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 29 THR OG1 : rot -101:sc= 0.846 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.742 USER MOD Set 2.1: A 27 ASN : amide:sc=-0.00363 K(o=0.1,f=-11!) USER MOD Set 2.2: A 28 CYS SG : rot 180:sc= 0.105 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -115:sc= 0.675 (180deg=-0.512) USER MOD Single : A 33 SER OG : rot 44:sc= 0.0657 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 44 SER OG : rot 74:sc= 1.09 USER MOD Single : A 46 MET CE :methyl 135:sc= -1.63 (180deg=-3.08) USER MOD Single : A 47 THR OG1 : rot 58:sc= 0.16 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= -0.0731 (180deg=-0.408) USER MOD Single : A 57 SER OG : rot -84:sc= 1.25 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 -163:sc= 1.22 USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= -1.11 (180deg=-2.32!) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc=-0.00659 (180deg=-0.197) USER MOD Single : A 75 GLN : amide:sc= -0.0076 K(o=-0.0076,f=-1) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.00464 X(o=0.0046,f=-0.23) USER MOD Single : A 90 MET CE :methyl -117:sc= -0.717 (180deg=-1.58) USER MOD Single : A 96 SER OG : rot 87:sc= 1.21 USER MOD Single : A 99 SER OG : rot 78:sc= 0.00108 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -1.541 -3.671 10.540 1.00 34.20 N ATOM 378 CA ASN A 27 -2.353 -4.778 10.018 1.00 63.51 C ATOM 379 C ASN A 27 -1.676 -5.453 8.815 1.00 61.05 C ATOM 380 O ASN A 27 -0.751 -4.906 8.211 1.00 24.20 O ATOM 381 CB ASN A 27 -3.766 -4.275 9.643 1.00 21.15 C ATOM 382 CG ASN A 27 -4.831 -5.365 9.653 1.00 74.14 C ATOM 383 OD1 ASN A 27 -4.566 -6.531 9.370 1.00 22.03 O ATOM 384 ND2 ASN A 27 -6.054 -4.983 9.981 1.00 2.40 N ATOM 0 HA ASN A 27 -2.446 -5.528 10.803 1.00 63.51 H new ATOM 0 HB2 ASN A 27 -4.058 -3.489 10.339 1.00 21.15 H new ATOM 0 HB3 ASN A 27 -3.730 -3.825 8.651 1.00 21.15 H new ATOM 0 HD21 ASN A 27 -6.812 -5.665 10.005 1.00 2.40 H new ATOM 0 HD22 ASN A 27 -6.239 -4.006 10.210 1.00 2.40 H new ATOM 391 N CYS A 28 -2.115 -6.666 8.508 1.00 11.34 N ATOM 392 CA CYS A 28 -1.646 -7.395 7.337 1.00 70.35 C ATOM 393 C CYS A 28 -2.619 -7.205 6.179 1.00 71.24 C ATOM 394 O CYS A 28 -2.374 -7.651 5.055 1.00 62.33 O ATOM 395 CB CYS A 28 -1.503 -8.878 7.671 1.00 32.35 C ATOM 396 SG CYS A 28 -2.970 -9.594 8.455 1.00 24.52 S ATOM 0 H CYS A 28 -2.805 -7.172 9.063 1.00 11.34 H new ATOM 0 HA CYS A 28 -0.672 -7.006 7.041 1.00 70.35 H new ATOM 0 HB2 CYS A 28 -1.287 -9.428 6.755 1.00 32.35 H new ATOM 0 HB3 CYS A 28 -0.647 -9.011 8.333 1.00 32.35 H new ATOM 0 HG CYS A 28 -2.760 -10.853 8.700 1.00 24.52 H new ATOM 402 N THR A 29 -3.731 -6.547 6.475 1.00 2.52 N ATOM 403 CA THR A 29 -4.730 -6.223 5.472 1.00 73.25 C ATOM 404 C THR A 29 -4.728 -4.721 5.201 1.00 33.13 C ATOM 405 O THR A 29 -4.810 -3.914 6.126 1.00 21.40 O ATOM 406 CB THR A 29 -6.138 -6.672 5.919 1.00 72.25 C ATOM 407 OG1 THR A 29 -6.167 -8.095 6.073 1.00 22.01 O ATOM 408 CG2 THR A 29 -7.203 -6.252 4.915 1.00 15.40 C ATOM 0 H THR A 29 -3.964 -6.225 7.414 1.00 2.52 H new ATOM 0 HA THR A 29 -4.476 -6.759 4.557 1.00 73.25 H new ATOM 0 HB THR A 29 -6.356 -6.188 6.871 1.00 72.25 H new ATOM 0 HG1 THR A 29 -6.589 -8.501 5.287 1.00 22.01 H new ATOM 0 HG21 THR A 29 -8.181 -6.585 5.262 1.00 15.40 H new ATOM 0 HG22 THR A 29 -7.203 -5.166 4.817 1.00 15.40 H new ATOM 0 HG23 THR A 29 -6.989 -6.704 3.947 1.00 15.40 H new ATOM 416 N SER A 30 -4.633 -4.355 3.934 1.00 40.41 N ATOM 417 CA SER A 30 -4.580 -2.958 3.548 1.00 24.11 C ATOM 418 C SER A 30 -5.963 -2.474 3.126 1.00 1.43 C ATOM 419 O SER A 30 -6.552 -2.990 2.173 1.00 25.41 O ATOM 420 CB SER A 30 -3.577 -2.771 2.406 1.00 41.50 C ATOM 421 OG SER A 30 -3.348 -1.399 2.135 1.00 61.25 O ATOM 0 H SER A 30 -4.591 -5.010 3.153 1.00 40.41 H new ATOM 0 HA SER A 30 -4.254 -2.366 4.403 1.00 24.11 H new ATOM 0 HB2 SER A 30 -2.635 -3.254 2.665 1.00 41.50 H new ATOM 0 HB3 SER A 30 -3.951 -3.263 1.508 1.00 41.50 H new ATOM 0 HG SER A 30 -2.702 -1.314 1.403 1.00 61.25 H new ATOM 427 N LYS A 31 -6.486 -1.507 3.862 1.00 53.31 N ATOM 428 CA LYS A 31 -7.781 -0.920 3.554 1.00 73.31 C ATOM 429 C LYS A 31 -7.599 0.415 2.850 1.00 34.11 C ATOM 430 O LYS A 31 -7.112 1.380 3.438 1.00 2.24 O ATOM 431 CB LYS A 31 -8.600 -0.727 4.830 1.00 44.32 C ATOM 432 CG LYS A 31 -9.156 -2.018 5.411 1.00 3.13 C ATOM 433 CD LYS A 31 -10.269 -2.587 4.543 1.00 13.45 C ATOM 434 CE LYS A 31 -11.448 -1.632 4.452 1.00 21.43 C ATOM 435 NZ LYS A 31 -12.549 -2.168 3.608 1.00 4.13 N ATOM 0 H LYS A 31 -6.030 -1.109 4.683 1.00 53.31 H new ATOM 0 HA LYS A 31 -8.318 -1.601 2.893 1.00 73.31 H new ATOM 0 HB2 LYS A 31 -7.975 -0.243 5.580 1.00 44.32 H new ATOM 0 HB3 LYS A 31 -9.428 -0.050 4.619 1.00 44.32 H new ATOM 0 HG2 LYS A 31 -8.355 -2.751 5.504 1.00 3.13 H new ATOM 0 HG3 LYS A 31 -9.536 -1.832 6.416 1.00 3.13 H new ATOM 0 HD2 LYS A 31 -9.885 -2.789 3.543 1.00 13.45 H new ATOM 0 HD3 LYS A 31 -10.602 -3.540 4.955 1.00 13.45 H new ATOM 0 HE2 LYS A 31 -11.827 -1.431 5.454 1.00 21.43 H new ATOM 0 HE3 LYS A 31 -11.110 -0.680 4.042 1.00 21.43 H new ATOM 0 HZ1 LYS A 31 -12.663 -1.569 2.765 1.00 4.13 H new ATOM 0 HZ2 LYS A 31 -12.320 -3.139 3.314 1.00 4.13 H new ATOM 0 HZ3 LYS A 31 -13.435 -2.171 4.153 1.00 4.13 H new ATOM 449 N PHE A 32 -7.998 0.461 1.595 1.00 13.14 N ATOM 450 CA PHE A 32 -7.841 1.653 0.781 1.00 24.15 C ATOM 451 C PHE A 32 -9.203 2.194 0.373 1.00 71.10 C ATOM 452 O PHE A 32 -9.995 1.489 -0.248 1.00 11.14 O ATOM 453 CB PHE A 32 -7.004 1.327 -0.461 1.00 42.12 C ATOM 454 CG PHE A 32 -6.746 2.508 -1.349 1.00 21.01 C ATOM 455 CD1 PHE A 32 -5.753 3.421 -1.037 1.00 73.33 C ATOM 456 CD2 PHE A 32 -7.498 2.706 -2.496 1.00 14.13 C ATOM 457 CE1 PHE A 32 -5.515 4.511 -1.852 1.00 74.22 C ATOM 458 CE2 PHE A 32 -7.265 3.793 -3.311 1.00 44.11 