 ILE A 91 2.701 -1.557 6.935 1.00 41.33 H new ATOM 0 HG23 ILE A 91 2.861 -3.329 6.903 1.00 41.33 H new ATOM 0 HD11 ILE A 91 7.064 -4.094 6.446 1.00 5.14 H new ATOM 0 HD12 ILE A 91 6.885 -2.324 6.409 1.00 5.14 H new ATOM 0 HD13 ILE A 91 5.931 -3.291 7.559 1.00 5.14 H new ATOM 1349 N ILE A 92 4.778 -2.659 2.470 1.00 32.24 N ATOM 1350 CA ILE A 92 5.503 -2.224 1.282 1.00 31.31 C ATOM 1351 C ILE A 92 4.533 -1.885 0.152 1.00 73.11 C ATOM 1352 O ILE A 92 4.821 -1.042 -0.700 1.00 4.12 O ATOM 1353 CB ILE A 92 6.558 -3.259 0.815 1.00 23.53 C ATOM 1354 CG1 ILE A 92 5.924 -4.601 0.429 1.00 33.53 C ATOM 1355 CG2 ILE A 92 7.607 -3.464 1.899 1.00 34.14 C ATOM 1356 CD1 ILE A 92 5.578 -4.718 -1.040 1.00 53.43 C ATOM 0 H ILE A 92 4.924 -3.636 2.726 1.00 32.24 H new ATOM 0 HA ILE A 92 6.050 -1.322 1.556 1.00 31.31 H new ATOM 0 HB ILE A 92 7.034 -2.857 -0.080 1.00 23.53 H new ATOM 0 HG12 ILE A 92 6.610 -5.405 0.695 1.00 33.53 H new ATOM 0 HG13 ILE A 92 5.018 -4.746 1.018 1.00 33.53 H new ATOM 0 HG21 ILE A 92 8.343 -4.193 1.560 1.00 34.14 H new ATOM 0 HG22 ILE A 92 8.104 -2.517 2.108 1.00 34.14 H new ATOM 0 HG23 ILE A 92 7.126 -3.829 2.806 1.00 34.14 H new ATOM 0 HD11 ILE A 92 5.134 -5.695 -1.233 1.00 53.43 H new ATOM 0 HD12 ILE A 92 4.867 -3.937 -1.310 1.00 53.43 H new ATOM 0 HD13 ILE A 92 6.483 -4.606 -1.637 1.00 53.43 H new ATOM 1368 N PHE A 93 3.384 -2.548 0.152 1.00 12.44 N ATOM 1369 CA PHE A 93 2.319 -2.246 -0.793 1.00 4.12 C ATOM 1370 C PHE A 93 1.830 -0.816 -0.570 1.00 34.42 C ATOM 1371 O PHE A 93 1.723 -0.035 -1.515 1.00 51.31 O ATOM 1372 CB PHE A 93 1.172 -3.249 -0.628 1.00 3.51 C ATOM 1373 CG PHE A 93 0.042 -3.069 -1.600 1.00 12.43 C ATOM 1374 CD1 PHE A 93 0.213 -3.358 -2.942 1.00 64.41 C ATOM 1375 CD2 PHE A 93 -1.193 -2.620 -1.168 1.00 2.12 C ATOM 1376 CE1 PHE A 93 -0.827 -3.202 -3.837 1.00 1.12 C ATOM 1377 CE2 PHE A 93 -2.238 -2.463 -2.057 1.00 51.23 C ATOM 1378 CZ PHE A 93 -2.054 -2.754 -3.393 1.00 33.21 C ATOM 0 H PHE A 93 3.166 -3.304 0.801 1.00 12.44 H new ATOM 0 HA PHE A 93 2.699 -2.330 -1.811 1.00 4.12 H new ATOM 0 HB2 PHE A 93 1.570 -4.258 -0.736 1.00 3.51 H new ATOM 0 HB3 PHE A 93 0.779 -3.168 0.385 1.00 3.51 H new ATOM 0 HD1 PHE A 93 1.171 -3.710 -3.294 1.00 64.41 H new ATOM 0 HD2 PHE