USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=19 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 27 ASN : amide:sc= 1.05 K(o=4.6,f=0.062!) USER MOD Set 1.2: A 29 THR OG1 : rot 89:sc= 2.29 USER MOD Set 1.3: A 83 THR OG1 : rot -56:sc= 1.28 USER MOD Single : A 28 CYS SG : rot 124:sc= 0.129 USER MOD Single : A 30 SER OG : rot 96:sc= 1.21 USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -1.84! (180deg=-2.5!) USER MOD Single : A 33 SER OG : rot -91:sc= 1.33 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 78:sc= 0.801 USER MOD Single : A 46 MET CE :methyl -145:sc= -2.09! (180deg=-4.72!) USER MOD Single : A 47 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -130:sc= -0.21 USER MOD Single : A 58 SER OG : rot -19:sc= 1.26 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 K(o=0,f=-0.52) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= -0.0475 USER MOD Single : A 87 GLN : amide:sc= 0.007 X(o=0.007,f=0) USER MOD Single : A 90 MET CE :methyl -108:sc= 0 (180deg=-0.624) USER MOD Single : A 96 SER OG : rot 78:sc= 0.0986 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -3.865 -6.096 11.006 1.00 43.42 N ATOM 378 CA ASN A 27 -3.935 -7.395 10.360 1.00 63.05 C ATOM 379 C ASN A 27 -3.272 -7.270 8.995 1.00 54.33 C ATOM 380 O ASN A 27 -3.028 -6.156 8.530 1.00 51.20 O ATOM 381 CB ASN A 27 -5.387 -7.887 10.237 1.00 15.52 C ATOM 382 CG ASN A 27 -6.083 -7.415 8.980 1.00 61.15 C ATOM 383 OD1 ASN A 27 -6.098 -8.116 7.970 1.00 2.45 O ATOM 384 ND2 ASN A 27 -6.652 -6.224 9.024 1.00 51.43 N ATOM 0 HA ASN A 27 -3.413 -8.139 10.962 1.00 63.05 H new ATOM 0 HB2 ASN A 27 -5.395 -8.977 10.259 1.00 15.52 H new ATOM 0 HB3 ASN A 27 -5.952 -7.546 11.105 1.00 15.52 H new ATOM 0 HD21 ASN A 27 -7.126 -5.855 8.200 1.00 51.43 H new ATOM 0 HD22 ASN A 27 -6.617 -5.674 9.882 1.00 51.43 H new ATOM 391 N CYS A 28 -2.974 -8.394 8.364 1.00 12.34 N ATOM 392 CA CYS A 28 -2.218 -8.401 7.115 1.00 3.12 C ATOM 393 C CYS A 28 -3.083 -8.026 5.906 1.00 23.04 C ATOM 394 O CYS A 28 -3.006 -8.660 4.851 1.00 11.10 O ATOM 395 CB CYS A 28 -1.593 -9.778 6.906 1.00 42.54 C ATOM 396 SG CYS A 28 -2.759 -11.153 7.052 1.00 70.22 S ATOM 0 H CYS A 28 -3.244 -9.320 8.696 1.00 12.34 H new ATOM 0 HA CYS A 28 -1.438 -7.644 7.196 1.00 3.12 H new ATOM 0 HB2 CYS A 28 -1.134 -9.810 5.918 1.00 42.54 H new ATOM 0 HB3 CYS A 28 -0.793 -9.916 7.634 1.00 42.54 H new ATOM 0 HG CYS A 28 -2.729 -11.865 5.965 1.00 70.22 H new ATOM 402 N THR A 29 -3.880 -6.982 6.056 1.00 61.53 N ATOM 403 CA THR A 29 -4.719 -6.493 4.978 1.00 42.21 C ATOM 404 C THR A 29 -4.587 -4.981 4.860 1.00 12.45 C ATOM 405 O THR A 29 -4.821 -4.254 5.827 1.00 13.31 O ATOM 406 CB THR A 29 -6.202 -6.863 5.204 1.00 31.13 C ATOM 407 OG1 THR A 29 -6.341 -8.285 5.325 1.00 21.23 O ATOM 408 CG2 THR A 29 -7.078 -6.360 4.066 1.00 35.34 C ATOM 0 H THR A 29 -3.963 -6.453 6.924 1.00 61.53 H new ATOM 0 HA THR A 29 -4.384 -6.967 4.055 1.00 42.21 H new ATOM 0 HB THR A 29 -6.529 -6.383 6.126 1.00 31.13 H new ATOM 0 HG1 THR A 29 -6.238 -8.545 6.264 1.00 21.23 H new ATOM 0 HG21 THR A 29 -8.115 -6.637 4.256 1.00 35.34 H new ATOM 0 HG22 THR A 29 -6.998 -5.275 3.998 1.00 35.34 H new ATOM 0 HG23 THR A 29 -6.749 -6.808 3.128 1.00 35.34 H new ATOM 416 N SER A 30 -4.218 -4.512 3.678 1.00 32.33 N ATOM 417 CA SER A 30 -4.060 -3.086 3.448 1.00 11.05 C ATOM 418 C SER A 30 -5.326 -2.533 2.802 1.00 51.12 C ATOM 419 O SER A 30 -5.890 -3.146 1.888 1.00 45.14 O ATOM 420 CB SER A 30 -2.835 -2.819 2.567 1.00 12.04 C ATOM 421 OG SER A 30 -2.508 -1.440 2.540 1.00 73.30 O ATOM 0 H SER A 30 -4.023 -5.097 2.866 1.00 32.33 H new ATOM 0 HA SER A 30 -3.902 -2.582 4.401 1.00 11.05 H new ATOM 0 HB2 SER A 30 -1.985 -3.389 2.941 1.00 12.04 H new ATOM 0 HB3 SER A 30 -3.031 -3.168 1.553 1.00 12.04 H new ATOM 0 HG SER A 30 -1.811 -1.256 3.204 1.00 73.30 H new ATOM 427 N LYS A 31 -5.780 -1.390 3.294 1.00 45.44 N ATOM 428 CA LYS A 31 -7.048 -0.818 2.865 1.00 1.43 C ATOM 429 C LYS A 31 -6.839 0.470 2.089 1.00 54.40 C ATOM 430 O LYS A 31 -5.947 1.262 2.398 1.00 45.42 O ATOM 431 CB LYS A 31 -7.932 -0.518 4.080 1.00 63.42 C ATOM 432 CG LYS A 31 -8.459 -1.749 4.794 1.00 11.23 C ATOM 433 CD LYS A 31 -9.469 -2.502 3.943 1.00 32.41 C ATOM 434 CE LYS A 31 -10.680 -1.639 3.595 1.00 50.34 C ATOM 435 NZ LYS A 31 -11.693 -2.394 2.808 1.00 0.45 N ATOM 0 H LYS A 31 -5.286 -0.837 3.995 1.00 45.44 H new ATOM 0 HA LYS A 31 -7.533 -1.549 2.218 1.00 1.43 H new ATOM 0 HB2 LYS A 31 -7.362 0.082 4.789 1.00 63.42 H new ATOM 0 HB3 LYS A 31 -8.778 0.089 3.757 1.00 63.42 H new ATOM 0 HG2 LYS A 31 -7.628 -2.409 5.043 1.00 11.23 H new ATOM 0 HG3 LYS A 31 -8.924 -1.453 5.735 1.00 11.23 H new ATOM 0 HD2 LYS A 31 -8.989 -2.840 3.025 1.00 32.41 H new ATOM 0 HD3 LYS A 31 -9.800 -3.393 4.476 1.00 32.41 H new ATOM 0 HE2 LYS A 31 -11.136 -1.267 4.512 1.00 50.34 H new ATOM 0 HE3 LYS A 31 -10.354 -0.768 3.026 1.00 50.34 H new ATOM 0 HZ1 LYS A 31 -12.577 -1.848 2.766 1.00 0.45 H new ATOM 0 HZ2 LYS A 31 -11.337 -2.551 1.844 1.00 0.45 H new ATOM 0 HZ3 LYS A 31 -11.874 -3.311 3.264 1.00 0.45 H new ATOM 449 N PHE A 32 -7.670 0.671 1.086 1.00 3.33 N ATOM 450 CA PHE A 32 -7.749 1.943 0.401 1.00 4.21 C ATOM 451 C PHE A 32 -9.207 2.295 0.184 1.00 72.35 C ATOM 452 O PHE A 32 -9.935 1.558 -0.477 1.00 73.22 O ATOM 453 CB PHE A 32 -7.010 1.914 -0.942 1.00 34.42 C ATOM 454 CG PHE A 32 -7.062 3.235 -1.659 1.00 41.34 C ATOM 455 CD1 PHE A 32 -6.162 4.242 -1.348 1.00 73.45 C ATOM 456 CD2 PHE A 32 -8.020 3.476 -2.632 1.00 71.14 C ATOM 457 CE1 PHE A 32 -6.218 5.463 -1.991 1.00 32.43 C ATOM 458 CE2 PHE A 32 -8.079 4.695 -3.280 1.00 44.23 C ATOM 459 CZ PHE A 32 -7.177 5.689 -2.958 1.00 51.15 C ATOM 0 H PHE A 32 -8.306 -0.040 0.725 1.00 3.33 H new ATOM 0 HA PHE A 32 -7.266 2.699 1.020 1.00 4.21 H new ATOM 0 HB2 PHE A 32 -5.969 1.637 -0.774 1.00 34.42 H new ATOM 0 HB3 PHE A 32 -7.447 1.143 -1.576 1.00 34.42 H new ATOM 0 HD1 PHE A 32 -5.408 4.070 -0.594 1.00 73.45 H new ATOM 0 HD2 PHE A 32 -8.729 2.702 -2.886 1.00 71.14 H new ATOM 0 HE1 PHE A 32 -5.512 6.240 -1.738 1.00 32.43 H new ATOM 0 HE2 PHE A 32 -8.829 4.870 -4.037 1.00 44.23 H new ATOM 0 HZ PHE A 32 -7.221 6.643 -3.462 1.00 51.15 H new ATOM 469 N SER A 33 -9.632 3.403 0.754 1.00 51.03 N ATOM 470 CA SER A 33 -11.006 3.846 0.620 1.00 34.04 C ATOM 471 C SER A 33 -11.040 5.330 0.276 1.00 13.31 C ATOM 472 O SER A 33 -10.548 6.164 1.038 1.00 51.11 O ATOM 473 CB SER A 33 -11.767 3.576 1.920 1.00 43.41 C ATOM 474 OG SER A 33 -11.552 2.245 2.375 1.00 64.22 O ATOM 0 H SER A 33 -9.043 4.017 1.317 1.00 51.03 H new ATOM 0 HA SER A 33 -11.488 3.292 -0.186 1.00 34.04 H new ATOM 0 HB2 SER A 33 -11.445 4.281 2.686 1.00 43.41 H new ATOM 0 HB3 SER A 33 -12.833 3.741 1.762 1.00 43.41 H new ATOM 0 HG SER A 33 -12.245 1.658 2.008 1.00 64.22 H new ATOM 480 N ARG A 34 -11.589 5.658 -0.884 1.00 43.35 N ATOM 481 CA ARG A 34 -11.668 7.046 -1.314 1.00 23.45 C ATOM 482 C ARG A 34 -12.900 7.288 -2.178 1.00 14.41 C ATOM 483 O ARG A 34 -13.366 6.392 -2.883 1.00 23.03 O ATOM 484 CB ARG A 34 -10.408 7.438 -2.096 1.00 71.10 C ATOM 485 CG ARG A 34 -10.411 8.888 -2.551 1.00 1.14 C ATOM 486 CD ARG A 34 -9.262 9.192 -3.492 1.00 53.34 C ATOM 487 NE ARG A 34 -9.380 10.527 -4.072 1.00 70.34 N ATOM 488 CZ ARG A 34 -8.605 10.986 -5.050 1.00 25.40 C ATOM 489 NH1 ARG A 34 -7.652 10.216 -5.558 1.00 20.03 N ATOM 490 NH2 ARG A 34 -8.788 12.213 -5.527 1.00 70.31 N ATOM 0 H ARG A 34 -11.985 4.986 -1.541 1.00 43.35 H new ATOM 0 HA ARG A 34 -11.745 7.664 -0.419 1.00 23.45 H new ATOM 0 HB2 ARG A 34 -9.532 7.262 -1.472 1.00 71.10 H new ATOM 0 HB3 ARG A 34 -10.314 6.791 -2.968 1.00 71.10 H new ATOM 0 HG2 ARG A 34 -11.355 9.109 -3.049 1.00 1.14 H new ATOM 0 HG3 ARG A 34 -10.349 9.541 -1.680 1.00 1.14 H new ATOM 0 HD2 ARG A 34 -8.318 9.111 -2.953 1.00 53.34 H new ATOM 0 HD3 ARG A 34 -9.238 8.449 -4.289 1.00 53.34 H new ATOM 0 HE ARG A 34 -10.102 11.146 -3.704 1.00 70.34 H new ATOM 0 HH11 ARG A 34 -7.514 9.272 -5.198 1.00 20.03 H new ATOM 0 HH12 ARG A 34 -7.058 10.568 -6.308 1.00 20.03 H new ATOM 0 HH21 ARG A 34 -9.524 12.805 -5.143 1.00 70.31 H new ATOM 0 HH22 ARG A 34 -8.192 12.563 -6.277 