C ATOM 459 CZ PHE A 32 -6.271 4.696 -2.991 1.00 51.30 C ATOM 0 H PHE A 32 -8.438 -0.322 1.111 1.00 13.14 H new ATOM 0 HA PHE A 32 -7.326 2.416 1.364 1.00 24.15 H new ATOM 0 HB2 PHE A 32 -6.049 0.908 -0.143 1.00 42.12 H new ATOM 0 HB3 PHE A 32 -7.514 0.556 -1.038 1.00 42.12 H new ATOM 0 HD1 PHE A 32 -5.158 3.280 -0.147 1.00 73.33 H new ATOM 0 HD2 PHE A 32 -8.275 2.001 -2.754 1.00 14.13 H new ATOM 0 HE1 PHE A 32 -4.738 5.217 -1.598 1.00 74.22 H new ATOM 0 HE2 PHE A 32 -7.860 3.938 -4.200 1.00 44.11 H new ATOM 0 HZ PHE A 32 -6.086 5.546 -3.631 1.00 51.30 H new ATOM 469 N SER A 33 -9.480 3.435 0.736 1.00 42.21 N ATOM 470 CA SER A 33 -10.751 4.057 0.400 1.00 32.11 C ATOM 471 C SER A 33 -10.544 5.398 -0.295 1.00 63.13 C ATOM 472 O SER A 33 -9.892 6.301 0.237 1.00 42.55 O ATOM 473 CB SER A 33 -11.594 4.229 1.667 1.00 52.42 C ATOM 474 OG SER A 33 -10.841 4.848 2.698 1.00 13.34 O ATOM 0 H SER A 33 -8.843 4.032 1.263 1.00 42.21 H new ATOM 0 HA SER A 33 -11.281 3.406 -0.295 1.00 32.11 H new ATOM 0 HB2 SER A 33 -12.475 4.831 1.443 1.00 52.42 H new ATOM 0 HB3 SER A 33 -11.950 3.256 2.006 1.00 52.42 H new ATOM 0 HG SER A 33 -10.332 5.598 2.326 1.00 13.34 H new ATOM 480 N ARG A 34 -11.089 5.517 -1.493 1.00 63.11 N ATOM 481 CA ARG A 34 -10.998 6.748 -2.261 1.00 61.11 C ATOM 482 C ARG A 34 -12.306 7.015 -2.987 1.00 43.30 C ATOM 483 O ARG A 34 -12.977 6.086 -3.429 1.00 44.21 O ATOM 484 CB ARG A 34 -9.846 6.671 -3.260 1.00 53.44 C ATOM 485 CG ARG A 34 -8.511 7.158 -2.709 1.00 61.42 C ATOM 486 CD ARG A 34 -8.429 8.680 -2.666 1.00 74.44 C ATOM 487 NE ARG A 34 -9.397 9.275 -1.745 1.00 20.43 N ATOM 488 CZ ARG A 34 -10.194 10.296 -2.061 1.00 35.35 C ATOM 489 NH1 ARG A 34 -10.162 10.822 -3.281 1.00 21.13 N ATOM 490 NH2 ARG A 34 -11.033 10.782 -1.158 1.00 14.01 N ATOM 0 H ARG A 34 -11.604 4.770 -1.959 1.00 63.11 H new ATOM 0 HA ARG A 34 -10.805 7.571 -1.572 1.00 61.11 H new ATOM 0 HB2 ARG A 34 -9.735 5.639 -3.592 1.00 53.44 H new ATOM 0 HB3 ARG A 34 -10.102 7.262 -4.139 1.00 53.44 H new ATOM 0 HG2 ARG A 34 -8.367 6.759 -1.705 1.00 61.42 H new ATOM 0 HG3 ARG A 34 -7.701 6.769 -3.326 1.00 61.42 H new ATOM 0 HD2 ARG A 34 -7.423 8.977 -2.370 1.00 74.44 H new ATOM 0 HD3 ARG A 34 -8.596 9.077 -3.667 1.00 74.44 H new ATOM 0 HE ARG A 34 -9.466 8.886 -0.805 1.00 20.43 H new ATOM 0 HH11 ARG A 34 -9.525 10.445 -3.983 1.00 21.13 H new ATOM 0 HH12 ARG A 34 -10.775 11.603 -3.516 1.00 21.13 H new ATOM 0 HH21 ARG A 34 -11.068 10.375 -0.223 1.00 14.01 H new ATOM 0 HH22 ARG A 34 -11.644 11.563 -1.397 1.00 14.01 H new ATOM 504 N PHE A 35 -12.664 8.281 -3.101 1.00 33.55 N ATOM 505 CA PHE A 35 -13.913 8.663 -3.736 1.00 51.35 C ATOM 506 C PHE A 35 -13.645 9.229 -5.124 1.00 4.23 C ATOM 507 O PHE A 35 -12.797 10.105 -5.295 1.00 5.24 O ATOM 508 CB PHE A 35 -14.658 9.690 -2.879 1.00 72.41 C ATOM 509 CG PHE A 35 -14.888 9.248 -1.462 1.00 55.20 C ATOM 510 CD1 PHE A 35 -15.957 8.427 -1.142 1.00 72.42 C ATOM 511 CD2 PHE A 35 -14.032 9.652 -0.450 1.00 54.44 C ATOM 512 CE1 PHE A 35 -16.169 8.020 0.160 1.00 33.23 C ATOM 513 CE2 PHE A 35 -14.238 9.248 0.855 1.00 11.11 C ATOM 514 CZ PHE A 35 -15.308 8.431 1.159 1.00 54.12 C ATOM 0 H PHE A 35 -12.106 9.064 -2.761 1.00 33.55 H new ATOM 0 HA PHE A 35 -14.539 7.776 -3.833 1.00 51.35 H new ATOM 0 HB2 PHE A 35 -14.092 10.621 -2.871 1.00 72.41 H new ATOM 0 HB3 PHE A 35 -15.621 9.906 -3.343 1.00 72.41 H new ATOM 0 HD1 PHE A 35 -16.632 8.102 -1.920 1.00 72.42 H new ATOM 0 HD2 PHE A 35 -13.193 10.291 -0.684 1.00 54.44 H new ATOM 0 HE1 PHE A 35 -17.007 7.381 0.397 1.00 33.23 H new ATOM 0 HE2 PHE A 35 -13.564 9.570 1.635 1.00 11.11 H new ATOM 0 HZ PHE A 35 -15.472 8.113 2.178 1.00 54.12 H new ATOM 524 N PHE A 36 -14.371 8.717 -6.104 1.00 32.40 N ATOM 525 CA PHE A 36 -14.200 9.124 -7.492 1.00 33.33 C ATOM 526 C PHE A 36 -15.539 9.561 -8.068 1.00 51.24 C ATOM 527 O PHE A 36 -16.524 9.632 -7.342 1.00 25.34 O ATOM 528 CB PHE A 36 -13.621 7.972 -8.316 1.00 54.02 C ATOM 529 CG PHE A 36 -12.279 7.509 -7.837 1.00 30.35 C ATOM 530 CD1 PHE A 36 -11.139 8.246 -8.116 1.00 21.35 C ATOM 531 CD2 PHE A 36 -12.158 6.344 -7.099 1.00 34.14 C ATOM 532 CE1 PHE A 36 -9.902 7.827 -7.669 1.00 44.43 C ATOM 533 CE2 PHE A 36 -10.924 5.920 -6.649 1.00 75.42 C ATOM 534 CZ PHE A 36 -9.795 6.663 -6.933 1.00 52.25 C ATOM 0 H PHE A 36 -15.093 8.010 -5.963 1.00 32.40 H new ATOM 0 HA PHE A 36 -13.504 9.962 -7.532 1.00 33.33 H new ATOM 0 HB2 PHE A 36 -14.316 7.133 -8.291 1.00 54.02 H new ATOM 0 HB3 PHE A 36 -13.538 8.286 -9.356 1.00 54.02 H new ATOM 0 HD1 PHE A 36 -11.219 9.158 -8.689 1.00 21.35 H new ATOM 0 HD2 PHE A 36 -13.038 5.761 -6.873 1.00 34.14 H new ATOM 0 HE1 PHE A 36 -9.020 8.408 -7.894 1.00 44.43 H new ATOM 0 HE2 PHE A 36 -10.841 5.009 -6.076 1.00 75.42 H new ATOM 0 HZ PHE A 36 -8.829 6.334 -6.580 1.00 52.25 H new ATOM 544 N ALA A 37 -15.569 9.858 -9.360 1.00 24.05 N ATOM 545 CA ALA A 37 -16.799 10.283 -10.023 1.00 20.22 C ATOM 546 C ALA A 37 -17.737 9.106 -10.288 1.00 32.25 C ATOM 547 O ALA A 37 -18.785 8.978 -9.654 1.00 10.11 O ATOM 548 CB ALA A 37 -16.476 11.004 -11.326 1.00 51.12 C ATOM 0 H ALA A 37 -14.755 9.813 -9.973 1.00 24.05 H new ATOM 0 HA ALA A 37 -17.314 10.970 -9.351 1.00 20.22 H new ATOM 0 HB1 ALA A 37 -17.402 11.315 -11.809 1.00 51.12 H new ATOM 0 HB2 ALA A 37 -15.865 11.881 -11.114 1.00 51.12 H new ATOM 0 HB3 ALA A 37 -15.929 10.332 -11.988 1.00 51.12 H new ATOM 554 N THR A 38 -17.360 8.245 -11.218 1.00 24.13 N ATOM 555 CA THR A 38 -18.221 7.147 -11.632 1.00 60.25 C ATOM 556 C THR A 38 -17.651 5.806 -11.187 1.00 61.41 C ATOM 557 O THR A 38 -16.489 5.716 -10.788 1.00 44.50 O ATOM 558 CB THR A 38 -18.393 7.131 -13.164 1.00 21.01 C ATOM 559 OG1 THR A 38 -17.109 7.008 -13.792 1.00 13.33 O ATOM 560 CG2 THR A 38 -19.084 8.395 -13.651 1.00 22.42 C ATOM 0 H THR A 38 -16.463 8.284 -11.702 1.00 24.13 H new ATOM 0 HA THR A 38 -19.191 7.302 -11.158 1.00 60.25 H new ATOM 0 HB THR A 38 -19.016 6.277 -13.430 1.00 21.01 H new ATOM 0 HG1 THR A 38 -17.221 6.996 -14.766 1.00 13.33 H new ATOM 0 HG21 THR A 38 -19.192 8.356 -14.735 1.00 22.42 H new ATOM 0 HG22 THR A 38 -20.069 8.471 -13.191 1.00 22.42 H new ATOM 0 HG23 THR A 38 -18.487 9.265 -13.377 1.00 22.42 H new ATOM 568 N ARG A 39 -18.476 4.763 -11.265 1.00 73.52 N ATOM 569 CA ARG A 39 -18.035 3.405 -10.969 1.00 0.21 C ATOM 570 C ARG A 39 -16.856 3.019 -11.868 1.00 34.11 C ATOM 571 O ARG A 39 -16.006 2.209 -11.493 1.00 73.20 O ATOM 572 CB ARG A 39 -19.190 2.420 -11.175 1.00 62.30 C ATOM 573 CG ARG A 39 -19.623 2.296 -12.629 1.00 3.23 C ATOM 574 CD ARG A 39 -20.671 1.219 -12.819 1.00 55.13 C ATOM 575 NE ARG A 39 -21.966 1.589 -12.248 1.00 52.24 N ATOM 576 CZ ARG A 39 -23.121 1.069 -12.658 1.00 32.14 C ATOM 577 NH1 ARG A 39 -23.131 0.162 -13.628 1.00 65.32 N ATOM 578 NH2 ARG A 39 -24.262 1.448 -12.098 1.00 11.14 N ATOM 0 H ARG A 39 -19.458 4.836 -11.532 1.00 73.52 H new ATOM 0 HA ARG A 39 -17.712 3.364 -9.929 1.00 0.21 H new ATOM 0 HB2 ARG A 39 -18.891 1.438 -10.807 1.00 62.30 H new ATOM 0 HB3 ARG A 39 -20.042 2.739 -10.575 1.00 62.30 H new ATOM 0 HG2 ARG A 39 -20.019 3.252 -12.972 1.00 3.23 H new ATOM 0 HG3 ARG A 39 -18.755 2.070 -13.248 1.00 3.23 H new ATOM 0 HD2 ARG A 39 -20.791 1.018 -13.883 1.00 55.13 H new ATOM 0 HD3 ARG A 39 -20.325 0.294 -12.357 1.00 55.13 H new ATOM 0 HE ARG A 39 -21.985 2.280 -11.498 1.00 52.24 H new ATOM 0 HH11 ARG A 39 -22.255 -0.135 -14.057 1.00 65.32 H new ATOM 0 HH12 ARG A 39 -24.015 -0.238 -13.943 1.00 65.32 H new ATOM 0 HH21 ARG A 39 -24.257 2.141 -11.350 1.00 11.14 H new ATOM 0 HH22 ARG A 39 -25.144 1.047 -12.416 1.00 11.14 H new ATOM 592 N GLU A 40 -16.813 3.622 -13.050 1.00 22.40 N ATOM 593 CA GLU A 40 -15.756 3.370 -14.018 1.00 2.11 C ATOM 594 C GLU A 40 -14.436 3.917 -13.517 1.00 2.44 C ATOM 595 O GLU A 40 -13.395 3.272 -13.640 1.00 41.52 O ATOM 596 CB GLU A 40 -16.112 4.024 -15.341 1.00 31.42 C ATOM 597 CG GLU A 40 -17.439 3.553 -15.900 1.00 33.41 C ATOM 598 CD GLU A 40 -17.804 4.243 -17.195 1.00 54.43 C ATOM 599 OE1 GLU A 40 -17.346 3.790 -18.265 1.00 24.45 O ATOM 600 OE2 GLU A 40 -18.544 5.251 -17.146 1.00 61.44 O ATOM 0 H GLU A 40 -17.510 4.298 -13.363 1.00 22.40 H new ATOM 0 HA GLU A 40 -15.657 2.293 -14.157 1.00 2.11 H new ATOM 0 HB2 GLU A 40 -16.144 5.105 -15.208 1.00 31.42 H new ATOM 0 HB3 GLU A 40 -15.325 3.816 -16.066 1.00 31.42 H new ATOM 0 HG2 GLU A 40 -17.397 2.476 -16.066 1.00 33.41 H new ATOM 0 HG3 GLU A 40 -18.223 3.732 -15.164 1.00 33.41 H new ATOM 607 N GLU A 41 -14.496 5.114 -12.950 1.00 21.54 N ATOM 608 CA GLU A 41 -13.333 5.745 -12.330 1.00 0.04 C ATOM 609 C GLU A 41 -12.730 4.823 -11.271 1.00 30.24 C ATOM 610 O GLU A 41 -11.516 4.785 -11.072 1.00 22.52 O ATOM 611 CB GLU A 41 -13.739 7.070 -11.681 1.00 1.12 C ATOM 612 CG GLU A 41 -14.311 8.091 -12.651 1.00 11.33 C ATOM 613 CD GLU A 41 -13.269 8.660 -13.584 1.00 25.01 C ATOM 614 OE1 GLU A 41 -13.040 8.064 -14.655 1.00 71.04 O ATOM 615 OE2 GLU A 41 -12.679 9.712 -13.251 1.00 64.12 O ATOM 0 H GLU A 41 -15.347 5.675 -12.905 1.00 21.54 H new ATOM 0 HA GLU A 41 -12.589 5.934 -13.104 1.00 0.04 H new ATOM 0 HB2 GLU A 41 -14.478 6.870 -10.905 1.00 1.12 H new ATOM 0 HB3 GLU A 41 -12.868 7.502 -11.188 1.00 1.12 H new ATOM 0 HG2 GLU A 41 -15.102 7.624 -13.238 1.00 11.33 H new ATOM 0 HG3 GLU A 41 -14.770 8.903 -12.087 1.00 11.33 H new ATOM 622 N ALA A 42 -13.599 4.065 -10.615 1.00 54.41 N ATOM 623 CA ALA A 42 -13.183 3.155 -9.557 1.00 12.35 C ATOM 624 C ALA A 42 -12.505 1.924 -10.149 1.00 43.25 C ATOM 625 O ALA A 42 -11.417 1.534 -9.722 1.00 3.20 O ATOM 626 CB ALA A 42 -14.380 2.760 -8.708 1.00 44.22 C ATOM 0 H ALA A 42 -14.602 4.063 -10.799 1.00 54.41 H new ATOM 0 HA ALA A 42 -12.461 3.663 -8.918 1.00 12.35 H new ATOM 0 HB1 ALA A 42 -14.058 2.079 -7.920 1.00 44.22 H new ATOM 0 HB2 ALA A 42 -14.819 3.652 -8.261 1.00 44.22 H new ATOM 0 HB3 ALA A 42 -15.123 2.265 -9.334 1.00 44.22 H new ATOM 632 N GLU A 43 -13.152 1.331 -11.146 1.00 71.21 N ATOM 633 CA GLU A 43 -12.592 0.192 -11.866 1.00 2.22 C ATOM 634 C GLU A 43 -11.230 0.544 -12.456 1.00 1.24 C ATOM 635 O GLU A 43 -10.279 -0.233 -12.362 1.00 4.50 O ATOM 636 CB GLU A 43 -13.542 -0.239 -12.986 1.00 20.34 C ATOM 637 CG GLU A 43 -14.768 -0.989 -12.496 1.00 41.41 C ATOM 638 CD GLU A 43 -14.457 -2.420 -12.113 1.00 0.22 C ATOM 639 OE1 GLU A 43 -14.009 -2.661 -10.974 1.00 64.40 O ATOM 640 OE2 GLU A 43 -14.661 -3.318 -12.953 1.00 10.00 O ATOM 0 H GLU A 43 -14.072 1.623 -11.476 1.00 71.21 H new ATOM 0 HA GLU A 43 -12.466 -0.630 -11.162 1.00 2.22 H new ATOM 0 HB2 GLU A 43 -13.864 0.645 -13.536 1.00 20.34 H new ATOM 0 HB3 GLU A 43 -12.998 -0.871 -13.688 1.00 20.34 H new ATOM 0 HG2 GLU A 43 -15.188 -0.469 -11.635 1.00 41.41 H new ATOM 0 HG3 GLU A 43 -15.530 -0.982 -13.276 1.00 41.41 H new ATOM 647 N SER A 44 -11.145 1.737 -13.034 1.00 3.12 N ATOM 648 CA SER A 44 -9.922 2.201 -13.681 1.00 51.22 C ATOM 649 C SER A 44 -8.789 2.379 -12.677 1.00 74.14 C ATOM 650 O SER A 44 -7.620 2.195 -13.017 1.00 42.23 O ATOM 651 CB SER A 44 -10.178 3.525 -14.402 1.00 50.24 C ATOM 652 OG SER A 44 -11.218 3.398 -15.357 1.00 12.12 O ATOM 0 H SER A 44 -11.915 2.405 -13.068 1.00 3.12 H new ATOM 0 HA SER A 44 -9.622 1.441 -14.402 1.00 51.22 H new ATOM 0 HB2 SER A 44 -10.441 4.293 -13.675 1.00 50.24 H new ATOM 0 HB3 SER A 44 -9.265 3.855 -14.897 1.00 50.24 H new ATOM 0 HG SER A 44 -12.080 3.338 -14.895 1.00 12.12 H new ATOM 658 N PHE A 45 -9.121 2.725 -11.440 1.00 13.03 N ATOM 659 CA PHE A 45 -8.095 2.965 -10.446 1.00 25.25 C ATOM 660 C PHE A 45 -7.590 1.639 -9.900 1.00 31.15 C ATOM 661 O PHE A 45 -6.409 1.488 -9.600 1.00 42.21 O ATOM 662 CB PHE A 