A 93 -1.342 -2.390 -0.123 1.00 2.12 H new ATOM 0 HE1 PHE A 93 -0.680 -3.430 -4.882 1.00 1.12 H new ATOM 0 HE2 PHE A 93 -3.198 -2.113 -1.707 1.00 51.23 H new ATOM 0 HZ PHE A 93 -2.869 -2.631 -4.090 1.00 33.21 H new ATOM 1388 N GLU A 94 1.566 -0.479 0.693 1.00 60.31 N ATOM 1389 CA GLU A 94 1.198 0.884 1.079 1.00 10.41 C ATOM 1390 C GLU A 94 2.265 1.883 0.648 1.00 35.53 C ATOM 1391 O GLU A 94 1.952 2.971 0.162 1.00 73.23 O ATOM 1392 CB GLU A 94 0.999 0.976 2.593 1.00 11.32 C ATOM 1393 CG GLU A 94 -0.192 0.187 3.105 1.00 64.52 C ATOM 1394 CD GLU A 94 -1.510 0.842 2.735 1.00 54.45 C ATOM 1395 OE1 GLU A 94 -1.816 1.931 3.280 1.00 62.31 O ATOM 1396 OE2 GLU A 94 -2.236 0.284 1.889 1.00 51.03 O ATOM 0 H GLU A 94 1.601 -1.137 1.472 1.00 60.31 H new ATOM 0 HA GLU A 94 0.263 1.129 0.575 1.00 10.41 H new ATOM 0 HB2 GLU A 94 1.900 0.618 3.091 1.00 11.32 H new ATOM 0 HB3 GLU A 94 0.876 2.023 2.871 1.00 11.32 H new ATOM 0 HG2 GLU A 94 -0.161 -0.823 2.695 1.00 64.52 H new ATOM 0 HG3 GLU A 94 -0.126 0.093 4.189 1.00 64.52 H new ATOM 1403 N LEU A 95 3.524 1.505 0.827 1.00 14.44 N ATOM 1404 CA LEU A 95 4.640 2.349 0.424 1.00 24.34 C ATOM 1405 C LEU A 95 4.606 2.583 -1.085 1.00 52.55 C ATOM 1406 O LEU A 95 4.647 3.724 -1.550 1.00 74.11 O ATOM 1407 CB LEU A 95 5.964 1.700 0.832 1.00 3.13 C ATOM 1408 CG LEU A 95 6.067 1.306 2.306 1.00 35.43 C ATOM 1409 CD1 LEU A 95 7.460 0.789 2.622 1.00 62.01 C ATOM 1410 CD2 LEU A 95 5.712 2.481 3.203 1.00 24.35 C ATOM 0 H LEU A 95 3.798 0.618 1.249 1.00 14.44 H new ATOM 0 HA LEU A 95 4.553 3.312 0.927 1.00 24.34 H new ATOM 0 HB2 LEU A 95 6.117 0.809 0.222 1.00 3.13 H new ATOM 0 HB3 LEU A 95 6.776 2.389 0.599 1.00 3.13 H new ATOM 0 HG LEU A 95 5.352 0.506 2.498 1.00 35.43 H new ATOM 0 HD11 LEU A 95 7.516 0.513 3.675 1.00 62.01 H new ATOM 0 HD12 LEU A 95 7.672 -0.085 2.006 1.00 62.01 H new ATOM 0 HD13 LEU A 95 8.193 1.567 2.412 1.00 62.01 H new ATOM 0 HD21 LEU A 95 5.792 2.179 4.247 1.00 24.35 H new ATOM 0 HD22 LEU A 95 6.398 3.306 3.011 1.00 24.35 H new ATOM 0 HD23 LEU A 95 4.691 2.802 2.995 1.00 24.35 H new ATOM 1422 N SER A 96 4.526 1.491 -1.834 1.00 0.42 N ATOM 1423 CA SER A 96 4.378 1.541 -3.285 1.00 43.13 C ATOM 1424 C SER A 96 3.182 2.409 -3.695 1.00 14.02 C ATOM 1425 O