1.00 70.31 H new ATOM 504 N PHE A 35 -13.417 8.505 -2.114 1.00 51.44 N ATOM 505 CA PHE A 35 -14.528 8.912 -2.952 1.00 5.03 C ATOM 506 C PHE A 35 -13.993 9.405 -4.288 1.00 52.42 C ATOM 507 O PHE A 35 -13.217 10.360 -4.336 1.00 42.13 O ATOM 508 CB PHE A 35 -15.321 10.029 -2.273 1.00 71.12 C ATOM 509 CG PHE A 35 -15.444 9.862 -0.786 1.00 52.22 C ATOM 510 CD1 PHE A 35 -16.358 8.974 -0.248 1.00 4.52 C ATOM 511 CD2 PHE A 35 -14.636 10.591 0.071 1.00 31.33 C ATOM 512 CE1 PHE A 35 -16.466 8.817 1.119 1.00 45.41 C ATOM 513 CE2 PHE A 35 -14.738 10.437 1.440 1.00 65.43 C ATOM 514 CZ PHE A 35 -15.654 9.549 1.964 1.00 34.41 C ATOM 0 H PHE A 35 -13.079 9.232 -1.483 1.00 51.44 H new ATOM 0 HA PHE A 35 -15.188 8.059 -3.110 1.00 5.03 H new ATOM 0 HB2 PHE A 35 -14.840 10.984 -2.484 1.00 71.12 H new ATOM 0 HB3 PHE A 35 -16.319 10.071 -2.709 1.00 71.12 H new ATOM 0 HD1 PHE A 35 -16.993 8.398 -0.904 1.00 4.52 H new ATOM 0 HD2 PHE A 35 -13.918 11.288 -0.336 1.00 31.33 H new ATOM 0 HE1 PHE A 35 -17.185 8.122 1.528 1.00 45.41 H new ATOM 0 HE2 PHE A 35 -14.102 11.010 2.098 1.00 65.43 H new ATOM 0 HZ PHE A 35 -15.737 9.426 3.034 1.00 34.41 H new ATOM 524 N PHE A 36 -14.378 8.742 -5.360 1.00 2.20 N ATOM 525 CA PHE A 36 -13.948 9.138 -6.692 1.00 51.14 C ATOM 526 C PHE A 36 -15.085 9.828 -7.427 1.00 11.42 C ATOM 527 O PHE A 36 -16.251 9.613 -7.110 1.00 73.12 O ATOM 528 CB PHE A 36 -13.453 7.927 -7.487 1.00 4.41 C ATOM 529 CG PHE A 36 -12.095 7.443 -7.063 1.00 64.44 C ATOM 530 CD1 PHE A 36 -11.958 6.532 -6.029 1.00 2.10 C ATOM 531 CD2 PHE A 36 -10.955 7.901 -7.704 1.00 4.21 C ATOM 532 CE1 PHE A 36 -10.708 6.087 -5.641 1.00 63.53 C ATOM 533 CE2 PHE A 36 -9.703 7.460 -7.321 1.00 52.33 C ATOM 534 CZ PHE A 36 -9.579 6.551 -6.287 1.00 34.15 C ATOM 0 H PHE A 36 -14.989 7.925 -5.338 1.00 2.20 H new ATOM 0 HA PHE A 36 -13.119 9.839 -6.592 1.00 51.14 H new ATOM 0 HB2 PHE A 36 -14.170 7.113 -7.377 1.00 4.41 H new ATOM 0 HB3 PHE A 36 -13.423 8.185 -8.546 1.00 4.41 H new ATOM 0 HD1 PHE A 36 -12.837 6.165 -5.520 1.00 2.10 H new ATOM 0 HD2 PHE A 36 -11.046 8.611 -8.513 1.00 4.21 H new ATOM 0 HE1 PHE A 36 -10.614 5.377 -4.833 1.00 63.53 H new ATOM 0 HE2 PHE A 36 -8.822 7.825 -7.829 1.00 52.33 H new ATOM 0 HZ PHE A 36 -8.602 6.205 -5.985 1.00 34.15 H new ATOM 544 N ALA A 37 -14.738 10.658 -8.403 1.00 74.13 N ATOM 545 CA ALA A 37 -15.728 11.409 -9.166 1.00 15.21 C ATOM 546 C ALA A 37 -16.716 10.482 -9.865 1.00 72.44 C ATOM 547 O ALA A 37 -17.929 10.689 -9.808 1.00 10.42 O ATOM 548 CB ALA A 37 -15.041 12.307 -10.183 1.00 1.21 C ATOM 0 H ALA A 37 -13.773 10.829 -8.686 1.00 74.13 H new ATOM 0 HA ALA A 37 -16.288 12.027 -8.465 1.00 15.21 H new ATOM 0 HB1 ALA A 37 -15.792 12.861 -10.745 1.00 1.21 H new ATOM 0 HB2 ALA A 37 -14.385 13.007 -9.666 1.00 1.21 H new ATOM 0 HB3 ALA A 37 -14.452 11.697 -10.868 1.00 1.21 H new ATOM 554 N THR A 38 -16.193 9.457 -10.522 1.00 23.11 N ATOM 555 CA THR A 38 -17.033 8.508 -11.234 1.00 44.11 C ATOM 556 C THR A 38 -16.584 7.084 -10.941 1.00 44.05 C ATOM 557 O THR A 38 -15.460 6.864 -10.486 1.00 31.41 O ATOM 558 CB THR A 38 -16.981 8.745 -12.755 1.00 24.04 C ATOM 559 OG1 THR A 38 -16.738 10.133 -13.028 1.00 34.05 O ATOM 560 CG2 THR A 38 -18.284 8.322 -13.419 1.00 42.32 C ATOM 0 H THR A 38 -15.193 9.262 -10.576 1.00 23.11 H new ATOM 0 HA THR A 38 -18.057 8.654 -10.889 1.00 44.11 H new ATOM 0 HB THR A 38 -16.169 8.142 -13.162 1.00 24.04 H new ATOM 0 HG1 THR A 38 -16.705 10.275 -13.997 1.00 34.05 H new ATOM 0 HG21 THR A 38 -18.220 8.500 -14.492 1.00 42.32 H new ATOM 0 HG22 THR A 38 -18.458 7.261 -13.237 1.00 42.32 H new ATOM 0 HG23 THR A 38 -19.109 8.901 -13.004 1.00 42.32 H new ATOM 568 N ARG A 39 -17.463 6.122 -11.204 1.00 53.01 N ATOM 569 CA ARG A 39 -17.144 4.715 -11.013 1.00 40.05 C ATOM 570 C ARG A 39 -15.930 4.314 -11.845 1.00 65.50 C ATOM 571 O ARG A 39 -15.135 3.471 -11.434 1.00 35.50 O ATOM 572 CB ARG A 39 -18.351 3.856 -11.382 1.00 31.51 C ATOM 573 CG ARG A 39 -18.083 2.365 -11.297 1.00 32.35 C ATOM 574 CD ARG A 39 -19.327 1.556 -11.598 1.00 61.33 C ATOM 575 NE ARG A 39 -19.022 0.138 -11.755 1.00 32.35 N ATOM 576 CZ ARG A 39 -19.728 -0.842 -11.199 1.00 31.11 C ATOM 577 NH1 ARG A 39 -20.727 -0.566 -10.367 1.00 35.14 N ATOM 578 NH2 ARG A 39 -19.428 -2.107 -11.467 1.00 41.03 N ATOM 0 H ARG A 39 -18.406 6.295 -11.552 1.00 53.01 H new ATOM 0 HA ARG A 39 -16.899 4.553 -9.963 1.00 40.05 H new ATOM 0 HB2 ARG A 39 -19.180 4.106 -10.720 1.00 31.51 H new ATOM 0 HB3 ARG A 39 -18.666 4.103 -12.396 1.00 31.51 H new ATOM 0 HG2 ARG A 39 -17.295 2.096 -12.000 1.00 32.35 H new ATOM 0 HG3 ARG A 39 -17.719 2.117 -10.300 1.00 32.35 H new ATOM 0 HD2 ARG A 39 -20.050 1.686 -10.792 1.00 61.33 H new ATOM 0 HD3 ARG A 39 -19.794 1.931 -12.509 1.00 61.33 H new ATOM 0 HE ARG A 39 -18.217 -0.118 -12.327 1.00 32.35 H new ATOM 0 HH11 ARG A 39 -20.957 0.404 -10.151 1.00 35.14 H new ATOM 0 HH12 ARG A 39 -21.263 -1.324 -9.945 1.00 35.14 H new ATOM 0 HH21 ARG A 39 -18.657 -2.326 -12.098 1.00 41.03 H new ATOM 0 HH22 ARG A 39 -19.968 -2.860 -11.042 1.00 41.03 H new ATOM 592 N GLU A 40 -15.789 4.938 -13.005 1.00 51.32 N ATOM 593 CA GLU A 40 -14.644 4.700 -13.870 1.00 75.15 C ATOM 594 C GLU A 40 -13.348 5.035 -13.153 1.00 14.53 C ATOM 595 O GLU A 40 -12.413 4.240 -13.144 1.00 54.14 O ATOM 596 CB GLU A 40 -14.762 5.538 -15.130 1.00 51.23 C ATOM 597 CG GLU A 40 -15.983 5.200 -15.956 1.00 74.42 C ATOM 598 CD GLU A 40 -16.054 5.989 -17.244 1.00 1.31 C ATOM 599 OE1 GLU A 40 -15.248 5.710 -18.155 1.00 14.52 O ATOM 600 OE2 GLU A 40 -16.926 6.873 -17.361 1.00 23.43 O ATOM 0 H GLU A 40 -16.457 5.616 -13.370 1.00 51.32 H new ATOM 0 HA GLU A 40 -14.631 3.643 -14.137 1.00 75.15 H new ATOM 0 HB2 GLU A 40 -14.797 6.592 -14.856 1.00 51.23 H new ATOM 0 HB3 GLU A 40 -13.869 5.396 -15.738 1.00 51.23 H new ATOM 0 HG2 GLU A 40 -15.976 4.135 -16.187 1.00 74.42 H new ATOM 0 HG3 GLU A 40 -16.880 5.393 -15.367 1.00 74.42 H new ATOM 607 N GLU A 41 -13.320 6.213 -12.540 1.00 24.53 N ATOM 608 CA GLU A 41 -12.175 6.661 -11.751 1.00 61.45 C ATOM 609 C GLU A 41 -11.802 5.611 -10.706 1.00 15.41 C ATOM 610 O GLU A 41 -10.630 5.419 -10.378 1.00 3.42 O ATOM 611 CB GLU A 41 -12.506 7.979 -11.045 1.00 14.42 C ATOM 612 CG GLU A 41 -12.920 9.103 -11.978 1.00 60.41 C ATOM 613 CD GLU A 41 -11.801 9.544 -12.894 1.00 72.23 C ATOM 614 OE1 GLU A 41 -10.830 10.149 -12.399 1.00 25.22 O ATOM 615 OE2 GLU A 41 -11.900 9.310 -14.115 1.00 45.43 O ATOM 0 H GLU A 41 -14.088 6.884 -12.575 1.00 24.53 H new ATOM 0 HA GLU A 41 -11.332 6.810 -12.426 1.00 61.45 H new ATOM 0 HB2 GLU A 41 -13.309 7.802 -10.330 1.00 14.42 H new ATOM 0 HB3 GLU A 41 -11.635 8.300 -10.473 1.00 14.42 H new ATOM 0 HG2 GLU A 41 -13.769 8.776 -12.579 1.00 60.41 H new ATOM 0 HG3 GLU A 41 -13.257 9.955 -11.387 1.00 60.41 H new ATOM 622 N ALA A 42 -12.821 4.933 -10.199 1.00 41.31 N ATOM 623 CA ALA A 42 -12.639 3.919 -9.175 1.00 10.25 C ATOM 624 C ALA A 42 -12.081 2.629 -9.767 1.00 65.34 C ATOM 625 O ALA A 42 -11.061 2.113 -9.308 1.00 22.24 O ATOM 626 CB ALA A 42 -13.957 3.655 -8.463 1.00 11.05 C ATOM 0 H ALA A 42 -13.791 5.070 -10.484 1.00 41.31 H new ATOM 0 HA ALA A 42 -11.914 4.291 -8.451 1.00 10.25 H new ATOM 0 HB1 ALA A 42 -13.811 2.893 -7.697 1.00 11.05 H new ATOM 0 HB2 ALA A 42 -14.310 4.575 -7.997 1.00 11.05 H new ATOM 0 HB3 ALA A 42 -14.697 3.307 -9.184 1.00 11.05 H new ATOM 632 N GLU A 43 -12.744 2.118 -10.801 1.00 51.42 N ATOM 633 CA GLU A 43 -12.357 0.850 -11.411 1.00 35.11 C ATOM 634 C GLU A 43 -10.997 0.946 -12.093 1.00 13.31 C ATOM 635 O GLU A 43 -10.246 -0.030 -12.131 1.00 13.41 O ATOM 636 CB GLU A 43 -13.419 0.374 -12.406 1.00 13.04 C ATOM 637 CG GLU A 43 -14.759 0.075 -11.756 1.00 64.33 C ATOM 638 CD GLU A 43 -15.640 -0.808 -12.611 1.00 62.42 C ATOM 639 OE1 GLU A 43 -15.296 -1.993 -12.794 1.00 51.12 O ATOM 640 OE2 GLU A 43 -16.681 -0.326 -13.102 1.00 31.32 O ATOM 0 H GLU A 43 -13.553 2.564 -11.234 1.00 51.42 H new ATOM 0 HA GLU A 43 -12.278 0.116 -10.609 1.00 35.11 H new ATOM 0 HB2 GLU A 43 -13.557 1.137 -13.173 1.00 13.04 H new ATOM 0 HB3 GLU A 43 -13.059 -0.523 -12.910 1.00 13.04 H new ATOM 0 HG2 GLU A 43 -14.591 -0.409 -10.794 1.00 64.33 H new ATOM 0 HG3 GLU A 43 -15.278 1.012 -11.555 1.00 64.33 H new ATOM 647 N SER A 44 -10.670 2.117 -12.622 1.00 61.40 N ATOM 648 CA SER A 44 -9.361 2.329 -13.224 1.00 71.14 C ATOM 649 C SER A 44 -8.264 2.196 -12.170 1.00 50.41 C ATOM 650 O SER A 44 -7.185 1.668 -12.447 1.00 52.14 O ATOM 651 CB SER A 44 -9.295 3.699 -13.897 1.00 15.40 C ATOM 652 OG SER A 44 -10.263 3.805 -14.930 1.00 73.53 O ATOM 0 H SER A 44 -11.287 2.929 -12.647 1.00 61.40 H new ATOM 0 HA SER A 44 -9.203 1.566 -13.986 1.00 71.14 H new ATOM 0 HB2 SER A 44 -9.462 4.481 -13.156 1.00 15.40 H new ATOM 0 HB3 SER A 44 -8.299 3.858 -14.310 1.00 15.40 H new ATOM 0 HG SER A 44 -11.146 3.965 -14.536 1.00 73.53 H new ATOM 658 N PHE A 45 -8.561 2.634 -10.950 1.00 74.13 N ATOM 659 CA PHE A 45 -7.602 2.550 -9.865 1.00 62.00 C ATOM 660 C PHE A 45 -7.534 1.115 -9.358 1.00 13.40 C ATOM 661 O PHE A 45 -6.466 0.608 -9.020 1.00 61.30 O ATOM 662 CB PHE A 45 -7.996 3.509 -8.737 1.00 52.24 C ATOM 663 CG PHE A 45 -6.892 3.782 -7.757 1.00 34.22 C ATOM 664 CD1 PHE A 45 -5.853 4.637 -8.091 1.00 32.31 C ATOM 665 CD2 PHE A 45 -6.887 3.185 -6.507 1.00 11.24 C ATOM 666 CE1 PHE A 45 -4.835 4.895 -7.195 1.00 62.43 C ATOM 667 CE2 PHE A 45 -5.870 3.439 -5.607 1.00 54.24 C ATOM 668 CZ PHE A 45 -4.841 4.292 -5.952 1.00 45.41 C ATOM 0 H PHE A 45 -9.457 3.049 -10.693 1.00 74.13 H new ATOM 0 HA PHE A 45 -6.616 2.841 -10.227 1.00 62.00 H new ATOM 0 HB2 PHE A 45 -8.323 4.453 -9.173 1.00 52.24 H new ATOM 0 HB3 PHE A 45 -8.849 3.093 -8.201 1.00 52.24 H new ATOM 0 HD1 PHE A 45 -5.840 5.107 -9.063 1.00 32.31 H new ATOM 0 HD2 PHE A 45 -7.687 2.513 -6.233 1.00 11.24 H new ATOM 0 HE1 PHE A 45 -4.035 5.568 -7.465 1.00 62.43 H new ATOM 0 HE2 PHE A 45 -5.880 2.970 -4.634 1.00 54.24 H new ATOM 0 HZ PHE A 45 -4.042 4.488 -5.252 1.00 45.41 H new ATOM 678 N MET A 46 -8.685 0.457 -9.337 1.00 34.33 N ATOM 679 CA MET A 46 -8.768 -0.939 -8.927 1.00 2.31 C ATOM 680 C MET A 46 -7.948 -1.830 -9.860 1.00 51.40 C ATOM 681 O MET A 46 -7.309 -2.783 -9.420 1.00 43.31 O ATOM 682 CB MET A 46 -10.231 -1.400 -8.921 1.00 32.21 C ATOM 683 CG MET A 46 -10.449 -2.834 -8.450 1.00 3.14 C ATOM 684 SD MET A 46 -10.416 -3.016 -6.651 1.00 33.24 S ATOM 685 CE MET A 46 -8.678 -2.803 -6.280 1.00 34.52 C ATOM 0 H MET A 46 -9.579 0.870 -9.601 1.00 34.33 H new ATOM 0 HA MET A 46 -8.359 -1.024 -7.920 1.00 2.31 H new ATOM 0 HB2 MET A 46 -10.805 -0.731 -8.280 1.00 32.21 H new ATOM 0 HB3 MET A 46 -10.633 -1.299 -9.929 1.00 32.21 H new ATOM 0 HG2 MET A 46 -11.409 -3.189 -8.826 1.00 3.14 H new ATOM 0 HG3 MET A 46 -9.680 -3.472 -8.886 1.00 3.14 H new ATOM 0 HE1 MET A 46 -8.402 -3.448 -5.446 1.00 34.52 H new ATOM 0 HE2 MET A 46 -8.084 -3.067 -7.155 1.00 34.52 H new ATOM 0 HE3 MET A 46 -8.488 -1.764 -6.013 1.00 34.52 H new ATOM 695 N THR A 47 -7.964 -1.501 -11.148 1.00 11.12 N ATOM 696 CA THR A 47 -7.272 -2.294 -12.156 1.00 11.01 C ATOM 697 C THR A 47 -5.761 -2.305 -11.923 1.00 52.13 C ATOM 698 O THR A 47 -5.147 -3.370 -11.864 1.00 14.21 O ATOM 699 CB THR A 47 -7.576 -1.774 -13.575 1.00 0.24 C ATOM 700 OG1 THR A 47 -8.997 -1.725 -13.777 1.00 61.53 O ATOM 701 CG2 THR A 47 -6.945 -2.668 -14.635 1.00 74.04 C ATOM 0 H THR A 47 -8.452 -0.686 -11.519 1.00 11.12 H new ATOM 0 HA THR A 47 -7.642 -3.316 -12.067 1.00 11.01 H new ATOM 0 HB THR A 47 -7.151 -0.775 -13.669 1.00 0.24 H new ATOM 0 HG1 THR A 47 -9.392 -1.067 -13.167 1.00 61.53 H new ATOM 0 HG21 THR A 47 -7.176 -2.277 -15.626 1.00 74.04 H new ATOM 0 HG22 THR A 47 -5.864 -2.689 -14.496 1.00 74.04 H new ATOM 0 HG23 THR A 47 -7.343 -3.679 -14.542 1.00 74.04 H new ATOM 709 N LYS A 48 -5.169 -1.125 -11.769 1.00 73.23 N ATOM 710 CA LYS A 48 -3.728 -1.025 -11.563 1.00 73.24 C ATOM 711 C LYS A 48 -3.325 -1.618 -10.215 1.00 4.34 C ATOM 712 O LYS A 48 -2.214 -2.118 -10.055 1.00 13.30 O ATOM 713 CB LYS A 48 -3.258 0.422 -11.673 1.00 13.24 C ATOM 714 CG LYS A 48 -4.021 1.381 -10.785 1.00 60.41 C ATOM 715 CD LYS A 48 -3.407 2.762 -10.818 1.00 51.32 C ATOM 716 CE LYS A 48 -2.029 2.775 -10.173 1.00 73.41 C ATOM 717 NZ LYS A 48 -1.373 4.105 -10.279 1.00 24.10 N ATOM 0 H LYS A 48 -5.660 -0.231 -11.783 1.00 73.23 H new ATOM 0 HA LYS A 48 -3.240 -1.602 -12.349 1.00 73.24 H new ATOM 0 HB2 LYS A 48 -2.199 0.471 -11.419 1.00 13.24 H new ATOM 0 HB3 LYS A 48 -3.353 0.747 -12.709 1.00 13.24 H new ATOM 0 HG2 LYS A 48 -5.060 1.434 -11.111 1.00 60.41 H new ATOM 0 HG3 LYS A 48 -4.027 1.007 -9.761 1.00 60.41 H new ATOM 0 HD2 LYS A 48 -3.330 3.102 -11.851 1.00 51.32 H new ATOM 0 HD3 LYS A 48 -4.060 3.464 -10.299 1.00 51.32 H new ATOM 0 HE2 LYS A 48 -2.119 2.498 -9.122 1.00 73.41 H new ATOM 0 HE3 LYS A 48 -1.400 2.022 -10.648 1.00 73.41 H new ATOM 0 HZ1 LYS A 48 -0.437 4.068 -9.827 1.00 24.10 H new ATOM 0 HZ2 LYS A 48 -1.263 4.359 -11.282 1.00 24.10 H new ATOM 0 HZ3 LYS A 48 -1.959 4.820 -9.803 1.00 24.10 H new ATOM 731 N LEU A 49 -4.237 -1.566 -9.250 1.00 53.15 N ATOM 732 CA LEU A 49 -3.999 -2.154 -7.935 1.00 54.23 C ATOM 733 C LEU A 49 -3.834 -3.668 -8.038 1.00 0.34 C ATOM 734 O LEU A 49 -3.050 -4.265 -7.299 1.00 23.32 O ATOM 735 CB LEU A 49 -5.147 -1.805 -6.985 1.00 61.33 C ATOM 736 CG LEU A 49 -4.901 -0.603 -6.061 1.00 22.35 C ATOM 737 CD1 LEU A 49 -3.993 -0.997 -4.910 1.00 74.20 C ATOM 738 CD2 LEU A 49 -4.288 0.559 -6.827 1.00 12.35 C ATOM 0 H LEU A 49 -5.150 -1.122 -9.353 1.00 53.15 H new ATOM 0 HA LEU A 49 -3.074 -1.739 -7.536 1.00 54.23 H new ATOM 0 HB2 LEU A 49 -6.039 -1.607 -7.579 1.00 61.33 H new ATOM 0 HB3 LEU A 49 -5.362 -2.677 -6.368 1.00 61.33 H new ATOM 0 HG LEU A 49 -5.865 -0.284 -5.663 1.00 22.35 H new ATOM 0 HD11 LEU A 49 -3.828 -0.134 -4.265 1.00 74.20 H new ATOM 0 HD12 LEU A 49 -4.460 -1.796 -4.335 1.00 74.20 H new ATOM 0 HD13 LEU A 49 -3.037 -1.344 -5.303 1.00 74.20 H new ATOM 0 HD21 LEU A 49 -4.125 1.396 -6.148 1.00 12.35 H new ATOM 0 HD22 LEU A 49 -3.336 0.249 -7.257 1.00 12.35 H new ATOM 0 HD23 LEU A 49 -4.964 0.866 -7.625 1.00 12.35 H new ATOM 750 N LYS A 50 -4.568 -4.280 -8.963 1.00 15.14 N ATOM 751 CA LYS A 50 -4.450 -5.704 -9.219 1.00 45.14 C ATOM 752 C LYS A 50 -3.035 -6.049 -9.673 1.00 3.14 C ATOM 753 O LYS A 50 -2.434 -7.015 -9.201 1.00 60.14 O ATOM 754 CB LYS A 50 -5.453 -6.105 -10.293 1.00 41.52 C ATOM 755 CG LYS A 50 -6.905 -5.948 -9.872 1.00 71.22 C ATOM 756 CD LYS A 50 -7.790 -5.772 -11.089 1.00 65.02 C ATOM 757 CE LYS A 50 -9.172 -6.381 -10.891 1.00 24.30 C ATOM 758 NZ LYS A 50 -9.996 -6.302 -12.127 1.00 1.12 N ATOM 0 H LYS A 50 -5.254 -3.804 -9.549 1.00 15.14 H new ATOM 0 HA LYS A 50 -4.659 -6.251 -8.300 1.00 45.14 H new ATOM 0 HB2 LYS A 50 -5.276 -5.502 -11.184 1.00 41.52 H new ATOM 0 HB3 LYS A 50 -5.276 -7.144 -10.571 1.00 41.52 H new ATOM 0 HG2 LYS A 50 -7.223 -6.824 -9.306 1.00 71.22 H new ATOM 0 HG3 LYS A 50 -7.008 -5.087 -9.212 1.00 71.22 H new ATOM 0 HD2 LYS A 50 -7.892 -4.710 -11.311 1.00 65.02 H new ATOM 0 HD3 LYS A 50 -7.312 -6.234 -11.953 1.00 65.02 H new ATOM 0 HE2 LYS A 50 -9.069 -7.423 -10.589 1.00 24.30 H new ATOM 0 HE3 LYS A 50 -9.684 -5.863 -10.080 1.00 24.30 H new ATOM 0 HZ1 LYS A 50 -10.929 -6.727 -11.950 1.00 1.12 H new ATOM 0 HZ2 LYS A 50 -10.116 -5.306 -12.401 1.00 1.12 H new ATOM 0 HZ3 LYS A 50 -9.520 -6.818 -12.895 1.00 1.12 H new ATOM 772 N GLU A 51 -2.509 -5.234 -10.578 1.00 24.34 N ATOM 773 CA GLU A 51 -1.169 -5.438 -11.115 1.00 63.13 C ATOM 774 C GLU A 51 -0.120 -5.247 -10.026 1.00 41.44 C ATOM 775 O GLU A 51 0.826 -6.027 -9.912 1.00 71.34 O ATOM 776 CB GLU A 51 -0.904 -4.459 -12.258 1.00 1.05 C ATOM 777 CG GLU A 51 -1.973 -4.468 -13.334 1.00 62.43 C ATOM 778 CD GLU A 51 -1.645 -3.525 -14.470 1.00 63.32 C ATOM 779 OE1 GLU A 51 -1.817 -2.302 -14.302 1.00 70.32 O ATOM 780 OE2 GLU A 51 -1.198 -4.002 -15.533 1.00 30.02 O ATOM 0 H GLU A 51 -2.993 -4.420 -10.958 1.00 24.34 H new ATOM 0 HA GLU A 51 -1.104 -6.459 -11.492 1.00 63.13 H new ATOM 0 HB2 GLU A 51 -0.822 -3.452 -11.849 1.00 1.05 H new ATOM 0 HB3 GLU A 51 0.057 -4.698 -12.713 1.00 1.05 H new ATOM 0 HG2 GLU A 51 -2.085 -5.480 -13.724 1.00 62.43 H new ATOM 0 HG3 GLU A 51 -2.931 -4.187 -12.895 1.00 62.43 H new ATOM 787 N LEU A 52 -0.309 -4.214 -9.217 1.00 