45 -8.628 3.844 -9.315 1.00 23.44 C ATOM 663 CG PHE A 45 -7.539 4.435 -8.466 1.00 53.02 C ATOM 664 CD1 PHE A 45 -6.859 5.568 -8.887 1.00 21.13 C ATOM 665 CD2 PHE A 45 -7.190 3.861 -7.255 1.00 73.44 C ATOM 666 CE1 PHE A 45 -5.851 6.115 -8.119 1.00 4.33 C ATOM 667 CE2 PHE A 45 -6.182 4.405 -6.481 1.00 75.20 C ATOM 668 CZ PHE A 45 -5.513 5.533 -6.912 1.00 44.34 C ATOM 0 H PHE A 45 -10.078 2.843 -11.109 1.00 13.03 H new ATOM 0 HA PHE A 45 -7.267 3.494 -10.918 1.00 25.25 H new ATOM 0 HB2 PHE A 45 -9.227 4.649 -9.740 1.00 23.44 H new ATOM 0 HB3 PHE A 45 -9.291 3.252 -8.684 1.00 23.44 H new ATOM 0 HD1 PHE A 45 -7.122 6.028 -9.828 1.00 21.13 H new ATOM 0 HD2 PHE A 45 -7.711 2.979 -6.912 1.00 73.44 H new ATOM 0 HE1 PHE A 45 -5.328 6.996 -8.461 1.00 4.33 H new ATOM 0 HE2 PHE A 45 -5.918 3.947 -5.539 1.00 75.20 H new ATOM 0 HZ PHE A 45 -4.727 5.960 -6.307 1.00 44.34 H new ATOM 678 N MET A 46 -8.490 0.670 -9.803 1.00 52.32 N ATOM 679 CA MET A 46 -8.145 -0.652 -9.298 1.00 11.33 C ATOM 680 C MET A 46 -7.210 -1.377 -10.266 1.00 72.14 C ATOM 681 O MET A 46 -6.439 -2.245 -9.864 1.00 3.12 O ATOM 682 CB MET A 46 -9.420 -1.472 -9.065 1.00 13.24 C ATOM 683 CG MET A 46 -9.171 -2.863 -8.500 1.00 21.13 C ATOM 684 SD MET A 46 -8.260 -2.839 -6.944 1.00 71.13 S ATOM 685 CE MET A 46 -9.318 -1.809 -5.933 1.00 73.21 C ATOM 0 H MET A 46 -9.469 0.776 -10.069 1.00 52.32 H new ATOM 0 HA MET A 46 -7.622 -0.536 -8.349 1.00 11.33 H new ATOM 0 HB2 MET A 46 -10.071 -0.926 -8.382 1.00 13.24 H new ATOM 0 HB3 MET A 46 -9.956 -1.566 -10.009 1.00 13.24 H new ATOM 0 HG2 MET A 46 -10.127 -3.364 -8.347 1.00 21.13 H new ATOM 0 HG3 MET A 46 -8.616 -3.452 -9.230 1.00 21.13 H new ATOM 0 HE1 MET A 46 -9.435 -2.263 -4.949 1.00 73.21 H new ATOM 0 HE2 MET A 46 -8.870 -0.821 -5.826 1.00 73.21 H new ATOM 0 HE3 MET A 46 -10.295 -1.714 -6.407 1.00 73.21 H new ATOM 695 N THR A 47 -7.266 -0.995 -11.536 1.00 13.03 N ATOM 696 CA THR A 47 -6.455 -1.623 -12.569 1.00 55.31 C ATOM 697 C THR A 47 -4.959 -1.541 -12.249 1.00 34.55 C ATOM 698 O THR A 47 -4.244 -2.539 -12.344 1.00 5.14 O ATOM 699 CB THR A 47 -6.732 -0.978 -13.939 1.00 22.31 C ATOM 700 OG1 THR A 47 -8.139 -1.020 -14.210 1.00 45.34 O ATOM 701 CG2 THR A 47 -5.977 -1.698 -15.045 1.00 13.24 C ATOM 0 H THR A 47 -7.870 -0.247 -11.876 1.00 13.03 H new ATOM 0 HA THR A 47 -6.734 -2.676 -12.602 1.00 55.31 H new ATOM 0 HB THR A 47 -6.390 0.056 -13.909 1.00 22.31 H new ATOM 0 HG1 THR A 47 -8.624 -0.560 -13.493 1.00 45.34 H new ATOM 0 HG21 THR A 47 -6.191 -1.221 -16.002 1.00 13.24 H new ATOM 0 HG22 THR A 47 -4.906 -1.649 -14.847 1.00 13.24 H new ATOM 0 HG23 THR A 47 -6.292 -2.741 -15.081 1.00 13.24 H new ATOM 709 N LYS A 48 -4.490 -0.366 -11.850 1.00 62.41 N ATOM 710 CA LYS A 48 -3.076 -0.199 -11.518 1.00 15.34 C ATOM 711 C LYS A 48 -2.729 -0.917 -10.217 1.00 21.52 C ATOM 712 O LYS A 48 -1.591 -1.343 -10.017 1.00 70.53 O ATOM 713 CB LYS A 48 -2.682 1.276 -11.452 1.00 33.23 C ATOM 714 CG LYS A 48 -3.574 2.129 -10.575 1.00 54.14 C ATOM 715 CD LYS A 48 -3.116 3.574 -10.583 1.00 11.21 C ATOM 716 CE LYS A 48 -1.825 3.756 -9.798 1.00 24.23 C ATOM 717 NZ LYS A 48 -1.169 5.059 -10.091 1.00 33.15 N ATOM 0 H LYS A 48 -5.056 0.476 -11.748 1.00 62.41 H new ATOM 0 HA LYS A 48 -2.497 -0.656 -12.321 1.00 15.34 H new ATOM 0 HB2 LYS A 48 -1.658 1.349 -11.086 1.00 33.23 H new ATOM 0 HB3 LYS A 48 -2.689 1.686 -12.462 1.00 33.23 H new ATOM 0 HG2 LYS A 48 -4.604 2.067 -10.927 1.00 54.14 H new ATOM 0 HG3 LYS A 48 -3.563 1.745 -9.555 1.00 54.14 H new ATOM 0 HD2 LYS A 48 -2.967 3.904 -11.611 1.00 11.21 H new ATOM 0 HD3 LYS A 48 -3.895 4.206 -10.156 1.00 11.21 H new ATOM 0 HE2 LYS A 48 -2.038 3.690 -8.731 1.00 24.23 H new ATOM 0 HE3 LYS A 48 -1.139 2.944 -10.037 1.00 24.23 H new ATOM 0 HZ1 LYS A 48 -0.294 5.140 -9.535 1.00 33.15 H new ATOM 0 HZ2 LYS A 48 -0.941 5.113 -11.104 1.00 33.15 H new ATOM 0 HZ3 LYS A 48 -1.813 5.836 -9.839 1.00 33.15 H new ATOM 731 N LEU A 49 -3.715 -1.057 -9.338 1.00 34.52 N ATOM 732 CA LEU A 49 -3.529 -1.785 -8.084 1.00 44.31 C ATOM 733 C LEU A 49 -3.273 -3.264 -8.355 1.00 42.22 C ATOM 734 O LEU A 49 -2.578 -3.929 -7.590 1.00 73.41 O ATOM 735 CB LEU A 49 -4.746 -1.621 -7.162 1.00 53.21 C ATOM 736 CG LEU A 49 -4.758 -0.359 -6.284 1.00 11.33 C ATOM 737 CD1 LEU A 49 -3.553 -0.336 -5.364 1.00 60.21 C ATOM 738 CD2 LEU A 49 -4.793 0.904 -7.127 1.00 65.54 C ATOM 0 H LEU A 49 -4.652 -0.677 -9.469 1.00 34.52 H new ATOM 0 HA LEU A 49 -2.659 -1.363 -7.581 1.00 44.31 H new ATOM 0 HB2 LEU A 49 -5.646 -1.621 -7.777 1.00 53.21 H new ATOM 0 HB3 LEU A 49 -4.805 -2.493 -6.511 1.00 53.21 H new ATOM 0 HG LEU A 49 -5.665 -0.389 -5.680 1.00 11.33 H new ATOM 0 HD11 LEU A 49 -3.580 0.565 -4.751 1.00 60.21 H new ATOM 0 HD12 LEU A 49 -3.571 -1.214 -4.719 1.00 60.21 H new ATOM 0 HD13 LEU A 49 -2.640 -0.342 -5.960 1.00 60.21 H new ATOM 0 HD21 LEU A 49 -4.801 1.777 -6.474 1.00 65.54 H new ATOM 0 HD22 LEU A 49 -3.912 0.938 -7.768 1.00 65.54 H new ATOM 0 HD23 LEU A 49 -5.691 0.905 -7.744 1.00 65.54 H new ATOM 750 N LYS A 50 -3.832 -3.769 -9.452 1.00 3.20 N ATOM 751 CA LYS A 50 -3.599 -5.149 -9.867 1.00 42.13 C ATOM 752 C LYS A 50 -2.115 -5.400 -10.099 1.00 4.53 C ATOM 753 O LYS A 50 -1.554 -6.374 -9.596 1.00 15.41 O ATOM 754 CB LYS A 50 -4.371 -5.473 -11.150 1.00 33.43 C ATOM 755 CG LYS A 50 -5.718 -6.144 -10.924 1.00 3.54 C ATOM 756 CD LYS A 50 -6.651 -5.283 -10.099 1.00 65.22 C ATOM 757 CE LYS A 50 -8.049 -5.875 -10.033 1.00 65.03 C ATOM 758 NZ LYS A 50 -8.685 -5.944 -11.375 1.00 43.24 N ATOM 0 H LYS A 50 -4.450 -3.242 -10.070 1.00 3.20 H new ATOM 0 HA LYS A 50 -3.953 -5.796 -9.064 1.00 42.13 H new ATOM 0 HB2 LYS A 50 -4.528 -4.550 -11.707 1.00 33.43 H new ATOM 0 HB3 LYS A 50 -3.757 -6.121 -11.775 1.00 33.43 H new ATOM 0 HG2 LYS A 50 -6.181 -6.360 -11.887 1.00 3.54 H new ATOM 