SER A 96 3.272 3.188 -4.643 1.00 4.35 O ATOM 1426 CB SER A 96 4.212 0.120 -3.833 1.00 2.31 C ATOM 1427 OG SER A 96 5.285 -0.711 -3.419 1.00 23.35 O ATOM 0 H SER A 96 4.562 0.545 -1.454 1.00 0.42 H new ATOM 0 HA SER A 96 5.276 1.993 -3.706 1.00 43.13 H new ATOM 0 HB2 SER A 96 3.267 -0.300 -3.487 1.00 2.31 H new ATOM 0 HB3 SER A 96 4.168 0.149 -4.922 1.00 2.31 H new ATOM 0 HG SER A 96 5.159 -0.965 -2.481 1.00 23.35 H new ATOM 1433 N LEU A 97 2.070 2.281 -2.972 1.00 65.10 N ATOM 1434 CA LEU A 97 0.882 3.091 -3.234 1.00 21.12 C ATOM 1435 C LEU A 97 1.207 4.574 -3.106 1.00 64.05 C ATOM 1436 O LEU A 97 0.848 5.375 -3.964 1.00 4.22 O ATOM 1437 CB LEU A 97 -0.252 2.736 -2.267 1.00 12.15 C ATOM 1438 CG LEU A 97 -0.826 1.327 -2.408 1.00 65.30 C ATOM 1439 CD1 LEU A 97 -1.894 1.083 -1.355 1.00 40.24 C ATOM 1440 CD2 LEU A 97 -1.397 1.125 -3.799 1.00 22.31 C ATOM 0 H LEU A 97 1.968 1.623 -2.199 1.00 65.10 H new ATOM 0 HA LEU A 97 0.557 2.878 -4.252 1.00 21.12 H new ATOM 0 HB2 LEU A 97 0.113 2.860 -1.247 1.00 12.15 H new ATOM 0 HB3 LEU A 97 -1.061 3.454 -2.405 1.00 12.15 H new ATOM 0 HG LEU A 97 -0.021 0.608 -2.257 1.00 65.30 H new ATOM 0 HD11 LEU A 97 -2.293 0.075 -1.468 1.00 40.24 H new ATOM 0 HD12 LEU A 97 -1.457 1.191 -0.362 1.00 40.24 H new ATOM 0 HD13 LEU A 97 -2.699 1.808 -1.478 1.00 40.24 H new ATOM 0 HD21 LEU A 97 -1.802 0.116 -3.883 1.00 22.31 H new ATOM 0 HD22 LEU A 97 -2.191 1.851 -3.975 1.00 22.31 H new ATOM 0 HD23 LEU A 97 -0.609 1.263 -4.539 1.00 22.31 H new ATOM 1452 N ARG A 98 1.900 4.920 -2.030 1.00 52.23 N ATOM 1453 CA ARG A 98 2.298 6.299 -1.768 1.00 74.33 C ATOM 1454 C ARG A 98 3.264 6.810 -2.829 1.00 44.22 C ATOM 1455 O ARG A 98 3.304 8.001 -3.123 1.00 53.24 O ATOM 1456 CB ARG A 98 2.932 6.407 -0.385 1.00 63.10 C ATOM 1457 CG ARG A 98 1.926 6.265 0.735 1.00 54.05 C ATOM 1458 CD ARG A 98 2.605 6.167 2.084 1.00 63.12 C ATOM 1459 NE ARG A 98 3.512 7.289 2.341 1.00 62.44 N ATOM 1460 CZ ARG A 98 4.058 7.550 3.530 1.00 22.01 C ATOM 1461 NH1 ARG A 98 3.766 6.797 4.586 1.00 1.44 N ATOM 1462 NH2 ARG A 98 4.889 8.573 3.660 1.00 42.11 N ATOM 0 H ARG A 98 2.202 4.257 -1.316 1.00 52.23 H new ATOM 0 HA ARG A 98 1.403 6.920 -1.803 1.00 74.33 H new ATOM 0 HB2 ARG A 98 3.696 5.637 -0.280 1.00 63.10 