51.12 N ATOM 788 CA LEU A 52 0.627 -3.893 -8.148 1.00 75.34 C ATOM 789 C LEU A 52 0.648 -4.986 -7.080 1.00 30.32 C ATOM 790 O LEU A 52 1.685 -5.244 -6.468 1.00 31.31 O ATOM 791 CB LEU A 52 0.265 -2.540 -7.536 1.00 51.42 C ATOM 792 CG LEU A 52 0.400 -1.354 -8.498 1.00 33.23 C ATOM 793 CD1 LEU A 52 -0.103 -0.073 -7.855 1.00 53.23 C ATOM 794 CD2 LEU A 52 1.846 -1.188 -8.940 1.00 51.25 C ATOM 0 H LEU A 52 -1.106 -3.581 -9.281 1.00 51.12 H new ATOM 0 HA LEU A 52 1.630 -3.835 -8.571 1.00 75.34 H new ATOM 0 HB2 LEU A 52 -0.762 -2.582 -7.172 1.00 51.42 H new ATOM 0 HB3 LEU A 52 0.903 -2.364 -6.670 1.00 51.42 H new ATOM 0 HG LEU A 52 -0.213 -1.560 -9.375 1.00 33.23 H new ATOM 0 HD11 LEU A 52 0.004 0.753 -8.558 1.00 53.23 H new ATOM 0 HD12 LEU A 52 -1.153 -0.188 -7.587 1.00 53.23 H new ATOM 0 HD13 LEU A 52 0.479 0.137 -6.958 1.00 53.23 H new ATOM 0 HD21 LEU A 52 1.923 -0.342 -9.622 1.00 51.25 H new ATOM 0 HD22 LEU A 52 2.475 -1.009 -8.068 1.00 51.25 H new ATOM 0 HD23 LEU A 52 2.178 -2.094 -9.447 1.00 51.25 H new ATOM 806 N ALA A 53 -0.491 -5.639 -6.874 1.00 75.24 N ATOM 807 CA ALA A 53 -0.577 -6.747 -5.931 1.00 52.40 C ATOM 808 C ALA A 53 0.302 -7.909 -6.388 1.00 33.33 C ATOM 809 O ALA A 53 0.908 -8.613 -5.574 1.00 12.00 O ATOM 810 CB ALA A 53 -2.020 -7.197 -5.766 1.00 44.21 C ATOM 0 H ALA A 53 -1.367 -5.420 -7.348 1.00 75.24 H new ATOM 0 HA ALA A 53 -0.214 -6.404 -4.962 1.00 52.40 H new ATOM 0 HB1 ALA A 53 -2.064 -8.025 -5.058 1.00 44.21 H new ATOM 0 HB2 ALA A 53 -2.619 -6.367 -5.392 1.00 44.21 H new ATOM 0 HB3 ALA A 53 -2.412 -7.522 -6.730 1.00 44.21 H new ATOM 816 N ALA A 54 0.385 -8.088 -7.699 1.00 32.52 N ATOM 817 CA ALA A 54 1.215 -9.131 -8.280 1.00 20.13 C ATOM 818 C ALA A 54 2.693 -8.795 -8.117 1.00 1.11 C ATOM 819 O ALA A 54 3.530 -9.681 -7.985 1.00 4.10 O ATOM 820 CB ALA A 54 0.870 -9.330 -9.748 1.00 12.43 C ATOM 0 H ALA A 54 -0.116 -7.520 -8.383 1.00 32.52 H new ATOM 0 HA ALA A 54 1.016 -10.063 -7.750 1.00 20.13 H new ATOM 0 HB1 ALA A 54 1.501 -10.114 -10.167 1.00 12.43 H new ATOM 0 HB2 ALA A 54 -0.177 -9.619 -9.840 1.00 12.43 H new ATOM 0 HB3 ALA A 54 1.039 -8.400 -10.291 1.00 12.43 H new ATOM 826 N ALA A 55 3.008 -7.509 -8.105 1.00 33.23 N ATOM 827 CA ALA A 55 4.384 -7.067 -7.929 1.00 33.31 C ATOM 828 C ALA A 55 4.802 -7.152 -6.463 1.00 32.13 C ATOM 829 O ALA A 55 5.971 -7.394 -6.153 1.00 43.11 O ATOM 830 CB ALA A 55 4.555 -5.648 -8.452 1.00 10.22 C ATOM 0 H ALA A 55 2.331 -6.754 -8.215 1.00 33.23 H new ATOM 0 HA ALA A 55 5.031 -7.730 -8.503 1.00 33.31 H new ATOM 0 HB1 ALA A 55 5.589 -5.331 -8.314 1.00 10.22 H new ATOM 0 HB2 ALA A 55 4.305 -5.619 -9.513 1.00 10.22 H new ATOM 0 HB3 ALA A 55 3.893 -4.976 -7.905 1.00 10.22 H new ATOM 836 N ALA A 56 3.845 -6.959 -5.565 1.00 12.44 N ATOM 837 CA ALA A 56 4.125 -6.972 -4.138 1.00 40.12 C ATOM 838 C ALA A 56 4.237 -8.393 -3.594 1.00 0.33 C ATOM 839 O ALA A 56 5.226 -8.742 -2.949 1.00 0.32 O ATOM 840 CB ALA A 56 3.051 -6.206 -3.388 1.00 63.03 C ATOM 0 H ALA A 56 2.867 -6.791 -5.801 1.00 12.44 H new ATOM 0 HA ALA A 56 5.088 -6.485 -3.986 1.00 40.12 H new ATOM 0 HB1 ALA A 56 3.271 -6.222 -2.321 1.00 63.03 H new ATOM 0 HB2 ALA A 56 3.028 -5.174 -3.738 1.00 63.03 H new ATOM 0 HB3 ALA A 56 2.081 -6.671 -3.566 1.00 63.03 H new ATOM 846 N SER A 57 3.222 -9.208 -3.846 1.00 33.10 N ATOM 847 CA SER A 57 3.188 -10.559 -3.299 1.00 54.34 C ATOM 848 C SER A 57 3.262 -11.619 -4.392 1.00 45.03 C ATOM 849 O SER A 57 3.794 -12.707 -4.174 1.00 54.55 O ATOM 850 CB SER A 57 1.916 -10.747 -2.476 1.00 34.32 C ATOM 851 OG SER A 57 1.865 -9.812 -1.414 1.00 53.01 O ATOM 0 H SER A 57 2.417 -8.961 -4.421 1.00 33.10 H new ATOM 0 HA SER A 57 4.064 -10.683 -2.663 1.00 54.34 H new ATOM 0 HB2 SER A 57 1.042 -10.626 -3.116 1.00 34.32 H new ATOM 0 HB3 SER A 57 1.882 -11.761 -2.077 1.00 34.32 H new ATOM 0 HG SER A 57 1.670 -10.280 -0.575 1.00 53.01 H new ATOM 857 N SER A 58 2.718 -11.281 -5.555 1.00 61.22 N ATOM 858 CA SER A 58 2.616 -12.192 -6.693 1.00 62.34 C ATOM 859 C SER A 58 1.594 -13.279 -6.393 1.00 10.43 C ATOM 860 O SER A 58 0.487 -13.267 -6.926 1.00 64.33 O ATOM 861 CB SER A 58 3.985 -12.803 -7.043 1.00 63.33 C ATOM 862 OG SER A 58 4.950 -11.789 -7.278 1.00 23.14 O ATOM 0 H SER A 58 2.330 -10.356 -5.738 1.00 61.22 H new ATOM 0 HA SER A 58 2.282 -11.626 -7.562 1.00 62.34 H new ATOM 0 HB2 SER A 58 4.319 -13.446 -6.229 1.00 63.33 H new ATOM 0 HB3 SER A 58 3.891 -13.432 -7.928 1.00 63.33 H new ATOM 0 HG SER A 58 4.495 -10.943 -7.472 1.00 23.14 H new ATOM 868 N ALA A 59 1.973 -14.182 -5.497 1.00 63.24 N ATOM 869 CA ALA A 59 1.135 -15.310 -5.061 1.00 11.23 C ATOM 870 C ALA A 59 0.542 -16.116 -6.224 1.00 21.14 C ATOM 871 O ALA A 59 -0.402 -16.882 -6.024 1.00 11.12 O ATOM 872 CB ALA A 59 0.023 -14.807 -4.155 1.00 50.15 C ATOM 0 H ALA A 59 2.885 -14.157 -5.041 1.00 63.24 H new ATOM 0 HA ALA A 59 1.788 -15.991 -4.515 1.00 11.23 H new ATOM 0 HB1 ALA A 59 -0.594 -15.647 -3.836 1.00 50.15 H new ATOM 0 HB2 ALA A 59 0.457 -14.322 -3.281 1.00 50.15 H new ATOM 0 HB3 ALA A 59 -0.593 -14.090 -4.698 1.00 50.15 H new ATOM 878 N ASP A 60 1.113 -15.949 -7.422 1.00 60.23 N ATOM 879 CA ASP A 60 0.624 -16.598 -8.652 1.00 33.33 C ATOM 880 C ASP A 60 -0.749 -16.073 -9.063 1.00 31.31 C ATOM 881 O ASP A 60 -0.905 -15.493 -10.137 1.00 21.12 O ATOM 882 CB ASP A 60 0.587 -18.127 -8.518 1.00 42.02 C ATOM 883 CG ASP A 60 1.965 -18.746 -8.566 1.00 70.30 C ATOM 884 OD1 ASP A 60 2.510 -18.905 -9.677 1.00 44.20 O ATOM 885 OD2 ASP A 60 2.511 -19.085 -7.495 1.00 1.34 O ATOM 0 H ASP A 60 1.931 -15.358 -7.570 1.00 60.23 H new ATOM 0 HA ASP A 60 1.336 -16.343 -9.437 1.00 33.33 H new ATOM 0 HB2 ASP A 60 0.105 -18.394 -7.578 1.00 42.02 H new ATOM 0 HB3 ASP A 60 -0.023 -18.544 -9.319 1.00 42.02 H new ATOM 890 N GLU A 61 -1.738 -16.281 -8.210 1.00 23.01 N ATOM 891 CA GLU A 61 -3.101 -15.849 -8.480 1.00 31.54 C ATOM 892 C GLU A 61 -3.297 -14.397 -8.049 1.00 64.11 C ATOM 893 O GLU A 61 -4.163 -13.690 -8.570 1.00 1.14 O ATOM 894 CB GLU A 61 -4.085 -16.761 -7.741 1.00 50.11 C ATOM 895 CG GLU A 61 -5.547 -16.466 -8.034 1.00 3.45 C ATOM 896 CD GLU A 61 -6.486 -17.415 -7.320 1.00 64.45 C ATOM 897 OE1 GLU A 61 -6.749 -18.511 -7.859 1.00 0.23 O ATOM 898 OE2 GLU A 61 -6.968 -17.074 -6.224 1.00 32.22 O ATOM 0 H GLU A 61 -1.620 -16.753 -7.313 1.00 23.01 H new ATOM 0 HA GLU A 61 -3.288 -15.915 -9.552 1.00 31.54 H new ATOM 0 HB2 GLU A 61 -3.874 -17.797 -8.008 1.00 50.11 H new ATOM 0 HB3 GLU A 61 -3.915 -16.667 -6.668 1.00 50.11 H new ATOM 0 HG2 GLU A 61 -5.774 -15.443 -7.736 1.00 3.45 H new ATOM 0 HG3 GLU A 61 -5.719 -16.530 -9.108 1.00 3.45 H new ATOM 905 N GLY A 62 -2.478 -13.960 -7.104 1.00 60.14 N ATOM 906 CA GLY A 62 -2.575 -12.604 -6.605 1.00 35.24 C ATOM 907 C GLY A 62 -2.959 -12.568 -5.142 1.00 34.40 C ATOM 908 O GLY A 62 -3.256 -13.605 -4.548 1.00 13.10 O ATOM 0 H GLY A 62 -1.745 -14.523 -6.672 1.00 60.14 H new ATOM 0 HA2 GLY A 62 -1.620 -12.097 -6.742 1.00 35.24 H new ATOM 0 HA3 GLY A 62 -3.314 -12.054 -7.188 1.00 35.24 H new ATOM 912 N ALA A 63 -2.932 -11.379 -4.557 1.00 53.42 N ATOM 913 CA ALA A 63 -3.343 -11.200 -3.172 1.00 65.34 C ATOM 914 C ALA A 63 -4.861 -11.239 -3.059 1.00 60.01 C ATOM 915 O ALA A 63 -5.570 -10.911 -4.013 1.00 62.23 O ATOM 916 CB ALA A 63 -2.802 -9.888 -2.626 1.00 35.34 C ATOM 0 H ALA A 63 -2.629 -10.523 -5.021 1.00 53.42 H new ATOM 0 HA ALA A 63 -2.932 -12.017 -2.579 1.00 65.34 H new ATOM 0 HB1 ALA A 63 -3.117 -9.768 -1.590 1.00 35.34 H new ATOM 0 HB2 ALA A 63 -1.713 -9.895 -2.676 1.00 35.34 H new ATOM 0 HB3 ALA A 63 -3.187 -9.060 -3.221 1.00 35.34 H new ATOM 922 N SER A 64 -5.352 -11.644 -1.896 1.00 31.44 N ATOM 923 CA SER A 64 -6.783 -11.729 -1.657 1.00 15.35 C ATOM 924 C SER A 64 -7.401 -10.339 -1.575 1.00 3.43 C ATOM 925 O SER A 64 -7.269 -9.645 -0.565 1.00 61.21 O ATOM 926 CB SER A 64 -7.047 -12.502 -0.371 1.00 51.32 C ATOM 927 OG SER A 64 -6.582 -13.840 -0.477 1.00 64.24 O ATOM 0 H SER A 64 -4.776 -11.920 -1.101 1.00 31.44 H new ATOM 0 HA SER A 64 -7.245 -12.256 -2.492 1.00 15.35 H new ATOM 0 HB2 SER A 64 -6.552 -12.006 0.464 1.00 51.32 H new ATOM 0 HB3 SER A 64 -8.115 -12.501 -0.154 1.00 