0 HG3 LYS A 50 -5.567 -7.099 -10.421 1.00 3.54 H new ATOM 0 HD2 LYS A 50 -6.252 -5.177 -9.090 1.00 65.22 H new ATOM 0 HD3 LYS A 50 -6.699 -4.283 -10.529 1.00 65.22 H new ATOM 0 HE2 LYS A 50 -8.000 -6.875 -9.603 1.00 65.03 H new ATOM 0 HE3 LYS A 50 -8.668 -5.272 -9.368 1.00 65.03 H new ATOM 0 HZ1 LYS A 50 -9.713 -6.057 -11.267 1.00 43.24 H new ATOM 0 HZ2 LYS A 50 -8.486 -5.068 -11.899 1.00 43.24 H new ATOM 0 HZ3 LYS A 50 -8.301 -6.756 -11.900 1.00 43.24 H new ATOM 772 N GLU A 51 -1.488 -4.513 -10.864 1.00 63.14 N ATOM 773 CA GLU A 51 -0.067 -4.628 -11.173 1.00 60.30 C ATOM 774 C GLU A 51 0.759 -4.575 -9.897 1.00 62.44 C ATOM 775 O GLU A 51 1.667 -5.381 -9.689 1.00 71.44 O ATOM 776 CB GLU A 51 0.365 -3.499 -12.105 1.00 3.32 C ATOM 777 CG GLU A 51 -0.440 -3.422 -13.388 1.00 24.45 C ATOM 778 CD GLU A 51 0.020 -2.298 -14.291 1.00 24.04 C ATOM 779 OE1 GLU A 51 1.014 -2.491 -15.022 1.00 30.33 O ATOM 780 OE2 GLU A 51 -0.606 -1.219 -14.274 1.00 62.01 O ATOM 0 H GLU A 51 -1.944 -3.703 -11.283 1.00 63.14 H new ATOM 0 HA GLU A 51 0.099 -5.585 -11.667 1.00 60.30 H new ATOM 0 HB2 GLU A 51 0.279 -2.550 -11.575 1.00 3.32 H new ATOM 0 HB3 GLU A 51 1.418 -3.630 -12.355 1.00 3.32 H new ATOM 0 HG2 GLU A 51 -0.360 -4.369 -13.922 1.00 24.45 H new ATOM 0 HG3 GLU A 51 -1.493 -3.281 -13.145 1.00 24.45 H new ATOM 787 N LEU A 52 0.416 -3.627 -9.040 1.00 1.53 N ATOM 788 CA LEU A 52 1.135 -3.419 -7.791 1.00 54.43 C ATOM 789 C LEU A 52 0.985 -4.618 -6.858 1.00 75.13 C ATOM 790 O LEU A 52 1.970 -5.111 -6.314 1.00 21.24 O ATOM 791 CB LEU A 52 0.636 -2.145 -7.105 1.00 24.33 C ATOM 792 CG LEU A 52 0.859 -0.856 -7.900 1.00 32.44 C ATOM 793 CD1 LEU A 52 0.240 0.329 -7.182 1.00 4.03 C ATOM 794 CD2 LEU A 52 2.343 -0.621 -8.133 1.00 22.12 C ATOM 0 H LEU A 52 -0.362 -2.984 -9.187 1.00 1.53 H new ATOM 0 HA LEU A 52 2.194 -3.308 -8.024 1.00 54.43 H new ATOM 0 HB2 LEU A 52 -0.430 -2.251 -6.905 1.00 24.33 H new ATOM 0 HB3 LEU A 52 1.134 -2.050 -6.140 1.00 24.33 H new ATOM 0 HG LEU A 52 0.371 -0.964 -8.869 1.00 32.44 H new ATOM 0 HD11 LEU A 52 0.409 1.236 -7.763 1.00 4.03 H new ATOM 0 HD12 LEU A 52 -0.832 0.166 -7.068 1.00 4.03 H new ATOM 0 HD13 LEU A 52 0.697 0.438 -6.198 1.00 4.03 H new ATOM 0 HD21 LEU A 52 2.481 0.300 -8.700 1.00 22.12 H new ATOM 0 HD22 LEU A 52 2.853 -0.536 -7.173 1.00 22.12 H new ATOM 0 HD23 LEU A 52 2.760 -1.458 -8.693 1.00 22.12 H new ATOM 806 N ALA A 53 -0.243 -5.097 -6.695 1.00 2.33 N ATOM 807 CA ALA A 53 -0.517 -6.212 -5.792 1.00 61.33 C ATOM 808 C ALA A 53 0.141 -7.498 -6.278 1.00 24.14 C ATOM 809 O ALA A 53 0.593 -8.316 -5.476 1.00 12.53 O ATOM 810 CB ALA A 53 -2.018 -6.408 -5.636 1.00 50.32 C ATOM 0 H ALA A 53 -1.065 -4.732 -7.176 1.00 2.33 H new ATOM 0 HA ALA A 53 -0.089 -5.968 -4.820 1.00 61.33 H new ATOM 0 HB1 ALA A 53 -2.208 -7.242 -4.960 1.00 50.32 H new ATOM 0 HB2 ALA A 53 -2.463 -5.501 -5.227 1.00 50.32 H new ATOM 0 HB3 ALA A 53 -2.460 -6.621 -6.609 1.00 50.32 H new ATOM 816 N ALA A 54 0.204 -7.666 -7.591 1.00 15.33 N ATOM 817 CA ALA A 54 0.807 -8.854 -8.180 1.00 60.11 C ATOM 818 C ALA A 54 2.314 -8.880 -7.945 1.00 50.12 C ATOM 819 O ALA A 54 2.909 -9.945 -7.780 1.00 43.21 O ATOM 820 CB ALA A 54 0.499 -8.921 -9.666 1.00 64.53 C ATOM 0 H ALA A 54 -0.155 -6.994 -8.270 1.00 15.33 H new ATOM 0 HA ALA A 54 0.376 -9.729 -7.693 1.00 60.11 H new ATOM 0 HB1 ALA A 54 0.956 -9.814 -10.092 1.00 64.53 H new ATOM 0 HB2 ALA A 54 -0.580 -8.961 -9.812 1.00 64.53 H new ATOM 0 HB3 ALA A 54 0.900 -8.037 -10.161 1.00 64.53 H new ATOM 826 N ALA A 55 2.925 -7.703 -7.925 1.00 30.13 N ATOM 827 CA ALA A 55 4.361 -7.591 -7.715 1.00 41.24 C ATOM 828 C ALA A 55 4.704 -7.579 -6.229 1.00 64.30 C ATOM 829 O ALA A 55 5.768 -8.048 -5.825 1.00 11.12 O ATOM 830 CB ALA A 55 4.896 -6.337 -8.388 1.00 33.42 C ATOM 0 H ALA A 55 2.447 -6.811 -8.052 1.00 30.13 H new ATOM 0 HA ALA A 55 4.835 -8.465 -8.163 1.00 41.24 H new ATOM 0 HB1 ALA A 55 5.971 -6.266 -8.223 1.00 33.42 H new ATOM 0 HB2 ALA A 55 4.696 -6.385 -9.458 1.00 33.42 H new ATOM 0 HB3 ALA A 55 4.405 -5.460 -7.966 1.00 33.42 H new ATOM 836 N ALA A 56 3.793 -7.051 -5.419 1.00 30.11 N ATOM 837 CA ALA A 56 4.035 -6.899 -3.988 1.00 13.12 C ATOM 838 C ALA A 56 3.770 -8.191 -3.221 1.00 32.14 C ATOM 839 O ALA A 56 3.968 -8.248 -2.010 1.00 43.33 O ATOM 840 CB ALA A 56 3.185 -5.769 -3.425 1.00 74.31 C ATOM 0 H ALA A 56 2.879 -6.721 -5.729 1.00 30.11 H new ATOM 0 HA ALA A 56 5.090 -6.654 -3.861 1.00 13.12 H new ATOM 0 HB1 ALA A 56 3.376 -5.667 -2.357 1.00 74.31 H new ATOM 0 HB2 ALA A 56 3.439 -4.837 -3.929 1.00 74.31 H new ATOM 0 HB3 ALA A 56 2.130 -5.993 -3.585 1.00 74.31 H new ATOM 846 N SER A 57 3.322 -9.223 -3.913 1.00 21.13 N ATOM 847 CA SER A 57 3.073 -10.500 -3.270 1.00 53.43 C ATOM 848 C SER A 57 4.080 -11.547 -3.746 1.00 54.43 C ATOM 849 O SER A 57 3.986 -12.073 -4.858 1.00 64.23 O ATOM 850 CB SER A 57 1.627 -10.946 -3.518 1.00 74.40 C ATOM 851 OG SER A 57 1.303 -10.896 -4.899 1.00 24.31 O ATOM 0 H SER A 57 3.124 -9.203 -4.913 1.00 21.13 H new ATOM 0 HA SER A 57 3.205 -10.387 -2.194 1.00 53.43 H new ATOM 0 HB2 SER A 57 1.488 -11.961 -3.146 1.00 74.40 H new ATOM 0 HB3 SER A 57 0.945 -10.305 -2.959 1.00 74.40 H new ATOM 0 HG SER A 57 1.026 -9.987 -5.137 1.00 24.31 H new ATOM 857 N SER A 58 5.059 -11.828 -2.899 1.00 61.23 N ATOM 858 CA SER A 58 6.110 -12.775 -3.223 1.00 31.33 C ATOM 859 C SER A 58 5.869 -14.104 -2.513 1.00 43.41 C ATOM 860 O SER A 58 6.587 -15.078 -2.732 1.00 35.41 O ATOM 861 CB SER A 58 7.471 -12.202 -2.830 1.00 21.20 C ATOM 862 OG SER A 58 7.693 -10.949 -3.460 1.00 52.05 O ATOM 0 H SER A 58 5.145 -11.408 -1.974 1.00 61.23 H new ATOM 0 HA SER A 58 6.100 -12.953 -4.298 1.00 31.33 H new ATOM 0 HB2 SER A 58 7.522 -12.084 -1.748 1.00 21.20 H new ATOM 0 HB3 SER A 58 8.259 -12.900 -3.112 1.00 21.20 H new ATOM 0 HG