H new ATOM 0 HB3 ARG A 98 3.435 7.370 -0.295 1.00 63.10 H new ATOM 0 HG2 ARG A 98 1.250 7.120 0.728 1.00 54.05 H new ATOM 0 HG3 ARG A 98 1.317 5.376 0.568 1.00 54.05 H new ATOM 0 HD2 ARG A 98 1.847 6.131 2.866 1.00 63.12 H new ATOM 0 HD3 ARG A 98 3.164 5.233 2.138 1.00 63.12 H new ATOM 0 HE ARG A 98 3.740 7.908 1.563 1.00 62.44 H new ATOM 0 HH11 ARG A 98 3.120 6.013 4.491 1.00 1.44 H new ATOM 0 HH12 ARG A 98 4.188 7.003 5.492 1.00 1.44 H new ATOM 0 HH21 ARG A 98 5.109 9.157 2.853 1.00 42.11 H new ATOM 0 HH22 ARG A 98 5.309 8.777 4.567 1.00 42.11 H new ATOM 1476 N SER A 99 4.043 5.903 -3.390 1.00 72.43 N ATOM 1477 CA SER A 99 5.027 6.261 -4.398 1.00 45.52 C ATOM 1478 C SER A 99 4.378 6.420 -5.779 1.00 73.23 C ATOM 1479 O SER A 99 4.681 7.365 -6.510 1.00 53.10 O ATOM 1480 CB SER A 99 6.126 5.194 -4.444 1.00 74.24 C ATOM 1481 OG SER A 99 7.168 5.554 -5.335 1.00 11.23 O ATOM 0 H SER A 99 4.014 4.909 -3.164 1.00 72.43 H new ATOM 0 HA SER A 99 5.465 7.221 -4.127 1.00 45.52 H new ATOM 0 HB2 SER A 99 6.535 5.050 -3.444 1.00 74.24 H new ATOM 0 HB3 SER A 99 5.696 4.241 -4.753 1.00 74.24 H new ATOM 0 HG SER A 99 7.852 4.852 -5.339 1.00 11.23 H new ATOM 1487 N LEU A 100 3.481 5.505 -6.130 1.00 34.54 N ATOM 1488 CA LEU A 100 2.902 5.485 -7.469 1.00 34.41 C ATOM 1489 C LEU A 100 1.629 6.318 -7.543 1.00 1.11 C ATOM 1490 O LEU A 100 1.524 7.239 -8.354 1.00 72.25 O ATOM 1491 CB LEU A 100 2.597 4.050 -7.893 1.00 12.30 C ATOM 1492 CG LEU A 100 2.422 3.854 -9.401 1.00 10.13 C ATOM 1493 CD1 LEU A 100 3.708 4.199 -10.134 1.00 33.50 C ATOM 1494 CD2 LEU A 100 1.994 2.431 -9.713 1.00 62.21 C ATOM 0 H LEU A 100 3.140 4.771 -5.510 1.00 34.54 H new ATOM 0 HA LEU A 100 3.635 5.920 -8.148 1.00 34.41 H new ATOM 0 HB2 LEU A 100 3.404 3.404 -7.547 1.00 12.30 H new ATOM 0 HB3 LEU A 100 1.688 3.722 -7.389 1.00 12.30 H new ATOM 0 HG LEU A 100 1.637 4.527 -9.745 1.00 10.13 H new ATOM 0 HD11 LEU A 100 3.566 4.054 -11.205 1.00 33.50 H new ATOM 0 HD12 LEU A 100 3.970 5.239 -9.940 1.00 33.50 H new ATOM 0 HD13 LEU A 100 4.512 3.551 -9.783 1.00 33.50 H new ATOM 0 HD21 LEU A 100 1.876 2.315 -10.790 1.00 62.21 H new ATOM 0 HD22 LEU A 100 2.753 1.736 -9.354 1.00 62.21 H new ATOM 0 HD23 LEU A 100 1.046 2.220 -9.219 1.00 62.21 H new