51.32 H new ATOM 0 HG SER A 64 -6.761 -14.316 0.361 1.00 64.24 H new ATOM 933 N VAL A 65 -8.071 -9.934 -2.640 1.00 43.42 N ATOM 934 CA VAL A 65 -8.649 -8.609 -2.709 1.00 34.33 C ATOM 935 C VAL A 65 -10.144 -8.642 -2.411 1.00 21.02 C ATOM 936 O VAL A 65 -10.915 -9.340 -3.068 1.00 60.41 O ATOM 937 CB VAL A 65 -8.390 -7.948 -4.086 1.00 74.02 C ATOM 938 CG1 VAL A 65 -8.887 -8.824 -5.230 1.00 70.54 C ATOM 939 CG2 VAL A 65 -9.030 -6.567 -4.151 1.00 41.32 C ATOM 0 H VAL A 65 -8.227 -10.507 -3.469 1.00 43.42 H new ATOM 0 HA VAL A 65 -8.159 -8.005 -1.945 1.00 34.33 H new ATOM 0 HB VAL A 65 -7.312 -7.836 -4.199 1.00 74.02 H new ATOM 0 HG11 VAL A 65 -8.689 -8.328 -6.180 1.00 70.54 H new ATOM 0 HG12 VAL A 65 -8.369 -9.783 -5.206 1.00 70.54 H new ATOM 0 HG13 VAL A 65 -9.959 -8.988 -5.123 1.00 70.54 H new ATOM 0 HG21 VAL A 65 -8.836 -6.121 -5.127 1.00 41.32 H new ATOM 0 HG22 VAL A 65 -10.106 -6.657 -4.001 1.00 41.32 H new ATOM 0 HG23 VAL A 65 -8.607 -5.933 -3.372 1.00 41.32 H new ATOM 949 N ALA A 66 -10.526 -7.919 -1.376 1.00 72.01 N ATOM 950 CA ALA A 66 -11.924 -7.701 -1.049 1.00 34.53 C ATOM 951 C ALA A 66 -12.300 -6.281 -1.438 1.00 22.31 C ATOM 952 O ALA A 66 -11.984 -5.328 -0.729 1.00 64.01 O ATOM 953 CB ALA A 66 -12.171 -7.937 0.434 1.00 50.52 C ATOM 0 H ALA A 66 -9.875 -7.465 -0.736 1.00 72.01 H new ATOM 0 HA ALA A 66 -12.544 -8.407 -1.602 1.00 34.53 H new ATOM 0 HB1 ALA A 66 -13.224 -7.769 0.659 1.00 50.52 H new ATOM 0 HB2 ALA A 66 -11.905 -8.963 0.688 1.00 50.52 H new ATOM 0 HB3 ALA A 66 -11.561 -7.249 1.019 1.00 50.52 H new ATOM 959 N TYR A 67 -12.938 -6.138 -2.584 1.00 64.45 N ATOM 960 CA TYR A 67 -13.195 -4.822 -3.139 1.00 14.44 C ATOM 961 C TYR A 67 -14.678 -4.477 -3.111 1.00 61.54 C ATOM 962 O TYR A 67 -15.539 -5.362 -3.156 1.00 24.13 O ATOM 963 CB TYR A 67 -12.669 -4.739 -4.580 1.00 52.44 C ATOM 964 CG TYR A 67 -13.366 -5.671 -5.547 1.00 21.52 C ATOM 965 CD1 TYR A 67 -12.969 -6.996 -5.675 1.00 53.43 C ATOM 966 CD2 TYR A 67 -14.429 -5.225 -6.326 1.00 54.24 C ATOM 967 CE1 TYR A 67 -13.608 -7.849 -6.553 1.00 51.14 C ATOM 968 CE2 TYR A 67 -15.072 -6.073 -7.205 1.00 40.34 C ATOM 969 CZ TYR A 67 -14.661 -7.384 -7.314 1.00 60.25 C ATOM 970 OH TYR A 67 -15.304 -8.232 -8.186 1.00 61.14 O ATOM 0 H TYR A 67 -13.287 -6.913 -3.147 1.00 64.45 H new ATOM 0 HA TYR A 67 -12.669 -4.097 -2.517 1.00 14.44 H new ATOM 0 HB2 TYR A 67 -12.778 -3.715 -4.937 1.00 52.44 H new ATOM 0 HB3 TYR A 67 -11.603 -4.964 -4.580 1.00 52.44 H new ATOM 0 HD1 TYR A 67 -12.148 -7.365 -5.078 1.00 53.43 H new ATOM 0 HD2 TYR A 67 -14.756 -4.199 -6.242 1.00 54.24 H new ATOM 0 HE1 TYR A 67 -13.285 -8.876 -6.644 1.00 51.14 H new ATOM 0 HE2 TYR A 67 -15.894 -5.711 -7.805 1.00 40.34 H new ATOM 0 HH TYR A 67 -16.022 -7.747 -8.644 1.00 61.14 H new ATOM 980 N LYS A 68 -14.959 -3.191 -3.005 1.00 62.54 N ATOM 981 CA LYS A 68 -16.296 -2.669 -3.194 1.00 34.43 C ATOM 982 C LYS A 68 -16.258 -1.441 -4.073 1.00 63.44 C ATOM 983 O LYS A 68 -15.377 -0.586 -3.952 1.00 3.15 O ATOM 984 CB LYS A 68 -16.968 -2.325 -1.869 1.00 1.44 C ATOM 985 CG LYS A 68 -17.511 -3.534 -1.145 1.00 62.52 C ATOM 986 CD LYS A 68 -18.266 -3.139 0.113 1.00 65.32 C ATOM 987 CE LYS A 68 -18.866 -4.352 0.804 1.00 55.01 C ATOM 988 NZ LYS A 68 -19.702 -3.975 1.974 1.00 32.24 N ATOM 0 H LYS A 68 -14.263 -2.479 -2.785 1.00 62.54 H new ATOM 0 HA LYS A 68 -16.882 -3.451 -3.676 1.00 34.43 H new ATOM 0 HB2 LYS A 68 -16.249 -1.817 -1.226 1.00 1.44 H new ATOM 0 HB3 LYS A 68 -17.782 -1.624 -2.053 1.00 1.44 H new ATOM 0 HG2 LYS A 68 -18.174 -4.089 -1.809 1.00 62.52 H new ATOM 0 HG3 LYS A 68 -16.690 -4.201 -0.883 1.00 62.52 H new ATOM 0 HD2 LYS A 68 -17.591 -2.625 0.798 1.00 65.32 H new ATOM 0 HD3 LYS A 68 -19.058 -2.435 -0.142 1.00 65.32 H new ATOM 0 HE2 LYS A 68 -19.472 -4.911 0.091 1.00 55.01 H new ATOM 0 HE3 LYS A 68 -18.065 -5.015 1.130 1.00 55.01 H new ATOM 0 HZ1 LYS A 68 -20.091 -4.833 2.414 1.00 32.24 H new ATOM 0 HZ2 LYS A 68 -19.119 -3.464 2.667 1.00 32.24 H new ATOM 0 HZ3 LYS A 68 -20.482 -3.363 1.660 1.00 32.24 H new ATOM 1002 N ILE A 69 -17.217 -1.382 -4.962 1.00 11.42 N ATOM 1003 CA ILE A 69 -17.377 -0.260 -5.864 1.00 13.03 C ATOM 1004 C ILE A 69 -18.815 0.221 -5.778 1.00 74.13 C ATOM 1005 O ILE A 69 -19.726 -0.407 -6.317 1.00 75.35 O ATOM 1006 CB ILE A 69 -17.037 -0.647 -7.322 1.00 74.42 C ATOM 1007 CG1 ILE A 69 -15.639 -1.272 -7.399 1.00 74.20 C ATOM 1008 CG2 ILE A 69 -17.124 0.575 -8.228 1.00 33.43 C ATOM 1009 CD1 ILE A 69 -15.289 -1.822 -8.767 1.00 11.21 C ATOM 0 H ILE A 69 -17.916 -2.115 -5.084 1.00 11.42 H new ATOM 0 HA ILE A 69 -16.688 0.532 -5.569 1.00 13.03 H new ATOM 0 HB ILE A 69 -17.763 -1.385 -7.663 1.00 74.42 H new ATOM 0 HG12 ILE A 69 -14.900 -0.521 -7.120 1.00 74.20 H new ATOM 0 HG13 ILE A 69 -15.570 -2.076 -6.666 1.00 74.20 H new ATOM 0 HG21 ILE A 69 -16.882 0.287 -9.251 1.00 33.43 H new ATOM 0 HG22 ILE A 69 -18.135 0.981 -8.195 1.00 33.43 H new ATOM 0 HG23 ILE A 69 -16.417 1.332 -7.887 1.00 33.43 H new ATOM 0 HD11 ILE A 69 -14.286 -2.247 -8.742 1.00 11.21 H new ATOM 0 HD12 ILE A 69 -16.005 -2.597 -9.042 1.00 11.21 H new ATOM 0 HD13 ILE A 69 -15.324 -1.018 -9.502 1.00 11.21 H new ATOM 1021 N LYS A 70 -19.016 1.323 -5.083 1.00 43.43 N ATOM 1022 CA LYS A 70 -20.357 1.784 -4.778 1.00 35.32 C ATOM 1023 C LYS A 70 -20.684 3.059 -5.530 1.00 22.12 C ATOM 1024 O LYS A 70 -20.030 4.088 -5.356 1.00 63.45 O ATOM 1025 CB LYS A 70 -20.495 1.988 -3.272 1.00 74.15 C ATOM 1026 CG LYS A 70 -21.912 2.257 -2.799 1.00 54.54 C ATOM 1027 CD LYS A 70 -22.000 2.158 -1.285 1.00 52.12 C ATOM 1028 CE LYS A 70 -23.421 2.346 -0.786 1.00 40.13 C ATOM 1029 NZ LYS A 70 -23.528 2.099 0.674 1.00 12.50 N ATOM 0 H LYS A 70 -18.270 1.915 -4.719 1.00 43.43 H new ATOM 0 HA LYS A 70 -21.070 1.026 -5.102 1.00 35.32 H new ATOM 0 HB2 LYS A 70 -20.118 1.101 -2.762 1.00 74.15 H new ATOM 0 HB3 LYS A 70 -19.861 2.822 -2.972 1.00 74.15 H new ATOM 0 HG2 LYS A 70 -22.227 3.249 -3.123 1.00 54.54 H new ATOM 0 HG3 LYS A 70 -22.595 1.541 -3.256 1.00 54.54 H new ATOM 0 HD2 LYS A 70 -21.628 1.185 -0.963 1.00 52.12 H new ATOM 0 HD3 LYS A 70 -21.354 2.912 -0.834 1.00 52.12 H new ATOM 0 HE2 LYS A 70 -23.754 3.360 -1.009 1.00 40.13 H new ATOM 0 HE3 LYS A 70 -24.087 1.668 -1.320 1.00 40.13 H new ATOM 0 HZ1 LYS A 70 -24.513 2.237 0.978 1.00 12.50 H new ATOM 0 HZ2 LYS A 70 -23.234 1.124 0.884 1.00 12.50 H new ATOM 0 HZ3 LYS A 70 -22.912 2.763 1.185 1.00 12.50 H new ATOM 1043 N ASP A 71 -21.706 2.971 -6.358 1.00 12.03 N ATOM 1044 CA ASP A 71 -22.139 4.080 -7.187 1.00 70.22 C ATOM 1045 C ASP A 71 -23.022 5.021 -6.386 1.00 63.25 C ATOM 1046 O ASP A 71 -24.160 4.681 -6.052 1.00 4.25 O ATOM 1047 CB ASP A 71 -22.912 3.568 -8.405 1.00 24.14 C ATOM 1048 CG ASP A 71 -22.032 2.867 -9.418 1.00 72.43 C ATOM 1049 OD1 ASP A 71 -21.515 3.543 -10.331 1.00 61.15 O ATOM 1050 OD2 ASP A 71 -21.869 1.631 -9.320 1.00 32.35 O ATOM 0 H ASP A 71 -22.263 2.124 -6.476 1.00 12.03 H new ATOM 0 HA ASP A 71 -21.254 4.618 -7.527 1.00 70.22 H new ATOM 0 HB2 ASP A 71 -23.689 2.881 -8.071 1.00 24.14 H new ATOM 0 HB3 ASP A 71 -23.414 4.407 -8.888 1.00 24.14 H new ATOM 1055 N LEU A 72 -22.498 6.190 -6.066 1.00 23.31 N ATOM 1056 CA LEU A 72 -23.249 7.177 -5.308 1.00 32.34 C ATOM 1057 C LEU A 72 -23.717 8.293 -6.229 1.00 43.35 C ATOM 1058 O LEU A 72 -23.454 8.273 -7.434 1.00 22.22 O ATOM 1059 CB LEU A 72 -22.395 7.753 -4.174 1.00 20.03 C ATOM 1060 CG LEU A 72 -21.836 6.719 -3.197 1.00 61.24 C ATOM 1061 CD1 LEU A 72 -20.874 7.373 -2.219 1.00 32.24 C ATOM 1062 CD2 LEU A 72 -22.964 6.023 -2.451 1.00 35.15 C ATOM 0 H LEU A 72 -21.554 6.481 -6.319 1.00 23.31 H new ATOM 0 HA LEU A 72 -24.119 6.688 -4.869 1.00 32.34 H new ATOM 0 HB2 LEU A 72 -21.563 8.305 -4.611 1.00 20.03 H new ATOM 0 HB3 LEU A 72 -22.996 8.471 -3.616 1.00 20.03 H new ATOM 0 HG LEU A 72 -21.288 5.969 -3.768 1.00 61.24 H new ATOM 0 HD11 LEU A 72 -20.487 6.621 -1.532 1.00 32.24 H new ATOM 0 HD12 LEU A 72 -20.047 7.823 -2.768 1.00 32.24 H new ATOM 0 HD13 LEU A 72 -21.398 8.145 -1.655 1.00 32.24 H new ATOM 0 HD21 LEU A 72 -22.546 5.291 -1.760 1.00 35.15 H new ATOM 0 HD22 LEU A 72 -23.540 6.761 -1.893 1.00 35.15 