SER A 58 8.569 -10.599 -3.193 1.00 52.05 H new ATOM 868 N ALA A 59 4.864 -14.126 -1.644 1.00 65.21 N ATOM 869 CA ALA A 59 4.453 -15.356 -0.985 1.00 65.15 C ATOM 870 C ALA A 59 4.047 -16.398 -2.024 1.00 53.53 C ATOM 871 O ALA A 59 4.483 -17.550 -1.971 1.00 23.12 O ATOM 872 CB ALA A 59 3.310 -15.078 -0.021 1.00 14.12 C ATOM 0 H ALA A 59 4.320 -13.304 -1.381 1.00 65.21 H new ATOM 0 HA ALA A 59 5.293 -15.751 -0.414 1.00 65.15 H new ATOM 0 HB1 ALA A 59 3.011 -16.006 0.466 1.00 14.12 H new ATOM 0 HB2 ALA A 59 3.636 -14.361 0.733 1.00 14.12 H new ATOM 0 HB3 ALA A 59 2.463 -14.667 -0.570 1.00 14.12 H new ATOM 878 N ASP A 60 3.222 -15.970 -2.975 1.00 53.24 N ATOM 879 CA ASP A 60 2.816 -16.801 -4.104 1.00 12.31 C ATOM 880 C ASP A 60 1.930 -15.997 -5.044 1.00 61.42 C ATOM 881 O ASP A 60 2.420 -15.354 -5.973 1.00 30.12 O ATOM 882 CB ASP A 60 2.078 -18.059 -3.621 1.00 34.30 C ATOM 883 CG ASP A 60 1.545 -18.905 -4.759 1.00 23.23 C ATOM 884 OD1 ASP A 60 2.354 -19.418 -5.555 1.00 72.33 O ATOM 885 OD2 ASP A 60 0.310 -19.065 -4.851 1.00 2.54 O ATOM 0 H ASP A 60 2.815 -15.035 -2.984 1.00 53.24 H new ATOM 0 HA ASP A 60 3.710 -17.119 -4.640 1.00 12.31 H new ATOM 0 HB2 ASP A 60 2.755 -18.660 -3.014 1.00 34.30 H new ATOM 0 HB3 ASP A 60 1.250 -17.763 -2.977 1.00 34.30 H new ATOM 890 N GLU A 61 0.639 -16.009 -4.753 1.00 5.04 N ATOM 891 CA GLU A 61 -0.361 -15.239 -5.486 1.00 73.12 C ATOM 892 C GLU A 61 -1.612 -15.120 -4.633 1.00 33.03 C ATOM 893 O GLU A 61 -2.643 -14.611 -5.076 1.00 24.54 O ATOM 894 CB GLU A 61 -0.716 -15.910 -6.818 1.00 70.31 C ATOM 895 CG GLU A 61 0.251 -15.594 -7.946 1.00 51.12 C ATOM 896 CD GLU A 61 -0.086 -16.331 -9.220 1.00 62.53 C ATOM 897 OE1 GLU A 61 0.423 -17.454 -9.416 1.00 64.12 O ATOM 898 OE2 GLU A 61 -0.851 -15.784 -10.043 1.00 43.44 O ATOM 0 H GLU A 61 0.248 -16.561 -3.990 1.00 5.04 H new ATOM 0 HA GLU A 61 0.050 -14.253 -5.703 1.00 73.12 H new ATOM 0 HB2 GLU A 61 -0.748 -16.990 -6.672 1.00 70.31 H new ATOM 0 HB3 GLU A 61 -1.718 -15.599 -7.114 1.00 70.31 H new ATOM 0 HG2 GLU A 61 0.242 -14.521 -8.138 1.00 51.12 H new ATOM 0 HG3 GLU A 61 1.263 -15.854 -7.636 1.00 51.12 H new ATOM 905 N GLY A 62 -1.495 -15.579 -3.394 1.00 60.24 N ATOM 906 CA GLY A 62 -2.634 -15.637 -2.506 1.00 72.55 C ATOM 907 C GLY A 62 -2.933 -14.307 -1.854 1.00 14.10 C ATOM 908 O GLY A 62 -2.887 -14.178 -0.630 1.00 72.12 O ATOM 0 H GLY A 62 -0.622 -15.915 -2.987 1.00 60.24 H new ATOM 0 HA2 GLY A 62 -3.509 -15.968 -3.065 1.00 72.55 H new ATOM 0 HA3 GLY A 62 -2.449 -16.383 -1.733 1.00 72.55 H new ATOM 912 N ALA A 63 -3.220 -13.312 -2.675 1.00 75.21 N ATOM 913 CA ALA A 63 -3.634 -12.017 -2.181 1.00 43.25 C ATOM 914 C ALA A 63 -5.146 -11.915 -2.264 1.00 34.44 C ATOM 915 O ALA A 63 -5.732 -12.108 -3.329 1.00 35.44 O ATOM 916 CB ALA A 63 -2.969 -10.908 -2.986 1.00 72.54 C ATOM 0 H ALA A 63 -3.173 -13.380 -3.692 1.00 75.21 H new ATOM 0 HA ALA A 63 -3.327 -11.905 -1.141 1.00 43.25 H new ATOM 0 HB1 ALA A 63 -3.289 -9.939 -2.604 1.00 72.54 H new ATOM 0 HB2 ALA A 63 -1.886 -10.993 -2.897 1.00 72.54 H new ATOM 0 HB3 ALA A 63 -3.255 -10.997 -4.034 1.00 72.54 H new ATOM 922 N SER A 64 -5.780 -11.643 -1.143 1.00 10.43 N ATOM 923 CA SER A 64 -7.223 -11.545 -1.105 1.00 12.50 C ATOM 924 C SER A 64 -7.662 -10.095 -1.168 1.00 14.34 C ATOM 925 O SER A 64 -7.602 -9.374 -0.173 1.00 71.43 O ATOM 926 CB SER A 64 -7.765 -12.219 0.154 1.00 32.45 C ATOM 927 OG SER A 64 -7.481 -13.609 0.138 1.00 4.24 O ATOM 0 H SER A 64 -5.319 -11.486 -0.247 1.00 10.43 H new ATOM 0 HA SER A 64 -7.629 -12.060 -1.976 1.00 12.50 H new ATOM 0 HB2 SER A 64 -7.320 -11.762 1.038 1.00 32.45 H new ATOM 0 HB3 SER A 64 -8.842 -12.063 0.222 1.00 32.45 H new ATOM 0 HG SER A 64 -7.834 -14.024 0.953 1.00 4.24 H new ATOM 933 N VAL A 65 -8.073 -9.660 -2.347 1.00 41.15 N ATOM 934 CA VAL A 65 -8.573 -8.314 -2.513 1.00 1.33 C ATOM 935 C VAL A 65 -10.095 -8.313 -2.539 1.00 24.03 C ATOM 936 O VAL A 65 -10.726 -8.908 -3.414 1.00 1.43 O ATOM 937 CB VAL A 65 -8.012 -7.631 -3.786 1.00 34.23 C ATOM 938 CG1 VAL A 65 -8.190 -8.511 -5.014 1.00 3.03 C ATOM 939 CG2 VAL A 65 -8.666 -6.272 -4.004 1.00 24.14 C ATOM 0 H VAL A 65 -8.069 -10.221 -3.199 1.00 41.15 H new ATOM 0 HA VAL A 65 -8.228 -7.734 -1.657 1.00 1.33 H new ATOM 0 HB VAL A 65 -6.943 -7.481 -3.634 1.00 34.23 H new ATOM 0 HG11 VAL A 65 -7.786 -8.001 -5.889 1.00 3.03 H new ATOM 0 HG12 VAL A 65 -7.662 -9.453 -4.866 1.00 3.03 H new ATOM 0 HG13 VAL A 65 -9.250 -8.710 -5.168 1.00 3.03 H new ATOM 0 HG21 VAL A 65 -8.257 -5.811 -4.903 1.00 24.14 H new ATOM 0 HG22 VAL A 65 -9.742 -6.401 -4.120 1.00 24.14 H new ATOM 0 HG23 VAL A 65 -8.468 -5.631 -3.145 1.00 24.14 H new ATOM 949 N ALA A 66 -10.672 -7.671 -1.544 1.00 72.43 N ATOM 950 CA ALA A 66 -12.107 -7.498 -1.477 1.00 1.43 C ATOM 951 C ALA A 66 -12.445 -6.025 -1.610 1.00 33.43 C ATOM 952 O ALA A 66 -12.385 -5.269 -0.638 1.00 15.13 O ATOM 953 CB ALA A 66 -12.658 -8.068 -0.177 1.00 62.14 C ATOM 0 H ALA A 66 -10.162 -7.257 -0.764 1.00 72.43 H new ATOM 0 HA ALA A 66 -12.572 -8.043 -2.299 1.00 1.43 H new ATOM 0 HB1 ALA A 66 -13.738 -7.927 -0.147 1.00 62.14 H new ATOM 0 HB2 ALA A 66 -12.429 -9.132 -0.120 1.00 62.14 H new ATOM 0 HB3 ALA A 66 -12.202 -7.553 0.668 1.00 62.14 H new ATOM 959 N TYR A 67 -12.770 -5.605 -2.818 1.00 34.43 N ATOM 960 CA TYR A 67 -13.052 -4.206 -3.061 1.00 72.25 C ATOM 961 C TYR A 67 -14.486 -4.025 -3.533 1.00 32.12 C ATOM 962 O TYR A 67 -14.996 -4.824 -4.319 1.00 51.33 O ATOM 963 CB TYR A 67 -12.066 -3.607 -4.077 1.00 61.33 C ATOM 964 CG TYR A 67 -12.375 -3.911 -5.524 1.00 23.43 C ATOM 965 CD1 TYR A 67 -11.934 -5.082 -6.122 1.00 63.44 C ATOM 966 CD2 TYR A 67 -13.119 -3.021 -6.290 1.00 54.30 C ATOM 967 CE1 TYR A 67 -12.220 -5.355 -7.444 1.00 2.31 C ATOM 968 CE2 TYR A 67 -13.407 -3.286 -7.609 1.00 62.31 C ATOM 969 CZ TYR A 67 -12.961 -4.455 -8.180 1.00 43.41 C ATOM 970 OH TYR A 67 -13.259 -4.726 -9.492 1.00 71.33 O ATOM 0 H TYR A 67 -12.844 -6.207 -3.638 1.00 34.43 H new ATOM 0 HA TYR A 67 -12.927 -3.670 -2.120 1.00 72.25 H new ATOM 0 HB2 TYR A 67 -12.045 -2.525 -3.945 1.00 61.33 H new ATOM 0 HB3 TYR A 67 -11.066 -3.975 -3.850 1.00 61.33 H new ATOM 0 HD1 TYR A 67 -11.358 -5.790 -5.545 1.00 63.44 H new ATOM 0 HD2 TYR A 67 -13.477 -2.106 -5.842 1.00 54.30 H new ATOM 0 HE1 TYR A 67 -11.866 -6.268 -7.899 1.00 2.31 H new ATOM 0 HE2 TYR A 67 -13.980 -2.580 -8.192 1.00 62.31 H new ATOM 0 HH TYR A 67 -13.539 -3.901 -9.941 1.00 71.33 H new ATOM 980 N LYS A 68 -15.128 -2.984 -3.037 1.00 10.51 N ATOM 981 CA LYS A 68 -16.478 -2.655 -3.453 1.00 64.12 C ATOM 982 C LYS A 68 -16.480 -1.307 -4.156 1.00 35.13 C ATOM 983 O LYS A 68 -15.607 -0.469 -3.915 1.00 3.33 O ATOM 984 CB LYS A 68 -17.430 -2.596 -2.249 1.00 61.15 C ATOM 985 CG LYS A 68 -17.258 -1.343 -1.398 1.00 22.44 C ATOM 986 CD LYS A 68 -18.246 -1.280 -0.238 1.00 2.44 C ATOM 987 CE LYS A 68 -17.753 -2.044 0.985 1.00 32.40 C ATOM 988 NZ LYS A 68 -17.617 -3.502 0.736 1.00 53.41 N ATOM 0 H LYS A 68 -14.734 -2.349 -2.342 1.00 10.51 H new ATOM 0 HA LYS A 68 -16.824 -3.434 -4.132 1.00 64.12 H new ATOM 0 HB2 LYS A 68 -18.459 -2.644 -2.607 1.00 61.15 H new ATOM 0 HB3 LYS A 68 -17.268 -3.475 -1.625 1.00 61.15 H new ATOM 0 HG2 LYS A 68 -16.241 -1.311 -1.006 1.00 22.44 H new ATOM 0 HG3 LYS A 68 -17.385 -0.462 -2.026 1.00 22.44 H new ATOM 0 HD2 LYS A 68 -18.419 -0.238 0.033 1.00 2.44 H new ATOM 0 HD3 LYS A 68 -19.204 -1.690 -0.557 1.00 2.44 H new ATOM 0 HE2 LYS A 68 -16.789 -1.641 1.295 1.00 32.40 H new ATOM 0 HE3 LYS A 68 -18.446 -1.884 1.811 1.00 32.40 H new ATOM 0 HZ1 LYS A 68 -17.716 -4.018 1.633 1.00 53.41 H new ATOM 0 HZ2 LYS A 68 -18.357 -3.812 0.075 1.00 53.41 H new ATOM 0 HZ3 LYS A 68 -16.682 -3.698 0.325 1.00 53.41 H new ATOM 1002 N ILE A 69 -17.449 -1.111 -5.024 1.00 22.14 N ATOM 1003 CA ILE A 69 -17.669 0.181 -5.639 1.00 21.14 C ATOM 1004 C ILE A 69 -18.989 0.742 -5.145 1.00 4.41 C ATOM 1005 O ILE A 69 -20.062 0.293 -5.556 1.00 31.24 O ATOM 1006 CB ILE A 69 -17.690 0.099 -7.180 1.00 45.41 C ATOM 1007 CG1 ILE A 69 -16.391 -0.521 -7.701 1.00 22.45 C ATOM 1008 CG2 ILE A 69 -17.897 1.483 -7.781 1.00 73.42 C ATOM 1009 CD1 ILE A 69 -16.363 -0.710 -9.204 1.00 20.30 C ATOM 0 H ILE A 69 -18.102 -1.836 -5.322 1.00 22.14 H new ATOM 0 HA ILE A 69 -16.841 0.832 -5.358 1.00 21.14 H new ATOM 0 HB ILE A 69 -18.521 -0.538 -7.482 1.00 45.41 H new ATOM 0 HG12 ILE A 69 -15.554 0.113 -7.408 1.00 22.45 H new ATOM 0 HG13 ILE A 69 -16.242 -1.488 -7.220 1.00 22.45 H new ATOM 0 HG21 ILE A 69 -17.910 1.409 -8.868 1.00 73.42 H new ATOM 0 HG22 ILE A 69 -18.846 1.892 -7.434 1.00 73.42 H new ATOM 0 HG23 ILE A 69 -17.084 2.140 -7.471 1.00 73.42 H new ATOM 0 HD11 ILE A 69 -15.412 -1.154 -9.497 1.00 20.30 H new ATOM 0 HD12 ILE A 69 -17.178 -1.369 -9.503 1.00 20.30 H new ATOM 0 HD13 ILE A 69 -16.479 0.256 -9.694 1.00 20.30 H new ATOM 1021 N LYS A 70 -18.910 1.698 -4.241 1.00 53.12 N ATOM 1022 CA LYS A 70 -20.099 2.301 -3.675 1.00 73.22 C ATOM 1023 C LYS A 70 -20.647 3.343 -4.619 1.00 32.23 C ATOM 1024 O LYS A 70 -20.121 4.450 -4.727 1.00 52.45 O ATOM 1025 CB LYS A 70 -19.792 2.913 -2.323 1.00 34.21 C ATOM 1026 CG LYS A 70 -21.010 3.421 -1.571 1.00 43.24 C ATOM 1027 CD LYS A 70 -21.990 2.300 -1.273 1.00 61.24 C ATOM 1028 CE LYS A 70 -23.074 2.749 -0.306 1.00 75.30 C ATOM 1029 NZ LYS A 70 -22.539 2.982 1.063 1.00 1.11 N ATOM 0 H LYS A 70 -18.032 2.074 -3.882 1.00 53.12 H new ATOM 0 HA LYS A 70 -20.853 1.527 -3.533 1.00 73.22 H new ATOM 0 HB2 LYS A 70 -19.285 2.169 -1.708 1.00 34.21 H new ATOM 0 HB3 LYS A 70 -19.096 3.740 -2.462 1.00 34.21 H new ATOM 0 HG2 LYS A 70 -20.694 3.887 -0.638 1.00 43.24 H new ATOM 0 HG3 LYS A 70 -21.506 4.192 -2.160 1.00 43.24 H new ATOM 0 HD2 LYS A 70 -22.448 1.959 -2.202 1.00 61.24 H new ATOM 0 HD3 LYS A 70 -21.454 1.450 -0.851 1.00 61.24 H new ATOM 0 HE2 LYS A 70 -23.533 3.665 -0.676 1.00 75.30 H new ATOM 0 HE3 LYS A 70 -23.859 1.993 -0.265 1.00 75.30 H new ATOM 0 HZ1 LYS A 70 -23.327 3.036 1.739 1.00 1.11 H new ATOM 0 HZ2 LYS A 70 -21.909 2.198 1.328 1.00 1.11 H new ATOM 0 HZ3 LYS A 70 -22.006 3.875 1.080 1.00 1.11 H new ATOM 1043 N ASP A 71 -21.697 2.962 -5.299 1.00 62.34 N ATOM 1044 CA ASP A 71 -22.315 3.799 -6.315 1.00 5.12 C ATOM 1045 C ASP A 71 -23.185 4.857 -5.661 1.00 35.41 C ATOM 1046 O ASP A 71 -24.231 4.551 -5.091 1.00 53.34 O ATOM 1047 CB ASP A 71 -23.153 2.947 -7.277 1.00 34.52 C ATOM 1048 CG ASP A 71 -23.779 3.762 -8.395 1.00 71.45 C ATOM 1049 OD1 ASP A 71 -24.906 4.272 -8.208 1.00 34.53 O ATOM 1050 OD2 ASP A 71 -23.154 3.882 -9.475 1.00 71.13 O ATOM 0 H ASP A 71 -22.155 2.060 -5.169 1.00 62.34 H new ATOM 0 HA ASP A 71 -21.527 4.291 -6.885 1.00 5.12 H new ATOM 0 HB2 ASP A 71 -22.523 2.170 -7.710 1.00 34.52 H new ATOM 0 HB3 ASP A 71 -23.940 2.443 -6.716 1.00 34.52 H new ATOM 1055 N LEU A 72 -22.729 6.094 -5.711 1.00 61.14 N ATOM 1056 CA LEU A 72 -23.485 7.205 -5.171 1.00 23.04 C ATOM 1057 C LEU A 72 -23.801 8.190 -6.276 1.00 2.45 C ATOM 1058 O LEU A 72 -23.290 8.077 -7.395 1.00 1.00 O ATOM 1059 CB LEU A 72 -22.706 7.908 -4.052 1.00 31.51 C ATOM 1060 CG LEU A 72 -22.173 6.991 -2.951 1.00 65.14 C ATOM 1061 CD1 LEU A 72 -21.210 7.744 -2.046 1.00 42.32 C ATOM 1062 CD2 LEU A 72 -23.311 6.407 -2.137 1.00 54.54 C ATOM 0 H LEU A 72 -21.833 6.355 -6.123 1.00 61.14 H new ATOM 0 HA LEU A 72 -24.413 6.819 -4.749 1.00 23.04 H new ATOM 0 HB2 LEU A 72 -21.866 8.441 -4.496 1.00 31.51 H new ATOM 0 HB3 LEU A 72 -23.354 8.657 -3.596 1.00 31.51 H new ATOM 0 HG LEU A 72 -21.635 6.171 -3.427 1.00 65.14 H new ATOM 0 HD11 LEU A 72 -20.842 7.074 -1.269 1.00 42.32 H new ATOM 0 HD12 LEU A 72 -20.370 8.113 -2.635 1.00 42.32 H new