H new ATOM 0 HD23 LEU A 72 -23.615 5.518 -3.165 1.00 35.15 H new ATOM 1074 N GLU A 73 -24.412 9.262 -5.665 1.00 22.15 N ATOM 1075 CA GLU A 73 -24.906 10.384 -6.447 1.00 73.32 C ATOM 1076 C GLU A 73 -23.866 11.491 -6.497 1.00 63.44 C ATOM 1077 O GLU A 73 -23.651 12.205 -5.518 1.00 41.42 O ATOM 1078 CB GLU A 73 -26.224 10.922 -5.883 1.00 71.12 C ATOM 1079 CG GLU A 73 -27.424 10.026 -6.152 1.00 20.21 C ATOM 1080 CD GLU A 73 -27.374 8.713 -5.399 1.00 30.15 C ATOM 1081 OE1 GLU A 73 -27.618 8.717 -4.175 1.00 61.02 O ATOM 1082 OE2 GLU A 73 -27.090 7.672 -6.025 1.00 64.44 O ATOM 0 H GLU A 73 -24.648 9.297 -4.673 1.00 22.15 H new ATOM 0 HA GLU A 73 -25.095 10.027 -7.459 1.00 73.32 H new ATOM 0 HB2 GLU A 73 -26.118 11.057 -4.807 1.00 71.12 H new ATOM 0 HB3 GLU A 73 -26.415 11.906 -6.310 1.00 71.12 H new ATOM 0 HG2 GLU A 73 -28.335 10.559 -5.879 1.00 20.21 H new ATOM 0 HG3 GLU A 73 -27.483 9.821 -7.221 1.00 20.21 H new ATOM 1089 N GLY A 74 -23.197 11.599 -7.632 1.00 2.44 N ATOM 1090 CA GLY A 74 -22.214 12.651 -7.822 1.00 61.44 C ATOM 1091 C GLY A 74 -20.800 12.187 -7.534 1.00 35.14 C ATOM 1092 O GLY A 74 -19.838 12.924 -7.754 1.00 72.13 O ATOM 0 H GLY A 74 -23.315 10.976 -8.431 1.00 2.44 H new ATOM 0 HA2 GLY A 74 -22.271 13.015 -8.848 1.00 61.44 H new ATOM 0 HA3 GLY A 74 -22.456 13.491 -7.171 1.00 61.44 H new ATOM 1096 N GLN A 75 -20.676 10.962 -7.044 1.00 51.21 N ATOM 1097 CA GLN A 75 -19.380 10.378 -6.719 1.00 40.12 C ATOM 1098 C GLN A 75 -19.533 8.885 -6.489 1.00 12.43 C ATOM 1099 O GLN A 75 -20.635 8.355 -6.580 1.00 21.41 O ATOM 1100 CB GLN A 75 -18.777 11.042 -5.476 1.00 4.31 C ATOM 1101 CG GLN A 75 -19.721 11.093 -4.284 1.00 53.35 C ATOM 1102 CD GLN A 75 -19.055 11.642 -3.040 1.00 65.44 C ATOM 1103 OE1 GLN A 75 -18.119 12.438 -3.119 1.00 60.03 O ATOM 1104 NE2 GLN A 75 -19.548 11.242 -1.880 1.00 52.41 N ATOM 0 H GLN A 75 -21.468 10.345 -6.860 1.00 51.21 H new ATOM 0 HA GLN A 75 -18.704 10.548 -7.557 1.00 40.12 H new ATOM 0 HB2 GLN A 75 -17.875 10.502 -5.189 1.00 4.31 H new ATOM 0 HB3 GLN A 75 -18.473 12.058 -5.730 1.00 4.31 H new ATOM 0 HG2 GLN A 75 -20.583 11.711 -4.534 1.00 53.35 H new ATOM 0 HG3 GLN A 75 -20.097 10.090 -4.079 1.00 53.35 H new ATOM 0 HE21 GLN A 75 -20.324 10.581 -1.857 1.00 52.41 H new ATOM 0 HE22 GLN A 75 -19.152 11.595 -1.009 1.00 52.41 H new ATOM 1113 N VAL A 76 -18.435 8.205 -6.209 1.00 2.01 N ATOM 1114 CA VAL A 76 -18.481 6.783 -5.900 1.00 54.21 C ATOM 1115 C VAL A 76 -17.545 6.454 -4.751 1.00 23.11 C ATOM 1116 O VAL A 76 -16.590 7.184 -4.487 1.00 33.32 O ATOM 1117 CB VAL A 76 -18.099 5.902 -7.109 1.00 52.24 C ATOM 1118 CG1 VAL A 76 -19.102 6.067 -8.239 1.00 34.34 C ATOM 1119 CG2 VAL A 76 -16.690 6.214 -7.583 1.00 12.45 C ATOM 0 H VAL A 76 -17.500 8.613 -6.189 1.00 2.01 H new ATOM 0 HA VAL A 76 -19.513 6.565 -5.625 1.00 54.21 H new ATOM 0 HB VAL A 76 -18.123 4.861 -6.788 1.00 52.24 H new ATOM 0 HG11 VAL A 76 -18.811 5.436 -9.079 1.00 34.34 H new ATOM 0 HG12 VAL A 76 -20.093 5.774 -7.892 1.00 34.34 H new ATOM 0 HG13 VAL A 76 -19.123 7.109 -8.558 1.00 34.34 H new ATOM 0 HG21 VAL A 76 -16.444 5.581 -8.435 1.00 12.45 H new ATOM 0 HG22 VAL A 76 -16.629 7.261 -7.880 1.00 12.45 H new ATOM 0 HG23 VAL A 76 -15.984 6.024 -6.775 1.00 12.45 H new ATOM 1129 N GLU A 77 -17.823 5.351 -4.081 1.00 34.33 N ATOM 1130 CA GLU A 77 -16.974 4.872 -3.004 1.00 23.45 C ATOM 1131 C GLU A 77 -16.122 3.711 -3.509 1.00 33.44 C ATOM 1132 O GLU A 77 -16.651 2.658 -3.876 1.00 71.13 O ATOM 1133 CB GLU A 77 -17.837 4.414 -1.821 1.00 32.43 C ATOM 1134 CG GLU A 77 -17.045 3.897 -0.628 1.00 0.52 C ATOM 1135 CD GLU A 77 -16.506 5.004 0.255 1.00 71.33 C ATOM 1136 OE1 GLU A 77 -17.289 5.544 1.073 1.00 40.41 O ATOM 1137 OE2 GLU A 77 -15.303 5.311 0.172 1.00 13.44 O ATOM 0 H GLU A 77 -18.637 4.765 -4.265 1.00 34.33 H new ATOM 0 HA GLU A 77 -16.322 5.680 -2.670 1.00 23.45 H new ATOM 0 HB2 GLU A 77 -18.458 5.249 -1.495 1.00 32.43 H new ATOM 0 HB3 GLU A 77 -18.512 3.629 -2.162 1.00 32.43 H new ATOM 0 HG2 GLU A 77 -17.683 3.244 -0.032 1.00 0.52 H new ATOM 0 HG3 GLU A 77 -16.214 3.290 -0.987 1.00 0.52 H new ATOM 1144 N LEU A 78 -14.813 3.914 -3.559 1.00 54.11 N ATOM 1145 CA LEU A 78 -13.899 2.854 -3.949 1.00 31.44 C ATOM 1146 C LEU A 78 -13.247 2.290 -2.700 1.00 0.32 C ATOM 1147 O LEU A 78 -12.513 2.992 -2.000 1.00 2.42 O ATOM 1148 CB LEU A 78 -12.848 3.379 -4.943 1.00 61.52 C ATOM 1149 CG LEU A 78 -11.962 2.321 -5.632 1.00 64.24 C ATOM 1150 CD1 LEU A 78 -10.829 1.861 -4.723 1.00 50.21 C ATOM 1151 CD2 LEU A 78 -12.797 1.127 -6.078 1.00 71.31 C ATOM 0 H LEU A 78 -14.363 4.801 -3.335 1.00 54.11 H new ATOM 0 HA LEU A 78 -14.448 2.060 -4.455 1.00 31.44 H new ATOM 0 HB2 LEU A 78 -13.364 3.947 -5.717 1.00 61.52 H new ATOM 0 HB3 LEU A 78 -12.198 4.077 -4.415 1.00 61.52 H new ATOM 0 HG LEU A 78 -11.518 2.789 -6.511 1.00 64.24 H new ATOM 0 HD11 LEU A 78 -10.226 1.116 -5.242 1.00 50.21 H new ATOM 0 HD12 LEU A 78 -10.204 2.715 -4.460 1.00 50.21 H new ATOM 0 HD13 LEU A 78 -11.245 1.423 -3.816 1.00 50.21 H new ATOM 0 HD21 LEU A 78 -12.153 0.393 -6.562 1.00 71.31 H new ATOM 0 HD22 LEU A 78 -13.276 0.674 -5.210 1.00 71.31 H new ATOM 0 HD23 LEU A 78 -13.560 1.459 -6.782 1.00 71.31 H new ATOM 1163 N ASP A 79 -13.541 1.036 -2.408 1.00 50.51 N ATOM 1164 CA ASP A 79 -13.041 0.401 -1.202 1.00 63.24 C ATOM 1165 C ASP A 79 -12.242 -0.846 -1.543 1.00 24.11 C ATOM 1166 O ASP A 79 -12.789 -1.838 -2.022 1.00 31.33 O ATOM 1167 CB ASP A 79 -14.202 0.047 -0.273 1.00 50.14 C ATOM 1168 CG ASP A 79 -13.734 -0.501 1.058 1.00 11.22 C ATOM 1169 OD1 ASP A 79 -13.329 0.302 1.926 1.00 51.40 O ATOM 1170 OD2 ASP A 79 -13.786 -1.733 1.255 1.00 13.25 O ATOM 0 H ASP A 79 -14.125 0.436 -2.991 1.00 50.51 H new ATOM 0 HA ASP A 79 -12.381 1.103 -0.692 1.00 63.24 H new ATOM 0 HB2 ASP A 79 -14.810 0.935 -0.103 1.00 50.14 H new ATOM 0 HB3 ASP A 79 -14.842 -0.689 -0.760 1.00 50.14 H new ATOM 1175 N ALA A 80 -10.943 -0.779 -1.310 1.00 14.12 N ATOM 1176 CA ALA A 80 -10.060 -1.893 -1.598 1.00 14.11 C ATOM 1177 C ALA A 80 -9.494 -2.488 -0.315 1.00 5.44 C ATOM 1178 O ALA A 80 -9.174 -1.766 0.632 1.00 12.30 O ATOM 1179 CB ALA A 80 -8.933 -1.447 -2.517 1.00 52.41 C ATOM 0 H ALA A 80 -10.476 0.040 -0.920 1.00 14.12 H new ATOM 0 HA ALA A 80 -10.641 -2.666 -2.101 1.00 14.11 H new ATOM 0 HB1 ALA A 80 -8.277 -2.292 -2.725 1.00 52.41 H new ATOM 0 HB2 ALA A 80 -9.352 -1.074 -3.451 1.00 52.41 H new ATOM 0 HB3 ALA A 80 -8.361 -0.655 -2.034 1.00 52.41 H new ATOM 1185 N ALA A 81 -9.395 -3.807 -0.286 1.00 14.23 N ATOM 1186 CA ALA A 81 -8.821 -4.523 0.840 1.00 1.33 C ATOM 1187 C ALA A 81 -7.969 -5.681 0.345 1.00 54.51 C ATOM 1188 O ALA A 81 -8.493 -6.678 -0.141 1.00 12.40 O ATOM 1189 CB ALA A 81 -9.920 -5.041 1.755 1.00 14.10 C ATOM 0 H ALA A 81 -9.711 -4.412 -1.044 1.00 14.23 H new ATOM 0 HA ALA A 81 -8.191 -3.835 1.404 1.00 1.33 H new ATOM 0 HB1 ALA A 81 -9.473 -5.575 2.594 1.00 14.10 H new ATOM 0 HB2 ALA A 81 -10.507 -4.202 2.130 1.00 14.10 H new ATOM 0 HB3 ALA A 81 -10.568 -5.717 1.198 1.00 14.10 H new ATOM 1195 N PHE A 82 -6.662 -5.541 0.446 1.00 44.43 N ATOM 1196 CA PHE A 82 -5.756 -6.582 -0.011 1.00 30.54 C ATOM 1197 C PHE A 82 -5.185 -7.355 1.166 1.00 30.51 C ATOM 1198 O PHE A 82 -4.426 -6.814 1.969 1.00 20.50 O ATOM 1199 CB PHE A 82 -4.618 -5.980 -0.839 1.00 11.51 C ATOM 1200 CG PHE A 82 -5.044 -5.484 -2.191 1.00 50.32 C ATOM 1201 CD1 PHE A 82 -5.562 -4.209 -2.349 1.00 55.53 C ATOM 1202 CD2 PHE A 82 -4.927 -6.300 -3.305 1.00 72.24 C ATOM 1203 CE1 PHE A 82 -5.952 -3.756 -3.594 1.00 32.24 C ATOM 1204 CE2 PHE A 82 -5.317 -5.851 -4.552 1.00 54.52 C ATOM 1205 CZ PHE A 82 -5.830 -4.579 -4.696 1.00 42.03 C ATOM 0 H PHE A 82 -6.202 -4.720 0.839 1.00 44.43 H new ATOM 0 HA PHE A 82 -6.324 -7.269 -0.638 1.00 30.54 H new ATOM 0 HB2 PHE A 82 -4.175 -5.154 -0.283 1.00 11.51 H new ATOM 0 HB3 PHE A 82 -3.839 -6.731 -0.968 1.00 11.51 H new ATOM 0 HD1 PHE A 82 -5.662 -3.562 -1.490 1.00 55.53 H new ATOM 0 HD2 PHE A 82 -4.527 -7.297 -3.197 1.00 72.24 H new ATOM 0 HE1 PHE A 82 -6.352 -2.759 -3.706 1.00 32.24 H new ATOM 0 HE2 PHE A 82 -5.220 -6.496 -5.413 1.00 54.52 H new ATOM 0 HZ PHE A 82 -6.136 -4.227 -5.670 1.00 42.03 H new ATOM 1215 N THR A 83 -5.568 -8.614 1.269 1.00 73.52 N ATOM 1216 CA THR A 83 -5.047 -9.494 2.297 1.00 20.22 C ATOM 1217 C THR A 83 -3.828 -10.239 1.771 1.00 61.10 C ATOM 1218 O THR A 83 -3.898 -10.932 0.752 1.00 0.24 O ATOM 1219 CB THR A 83 -6.117 -10.501 2.763 1.00 63.21 C ATOM 1220 OG1 THR A 83 -7.241 -9.795 3.310 1.00 44.15 O ATOM 1221 CG2 THR A 83 -5.555 -11.451 3.812 1.00 41.32 C ATOM 0 H THR A 83 -6.245 -9.053 0.646 1.00 73.52 H new ATOM 0 HA THR A 83 -4.759 -8.884 3.153 1.00 20.22 H new ATOM 0 HB THR A 83 -6.432 -11.087 1.900 1.00 63.21 H new ATOM 0 HG1 THR A 83 -6.938 -9.207 4.033 1.00 44.15 H new ATOM 0 HG21 THR A 83 -6.331 -12.150 4.123 1.00 41.32 H new ATOM 0 HG22 THR A 83 -4.716 -12.004 3.390 1.00 41.32 H new ATOM 0 HG23 THR A 83 -5.215 -10.879 4.676 1.00 41.32 H new ATOM 1229 N PHE A 84 -2.715 -10.075 2.462 1.00 54.43 N ATOM 1230 CA PHE A 84 -1.463 -10.680 2.051 1.00 11.15 C ATOM 1231 C PHE A 84 -1.117 -11.828 2.980 1.00 54.54 C ATOM 1232 O PHE A 84 -1.908 -12.189 3.853 1.00 34.24 O ATOM 1233 CB PHE A 84 -0.343 -9.640 2.077 1.00 31.53 C ATOM 1234 CG PHE A 84 -0.651 -8.401 1.293 1.00 24.25 C ATOM 1235 CD1 PHE A 84 -0.505 -8.382 -0.085 1.00 23.14 C ATOM 1236 CD2 PHE A 84 -1.084 -7.250 1.933 1.00 25.42 C ATOM 1237 CE1 PHE A 84 -0.782 -7.239 -0.809 1.00 43.11 C ATOM 1238 CE2 PHE A 84 -1.362 -6.106 1.215 1.00 71.13 C ATOM 1239 CZ PHE A 84 -1.212 -6.102 -0.159 1.00 61.34 C ATOM 0 H PHE A 84 -2.654 -9.523 3.317 1.00 54.43 H new ATOM 0 HA PHE A 84 -1.571 -11.059 1.035 1.00 11.15 H new ATOM 0 HB2 PHE A 84 -0.141 -9.363 3.112 1.00 31.53 H new ATOM 0 HB3 PHE A 84 0.568 -10.091 1.684 1.00 31.53 H new ATOM 0 HD1 PHE A 84 -0.171 -9.271 -0.599 1.00 23.14 H new ATOM 0 HD2 PHE A 84 -1.205 -7.249 3.006 1.00 25.42 H new ATOM 0 HE1 PHE A 84 -0.662 -7.236 -1.882 1.00 43.11 H new ATOM 0 HE2 PHE A 84 -1.696 -5.215 1.725 1.00 71.13 H new ATOM 0 HZ PHE A 84 -1.432 -5.208 -0.723 1.00 61.34 H new ATOM 1249 N SER A 85 0.064 -12.397 2.791 1.00 24.11 N ATOM 1250 CA SER A 85 0.546 -13.452 3.659 1.00 23.30 C ATOM 1251 C SER A 85 0.877 -12.890 5.039 1.00 44.12 C ATOM 1252 O SER A 85 0.504 -13.460 6.065 1.00 14.40 O ATOM 1253 CB SER A 85 1.779 -14.104 3.037 1.00 22.10 C ATOM 1254 OG SER A 85 1.553 -14.401 1.667 1.00 43.22 O ATOM 0 H SER A 85 0.706 -12.142 2.040 1.00 24.11 H new ATOM 0 HA SER A 85 -0.233 -14.206 3.774 1.00 23.30 H new ATOM 0 HB2 SER A 85 2.636 -13.438 3.133 1.00 22.10 H new ATOM 0 HB3 SER A 85 2.024 -15.019 3.577 1.00 22.10 H new ATOM 0 HG SER A 85 2.355 -14.816 1.286 1.00 43.22 H new ATOM 1260 N CYS A 86 1.558 -11.753 5.055 1.00 11.31 N ATOM 1261 CA CYS A 86 1.940 -11.109 6.301 1.00 2.22 C ATOM 1262 C CYS A 86 1.977 -9.595 6.100 1.00 53.21 C ATOM 1263 O CYS A 86 1.712 -9.105 5.001 1.00 55.21 O ATOM 1264 CB CYS A 86 3.303 -11.638 6.765 1.00 20.23 C ATOM 1265 SG CYS A 86 3.784 -11.115 8.428 1.00 14.43 S ATOM 0 H CYS A 86 1.858 -11.257 4.216 1.00 11.31 H new ATOM 0 HA CYS A 86 1.207 -11.338 7.075 1.00 2.22 H new ATOM 0 HB2 CYS A 86 3.286 -12.727 6.731 1.00 20.23 H new ATOM 0 HB3 CYS A 86 4.066 -11.309 6.059 1.00 20.23 H new ATOM 0 HG CYS A 86 4.946 -11.617 8.722 1.00 14.43 H new ATOM 1271 N GLN A 87 2.301 -8.858 7.156 1.00 2.21 N ATOM 1272 CA GLN A 87 2.354 -7.403 7.079 1.00 72.51 C ATOM 1273 C GLN A 87 3.604 -6.933 6.335 1.00 71.10 C ATOM 1274 O GLN A 87 3.666 -5.796 5.869 1.00 4.22 O ATOM 1275 CB GLN A 87 2.286 -6.782 8.480 1.00 33.25 C ATOM 1276 CG GLN A 87 2.397 -5.265 8.478 1.00 63.24 C ATOM 1277 CD GLN A 87 2.011 -4.644 9.802 1.00 22.11 C ATOM 1278 OE1 GLN A 87 2.848 -4.480 10.688 1.00 61.11 O ATOM 1279 NE2 GLN A 87 0.743 -4.286 9.940 1.00 14.15 N ATOM 0 H GLN A 87 2.530 -9.242 8.073 1.00 2.21 H new ATOM 0 HA GLN A 87 1.485 -7.066 6.514 1.00 72.51 H new ATOM 0 HB2 GLN A 87 1.346 -7.069 8.950 1.00 33.25 H new ATOM 0 HB3 GLN A 87 3.088 -7.196 9.092 1.00 33.25 H new ATOM 0 HG2 GLN A 87 3.421 -4.981 8.234 1.00 63.24 H new ATOM 0 HG3 GLN A 87 1.758 -4.860 7.693 1.00 63.24 H new ATOM 0 HE21 GLN A 87 0.083 -4.441 9.178 1.00 14.15 H new ATOM 0 HE22 GLN A 87 0.426 -3.855 10.809 1.00 14.15 H new ATOM 1288 N ALA A 88 4.584 -7.818 6.195 1.00 1.11 N ATOM 1289 CA ALA A 88 5.816 -7.492 5.487 1.00 50.20 C ATOM 1290 C ALA A 88 5.517 -7.079 4.051 1.00 35.11 C ATOM 1291 O ALA A 88 5.973 -6.037 3.586 1.00 63.02 O ATOM 1292 CB ALA A 88 6.766 -8.676 5.516 1.00 40.22 C ATOM 0 H ALA A 88 4.549 -8.769 6.563 1.00 1.11 H new ATOM 0 HA ALA A 88 6.293 -6.651 5.990 1.00 50.20 H new ATOM 0 HB1 ALA A 88 7.682 -8.420 4.984 1.00 40.22 H new ATOM 0 HB2 ALA A 88 7.004 -8.926 6.550 1.00 40.22 H new ATOM 0 HB3 ALA A 88 6.294 -9.533 5.035 1.00 40.22 H new ATOM 1298 N GLU A 89 4.741 -7.898 3.356 1.00 45.32 N ATOM 1299 CA GLU A 89 4.314 -7.577 2.001 1.00 72.11 C ATOM 1300 C GLU A 89 3.230 -6.503 2.008 1.00 10.33 C ATOM 1301 O GLU A 89 3.072 -5.767 1.038 1.00 34.41 O ATOM 1302 CB GLU A 89 3.830 -8.827 1.248 1.00 54.23 C ATOM 1303 CG GLU A 89 3.116 -9.857 2.109 1.00 72.20 C ATOM 1304 CD GLU A 89 4.080 -10.780 2.823 1.00 12.21 C ATOM 1305 OE1 GLU A 89 4.559 -11.744 2.195 1.00 14.51 O ATOM 1306 OE2 GLU A 89 4.372 -10.535 4.008 1.00 41.30 O ATOM 0 H GLU A 89 4.394 -8.790 3.708 1.00 45.32 H new ATOM 0 HA GLU A 89 5.183 -7.186 1.472 1.00 72.11 H new ATOM 0 HB2 GLU A 89 3.158 -8.514 0.449 1.00 54.23 H new ATOM 0 HB3 GLU A 89 4.689 -9.303 0.774 1.00 54.23 H new ATOM 0 HG2 GLU A 89 2.496 -9.345 2.844 1.00 72.20 H new ATOM 0 HG3 GLU A 89 2.447 -10.448 1.484 1.00 72.20 H new ATOM 1313 N MET A 90 2.491 -6.424 3.107 1.00 30.42 N ATOM 1314 CA MET A 90 1.449 -5.411 3.264 1.00 4.42 C ATOM 1315 C MET A 90 2.028 -3.999 3.193 1.00 40.45 C ATOM 1316 O MET A 90 1.620 -3.193 2.357 1.00 13.02 O ATOM 1317 CB MET A 90 0.722 -5.596 4.599 1.00 70.22 C ATOM 1318 CG MET A 90 -0.237 -4.461 4.938 1.00 41.44 C ATOM 1319 SD MET A 90 -0.908 -4.582 6.607 1.00 31.40 S ATOM 1320 CE MET A 90 -1.817 -3.039 6.700 1.00 52.33 C ATOM 0 H MET A 90 2.592 -7.050 3.906 1.00 30.42 H new ATOM 0 HA MET A 90 0.743 -5.537 2.443 1.00 4.42 H new ATOM 0 HB2 MET A 90 0.166 -6.533 4.573 1.00 70.22 H new ATOM 0 HB3 MET A 90 1.461 -5.685 5.395 1.00 70.22 H new ATOM 0 HG2 MET A 90 0.282 -3.509 4.829 1.00 41.44 H new ATOM 0 HG3 MET A 90 -1.058 -4.460 4.221 1.00 41.44 H new ATOM 0 HE1 MET A 90 -1.298 -2.350 7.366 1.00 52.33 H new ATOM 0 HE2 MET A 90 -1.888 -2.598 5.706 1.00 52.33 H new ATOM 0 HE3 MET A 90 -2.819 -3.230 7.084 1.00 52.33 H new ATOM 1330 N ILE A 91 2.988 -3.710 4.066 1.00 2.40 N ATOM 1331 CA ILE A 91 3.547 -2.371 4.177 1.00 65.23 C ATOM 1332 C ILE A 91 4.253 -1.935 2.894 1.00 63.25 C ATOM 1333 O ILE A 91 4.054 -0.816 2.425 1.00 23.42 O ATOM 1334 CB ILE A 91 4.519 -2.257 5.373 1.00 32.11 C ATOM 1335 CG1 ILE A 91 5.529 -3.410 5.370 1.00 11.24 C ATOM 1336 CG2 ILE A 91 3.743 -2.225 6.684 1.00 15.14 C ATOM 1337 CD1 ILE A 91 6.636 -3.251 6.391 1.00 22.23 C ATOM 0 H ILE A 91 3.395 -4.390 4.708 1.00 2.40 H new ATOM 0 HA ILE A 91 2.704 -1.702 4.346 1.00 65.23 H new ATOM 0 HB ILE A 91 5.074 -1.324 5.275 1.00 32.11 H new ATOM 0 HG12 ILE A 91 5.001 -4.344 5.562 1.00 11.24 H new ATOM 0 HG13 ILE A 91 5.971 -3.492 4.377 1.00 11.24 H new ATOM 0 HG21 ILE A 91 4.440 -2.145 7.518 1.00 15.14 H new ATOM 0 HG22 ILE A 91 3.072 -1.366 6.688 1.00 15.14 H new ATOM 0 HG23 ILE A 91 3.161 -3.141 6.785 1.00 15.14 H new ATOM 0 HD11 ILE A 91 7.312 -4.104 6.331 1.00 22.23 H new ATOM 0 HD12 ILE A 91 7.189 -2.334 6.188 1.00 22.23 H new ATOM 0 HD13 ILE A 91 6.204 -3.200 7.391 1.00 22.23 H new ATOM 1349 N ILE A 92 5.058 -2.817 2.312 1.00 24.33 N ATOM 1350 CA ILE A 92 5.809 -2.469 1.112 1.00 3.13 C ATOM 1351 C ILE A 92 4.873 -2.191 -0.064 1.00 60.40 C ATOM 1352 O ILE A 92 5.188 -1.390 -0.943 1.00 34.33 O ATOM 1353 CB ILE A 92 6.853 -3.554 0.735 1.00 20.12 C ATOM 1354 CG1 ILE A 92 6.210 -4.929 0.529 1.00 20.20 C ATOM 1355 CG2 ILE A 92 7.936 -3.633 1.798 1.00 2.53 C ATOM 1356 CD1 ILE A 92 5.796 -5.209 -0.901 1.00 31.14 C ATOM 0 H ILE A 92 5.206 -3.769 2.647 1.00 24.33 H new ATOM 0 HA ILE A 92 6.359 -1.556 1.340 1.00 3.13 H new ATOM 0 HB ILE A 92 7.299 -3.259 -0.215 1.00 20.12 H new ATOM 0 HG12 ILE A 92 6.912 -5.698 0.850 1.00 20.20 H new ATOM 0 HG13 ILE A 92 5.334 -5.009 1.172 1.00 20.20 H new ATOM 0 HG21 ILE A 92 8.662 -4.398 1.522 1.00 2.53 H new ATOM 0 HG22 ILE A 92 8.438 -2.669 1.879 1.00 2.53 H new ATOM 0 HG23 ILE A 92 7.486 -3.889 2.757 1.00 2.53 H new ATOM 0 HD11 ILE A 92 5.350 -6.201 -0.963 1.00 31.14 H new ATOM 0 HD12 ILE A 92 5.069 -4.463 -1.222 1.00 31.14 H new ATOM 0 HD13 ILE A 92 6.672 -5.164 -1.549 1.00 31.14 H new ATOM 1368 N PHE A 93 3.720 -2.848 -0.059 1.00 15.21 N ATOM 1369 CA PHE A 93 2.722 -2.671 -1.105 1.00 11.13 C ATOM 1370 C PHE A 93 2.172 -1.247 -1.095 1.00 50.11 C ATOM 1371 O PHE A 93 2.169 -0.564 -2.121 1.00 43.43 O ATOM 1372 CB PHE A 93 1.587 -3.680 -0.907 1.00 61.42 C ATOM 1373 CG PHE A 93 0.427 -3.519 -1.850 1.00 72.33 C ATOM 1374 CD1 PHE A 93 0.565 -3.802 -3.198 1.00 31.33 C ATOM 1375 CD2 PHE A 93 -0.805 -3.094 -1.382 1.00 14.42 C ATOM 1376 CE1 PHE A 93 -0.505 -3.664 -4.061 1.00 32.32 C ATOM 1377 CE2 PHE A 93 -1.878 -2.957 -2.239 1.00 72.43 C ATOM 1378 CZ PHE A 93 -1.728 -3.242 -3.580 1.00 33.33 C ATOM 0 H PHE A 93 3.452 -3.514 0.665 1.00 15.21 H new ATOM 0 HA PHE A 93 3.193 -2.844 -2.072 1.00 11.13 H new ATOM 0 HB2 PHE A 93 1.991 -4.686 -1.019 1.00 61.42 H new ATOM 0 HB3 PHE A 93 1.220 -3.596 0.116 1.00 61.42 H new ATOM 0 HD1 PHE A 93 1.519 -4.134 -3.579 1.00 31.33 H new ATOM 0 HD2 PHE A 93 -0.928 -2.867 -0.333 1.00 14.42 H new ATOM 0 HE1 PHE A 93 -0.385 -3.886 -5.111 1.00 32.32 H new ATOM 0 HE2 PHE A 93 -2.834 -2.627 -1.860 1.00 72.43 H new ATOM 0 HZ PHE A 93 -2.566 -3.135 -4.253 1.00 33.33 H new ATOM 1388 N GLU A 94 1.732 -0.795 0.074 1.00 53.45 N ATOM 1389 CA GLU A 94 1.128 0.523 0.198 1.00 11.02 C ATOM 1390 C GLU A 94 2.169 1.633 0.090 1.00 43.44 C ATOM 1391 O GLU A 94 1.848 2.751 -0.322 1.00 5.14 O ATOM 1392 CB GLU A 94 0.324 0.643 1.489 1.00 54.13 C ATOM 1393 CG GLU A 94 1.034 0.128 2.724 1.00 73.11 C ATOM 1394 CD GLU A 94 0.229 0.383 3.973 1.00 15.14 C ATOM 1395 OE1 GLU A 94 -0.650 -0.446 4.294 1.00 12.41 O ATOM 1396 OE2 GLU A 94 0.447 1.434 4.612 1.00 11.20 O ATOM 0 H GLU A 94 1.783 -1.321 0.946 1.00 53.45 H new ATOM 0 HA GLU A 94 0.438 0.643 -0.637 1.00 11.02 H new ATOM 0 HB2 GLU A 94 0.066 1.690 1.645 1.00 54.13 H new ATOM 0 HB3 GLU A 94 -0.612 0.098 1.370 1.00 54.13 H new ATOM 0 HG2 GLU A 94 1.217 -0.942 2.620 1.00 73.11 H new ATOM 0 HG3 GLU A 94 2.007 0.610 2.813 1.00 73.11 H new ATOM 1403 N LEU A 95 3.413 1.337 0.464 1.00 25.13 N ATOM 1404 CA LEU A 95 4.506 2.282 0.258 1.00 43.11 C ATOM 1405 C LEU A 95 4.595 2.647 -1.221 1.00 43.45 C ATOM 1406 O LEU A 95 4.606 3.823 -1.589 1.00 64.11 O ATOM 1407 CB LEU A 95 5.844 1.694 0.724 1.00 72.43 C ATOM 1408 CG LEU A 95 5.953 1.379 2.219 1.00 51.45 C ATOM 1409 CD1 LEU A 95 7.294 0.730 2.525 1.00 4.40 C ATOM 1410 CD2 LEU A 95 5.768 2.634 3.059 1.00 65.31 C ATOM 0 H LEU A 95 3.686 0.460 0.907 1.00 25.13 H new ATOM 0 HA LEU A 95 4.301 3.175 0.849 1.00 43.11 H new ATOM 0 HB2 LEU A 95 6.030 0.777 0.165 1.00 72.43 H new ATOM 0 HB3 LEU A 95 6.637 2.394 0.461 1.00 72.43 H new ATOM 0 HG LEU A 95 5.156 0.681 2.477 1.00 51.45 H new ATOM 0 HD11 LEU A 95 7.358 0.512 3.591 1.00 4.40 H new ATOM 0 HD12 LEU A 95 7.387 -0.197 1.959 1.00 4.40 H new ATOM 0 HD13 LEU A 95 8.099 1.409 2.245 1.00 4.40 H new ATOM 0 HD21 LEU A 95 5.850 2.380 4.116 1.00 65.31 H new ATOM 0 HD22 LEU A 95 6.537 3.362 2.800 1.00 65.31 H new ATOM 0 HD23 LEU A 95 4.784 3.061 2.864 1.00 65.31 H new ATOM 1422 N SER A 96 4.621 1.623 -2.060 1.00 60.33 N ATOM 1423 CA SER A 96 4.688 1.806 -3.503 1.00 5.22 C ATOM 1424 C SER A 96 3.457 2.536 -4.031 1.00 5.13 C ATOM 1425 O SER A 96 3.572 3.406 -4.891 1.00 33.31 O ATOM 1426 CB SER A 96 4.829 0.454 -4.195 1.00 64.14 C ATOM 1427 OG SER A 96 6.019 -0.197 -3.789 1.00 32.03 O ATOM 0 H SER A 96 4.596 0.647 -1.763 1.00 60.33 H new ATOM 0 HA SER A 96 5.562 2.419 -3.723 1.00 5.22 H new ATOM 0 HB2 SER A 96 3.968 -0.172 -3.959 1.00 64.14 H new ATOM 0 HB3 SER A 96 4.836 0.593 -5.276 1.00 64.14 H new ATOM 0 HG SER A 96 5.888 -0.594 -2.903 1.00 32.03 H new ATOM 1433 N LEU A 97 2.284 2.190 -3.502 1.00 21.33 N ATOM 1434 CA LEU A 97 1.028 2.796 -3.946 1.00 21.24 C ATOM 1435 C LEU A 97 1.097 4.319 -3.884 1.00 31.25 C ATOM 1436 O LEU A 97 0.763 5.010 -4.850 1.00 63.24 O ATOM 1437 CB LEU A 97 -0.140 2.326 -3.073 1.00 21.24 C ATOM 1438 CG LEU A 97 -0.400 0.823 -3.057 1.00 73.12 C ATOM 1439 CD1 LEU A 97 -1.596 0.508 -2.174 1.00 72.33 C ATOM 1440 CD2 LEU A 97 -0.622 0.298 -4.463 1.00 34.20 C ATOM 0 H LEU A 97 2.177 1.493 -2.765 1.00 21.33 H new ATOM 0 HA LEU A 97 0.869 2.483 -4.978 1.00 21.24 H new ATOM 0 HB2 LEU A 97 0.042 2.654 -2.050 1.00 21.24 H new ATOM 0 HB3 LEU A 97 -1.046 2.828 -3.412 1.00 21.24 H new ATOM 0 HG LEU A 97 0.479 0.325 -2.647 1.00 73.12 H new ATOM 0 HD11 LEU A 97 -1.772 -0.568 -2.170 1.00 72.33 H new ATOM 0 HD12 LEU A 97 -1.397 0.847 -1.157 1.00 72.33 H new ATOM 0 HD13 LEU A 97 -2.478 1.019 -2.560 1.00 72.33 H new ATOM 0 HD21 LEU A 97 -0.805 -0.776 -4.426 1.00 34.20 H new ATOM 0 HD22 LEU A 97 -1.483 0.798 -4.906 1.00 34.20 H new ATOM 0 HD23 LEU A 97 0.263 0.494 -5.069 1.00 34.20 H new ATOM 1452 N ARG A 98 1.559 4.823 -2.752 1.00 70.52 N ATOM 1453 CA ARG A 98 1.518 6.248 -2.473 1.00 73.41 C ATOM 1454 C ARG A 98 2.620 7.006 -3.221 1.00 11.22 C ATOM 1455 O ARG A 98 2.386 8.104 -3.721 1.00 32.12 O ATOM 1456 CB ARG A 98 1.602 6.468 -0.963 1.00 44.44 C ATOM 1457 CG ARG A 98 0.450 5.810 -0.211 1.00 25.32 C ATOM 1458 CD ARG A 98 0.672 5.809 1.289 1.00 33.20 C ATOM 1459 NE ARG A 98 -0.357 5.040 1.994 1.00 1.02 N ATOM 1460 CZ ARG A 98 -0.092 4.067 2.872 1.00 55.54 C ATOM 1461 NH1 ARG A 98 1.160 3.741 3.161 1.00 3.50 N ATOM 1462 NH2 ARG A 98 -1.074 3.402 3.462 1.00 50.11 N ATOM 0 H ARG A 98 1.970 4.261 -2.006 1.00 70.52 H new ATOM 0 HA ARG A 98 0.573 6.651 -2.836 1.00 73.41 H new ATOM 0 HB2 ARG A 98 2.547 6.070 -0.593 1.00 44.44 H new ATOM 0 HB3 ARG A 98 1.603 7.538 -0.755 1.00 44.44 H new ATOM 0 HG2 ARG A 98 -0.478 6.335 -0.439 1.00 25.32 H new ATOM 0 HG3 ARG A 98 0.330 4.784 -0.560 1.00 25.32 H new ATOM 0 HD2 ARG A 98 1.654 5.390 1.510 1.00 33.20 H new ATOM 0 HD3 ARG A 98 0.673 6.835 1.656 1.00 33.20 H new ATOM 0 HE ARG A 98 -1.335 5.260 1.803 1.00 1.02 H new ATOM 0 HH11 ARG A 98 1.932 4.234 2.712 1.00 3.50 H new ATOM 0 HH12 ARG A 98 1.351 2.997 3.832 1.00 3.50 H new ATOM 0 HH21 ARG A 98 -2.045 3.630 3.248 1.00 50.11 H new ATOM 0 HH22 ARG A 98 -0.859 2.662 4.130 1.00 50.11 H new ATOM 1476 N SER A 99 3.806 6.410 -3.323 1.00 15.34 N ATOM 1477 CA SER A 99 4.924 7.051 -4.020 1.00 53.44 C ATOM 1478 C SER A 99 4.741 7.008 -5.537 1.00 45.03 C ATOM 1479 O SER A 99 5.326 7.811 -6.269 1.00 43.35 O ATOM 1480 CB SER A 99 6.244 6.377 -3.638 1.00 34.01 C ATOM 1481 OG SER A 99 6.492 6.489 -2.248 1.00 63.41 O ATOM 0 H SER A 99 4.019 5.491 -2.936 1.00 15.34 H new ATOM 0 HA SER A 99 4.947 8.096 -3.712 1.00 53.44 H new ATOM 0 HB2 SER A 99 6.214 5.325 -3.921 1.00 34.01 H new ATOM 0 HB3 SER A 99 7.063 6.833 -4.194 1.00 34.01 H new ATOM 0 HG SER A 99 7.340 6.049 -2.031 1.00 63.41 H new ATOM 1487 N LEU A 100 3.929 6.072 -6.007 1.00 34.51 N ATOM 1488 CA LEU A 100 3.733 5.882 -7.436 1.00 31.14 C ATOM 1489 C LEU A 100 2.688 6.841 -7.978 1.00 14.30 C ATOM 1490 O LEU A 100 2.888 7.476 -9.015 1.00 10.32 O ATOM 1491 CB LEU A 100 3.293 4.452 -7.708 1.00 25.24 C ATOM 1492 CG LEU A 100 3.549 3.946 -9.126 1.00 73.35 C ATOM 1493 CD1 LEU A 100 5.032 4.022 -9.465 1.00 74.33 C ATOM 1494 CD2 LEU A 100 3.043 2.523 -9.277 1.00 21.52 C ATOM 0 H LEU A 100 3.395 5.432 -5.419 1.00 34.51 H new ATOM 0 HA LEU A 100 4.680 6.082 -7.937 1.00 31.14 H new ATOM 0 HB2 LEU A 100 3.805 3.793 -7.007 1.00 25.24 H new ATOM 0 HB3 LEU A 100 2.226 4.372 -7.499 1.00 25.24 H new ATOM 0 HG LEU A 100 3.006 4.585 -9.823 1.00 73.35 H new ATOM 0 HD11 LEU A 100 5.193 3.657 -10.479 1.00 74.33 H new ATOM 0 HD12 LEU A 100 5.369 5.056 -9.394 1.00 74.33 H new ATOM 0 HD13 LEU A 100 5.597 3.407 -8.764 1.00 74.33 H new ATOM 0 HD21 LEU A 100 3.232 2.175 -10.293 1.00 21.52 H new ATOM 0 HD22 LEU A 100 3.561 1.876 -8.570 1.00 21.52 H new ATOM 0 HD23 LEU A 100 1.972 2.495 -9.077 1.00 21.52 H new