ATOM 0 HD13 LEU A 72 -21.727 8.585 -1.585 1.00 42.32 H new ATOM 0 HD21 LEU A 72 -22.907 5.758 -1.360 1.00 54.54 H new ATOM 0 HD22 LEU A 72 -23.880 7.214 -1.676 1.00 54.54 H new ATOM 0 HD23 LEU A 72 -23.965 5.828 -2.789 1.00 54.54 H new ATOM 1074 N GLU A 73 -24.631 9.158 -5.957 1.00 63.24 N ATOM 1075 CA GLU A 73 -25.046 10.149 -6.933 1.00 25.44 C ATOM 1076 C GLU A 73 -24.032 11.280 -7.016 1.00 1.14 C ATOM 1077 O GLU A 73 -23.933 12.108 -6.108 1.00 72.31 O ATOM 1078 CB GLU A 73 -26.435 10.707 -6.602 1.00 22.23 C ATOM 1079 CG GLU A 73 -27.584 9.777 -6.968 1.00 25.32 C ATOM 1080 CD GLU A 73 -27.555 8.462 -6.215 1.00 51.42 C ATOM 1081 OE1 GLU A 73 -27.907 8.447 -5.018 1.00 72.45 O ATOM 1082 OE2 GLU A 73 -27.184 7.436 -6.818 1.00 34.13 O ATOM 0 H GLU A 73 -25.034 9.283 -5.028 1.00 63.24 H new ATOM 0 HA GLU A 73 -25.100 9.655 -7.903 1.00 25.44 H new ATOM 0 HB2 GLU A 73 -26.483 10.923 -5.535 1.00 22.23 H new ATOM 0 HB3 GLU A 73 -26.568 11.654 -7.125 1.00 22.23 H new ATOM 0 HG2 GLU A 73 -28.529 10.282 -6.767 1.00 25.32 H new ATOM 0 HG3 GLU A 73 -27.552 9.575 -8.039 1.00 25.32 H new ATOM 1089 N GLY A 74 -23.267 11.294 -8.094 1.00 32.03 N ATOM 1090 CA GLY A 74 -22.293 12.350 -8.310 1.00 12.43 C ATOM 1091 C GLY A 74 -20.884 11.939 -7.927 1.00 65.14 C ATOM 1092 O GLY A 74 -19.916 12.650 -8.223 1.00 42.15 O ATOM 0 H GLY A 74 -23.301 10.589 -8.831 1.00 32.03 H new ATOM 0 HA2 GLY A 74 -22.308 12.643 -9.360 1.00 12.43 H new ATOM 0 HA3 GLY A 74 -22.581 13.227 -7.730 1.00 12.43 H new ATOM 1096 N GLN A 75 -20.766 10.792 -7.269 1.00 40.03 N ATOM 1097 CA GLN A 75 -19.472 10.274 -6.848 1.00 3.52 C ATOM 1098 C GLN A 75 -19.605 8.824 -6.402 1.00 73.32 C ATOM 1099 O GLN A 75 -20.708 8.338 -6.195 1.00 3.14 O ATOM 1100 CB GLN A 75 -18.880 11.132 -5.722 1.00 25.44 C ATOM 1101 CG GLN A 75 -19.818 11.346 -4.542 1.00 74.03 C ATOM 1102 CD GLN A 75 -19.265 12.343 -3.540 1.00 75.01 C ATOM 1103 OE1 GLN A 75 -18.521 13.257 -3.904 1.00 22.24 O ATOM 1104 NE2 GLN A 75 -19.630 12.190 -2.280 1.00 4.41 N ATOM 0 H GLN A 75 -21.557 10.200 -7.015 1.00 40.03 H new ATOM 0 HA GLN A 75 -18.791 10.317 -7.698 1.00 3.52 H new ATOM 0 HB2 GLN A 75 -17.965 10.660 -5.364 1.00 25.44 H new ATOM 0 HB3 GLN A 75 -18.599 12.103 -6.130 1.00 25.44 H new ATOM 0 HG2 GLN A 75 -20.783 11.698 -4.907 1.00 74.03 H new ATOM 0 HG3 GLN A 75 -19.994 10.393 -4.043 1.00 74.03 H new ATOM 0 HE21 GLN A 75 -20.247 11.421 -2.018 1.00 4.41 H new ATOM 0 HE22 GLN A 75 -19.295 12.841 -1.569 1.00 4.41 H new ATOM 1113 N VAL A 76 -18.484 8.139 -6.273 1.00 22.01 N ATOM 1114 CA VAL A 76 -18.476 6.753 -5.827 1.00 70.20 C ATOM 1115 C VAL A 76 -17.366 6.529 -4.819 1.00 61.42 C ATOM 1116 O VAL A 76 -16.371 7.252 -4.813 1.00 3.10 O ATOM 1117 CB VAL A 76 -18.281 5.756 -6.992 1.00 65.01 C ATOM 1118 CG1 VAL A 76 -19.452 5.806 -7.960 1.00 3.04 C ATOM 1119 CG2 VAL A 76 -16.967 6.022 -7.713 1.00 62.04 C ATOM 0 H VAL A 76 -17.559 8.521 -6.472 1.00 22.01 H new ATOM 0 HA VAL A 76 -19.451 6.571 -5.375 1.00 70.20 H new ATOM 0 HB VAL A 76 -18.242 4.751 -6.572 1.00 65.01 H new ATOM 0 HG11 VAL A 76 -19.286 5.094 -8.769 1.00 3.04 H new ATOM 0 HG12 VAL A 76 -20.371 5.549 -7.433 1.00 3.04 H new ATOM 0 HG13 VAL A 76 -19.540 6.811 -8.374 1.00 3.04 H new ATOM 0 HG21 VAL A 76 -16.849 5.309 -8.529 1.00 62.04 H new ATOM 0 HG22 VAL A 76 -16.971 7.036 -8.114 1.00 62.04 H new ATOM 0 HG23 VAL A 76 -16.139 5.912 -7.013 1.00 62.04 H new ATOM 1129 N GLU A 77 -17.545 5.533 -3.971 1.00 44.20 N ATOM 1130 CA GLU A 77 -16.515 5.151 -3.022 1.00 13.23 C ATOM 1131 C GLU A 77 -15.850 3.854 -3.464 1.00 14.02 C ATOM 1132 O GLU A 77 -16.495 2.805 -3.527 1.00 0.44 O ATOM 1133 CB GLU A 77 -17.104 4.984 -1.618 1.00 64.11 C ATOM 1134 CG GLU A 77 -16.095 4.495 -0.582 1.00 53.50 C ATOM 1135 CD GLU A 77 -16.730 4.179 0.758 1.00 72.31 C ATOM 1136 OE1 GLU A 77 -17.569 3.259 0.821 1.00 33.42 O ATOM 1137 OE2 GLU A 77 -16.378 4.835 1.763 1.00 51.23 O ATOM 0 H GLU A 77 -18.396 4.973 -3.920 1.00 44.20 H new ATOM 0 HA GLU A 77 -15.768 5.944 -2.991 1.00 13.23 H new ATOM 0 HB2 GLU A 77 -17.514 5.939 -1.290 1.00 64.11 H new ATOM 0 HB3 GLU A 77 -17.934 4.280 -1.664 1.00 64.11 H new ATOM 0 HG2 GLU A 77 -15.596 3.603 -0.961 1.00 53.50 H new ATOM 0 HG3 GLU A 77 -15.327 5.256 -0.444 1.00 53.50 H new ATOM 1144 N LEU A 78 -14.574 3.930 -3.790 1.00 35.31 N ATOM 1145 CA LEU A 78 -13.803 2.744 -4.098 1.00 50.43 C ATOM 1146 C LEU A 78 -13.182 2.239 -2.805 1.00 2.54 C ATOM 1147 O LEU A 78 -12.291 2.878 -2.236 1.00 2.33 O ATOM 1148 CB LEU A 78 -12.738 3.052 -5.165 1.00 2.21 C ATOM 1149 CG LEU A 78 -12.001 1.840 -5.761 1.00 65.04 C ATOM 1150 CD1 LEU A 78 -10.880 1.369 -4.845 1.00 52.12 C ATOM 1151 CD2 LEU A 78 -12.975 0.700 -6.030 1.00 4.42 C ATOM 0 H LEU A 78 -14.050 4.803 -3.848 1.00 35.31 H new ATOM 0 HA LEU A 78 -14.444 1.968 -4.515 1.00 50.43 H new ATOM 0 HB2 LEU A 78 -13.217 3.596 -5.979 1.00 2.21 H new ATOM 0 HB3 LEU A 78 -11.998 3.721 -4.727 1.00 2.21 H new ATOM 0 HG LEU A 78 -11.557 2.154 -6.706 1.00 65.04 H new ATOM 0 HD11 LEU A 78 -10.379 0.512 -5.294 1.00 52.12 H new ATOM 0 HD12 LEU A 78 -10.162 2.177 -4.704 1.00 52.12 H new ATOM 0 HD13 LEU A 78 -11.296 1.081 -3.879 1.00 52.12 H new ATOM 0 HD21 LEU A 78 -12.435 -0.148 -6.451 1.00 4.42 H new ATOM 0 HD22 LEU A 78 -13.451 0.400 -5.096 1.00 4.42 H new ATOM 0 HD23 LEU A 78 -13.737 1.031 -6.735 1.00 4.42 H new ATOM 1163 N ASP A 79 -13.681 1.110 -2.336 1.00 14.22 N ATOM 1164 CA ASP A 79 -13.289 0.573 -1.037 1.00 63.45 C ATOM 1165 C ASP A 79 -12.572 -0.753 -1.216 1.00 64.43 C ATOM 1166 O ASP A 79 -13.188 -1.750 -1.574 1.00 73.44 O ATOM 1167 CB ASP A 79 -14.528 0.384 -0.159 1.00 34.10 C ATOM 1168 CG ASP A 79 -14.198 -0.078 1.247 1.00 40.11 C ATOM 1169 OD1 ASP A 79 -13.883 -1.274 1.436 1.00 65.23 O ATOM 1170 OD2 ASP A 79 -14.278 0.753 2.178 1.00 42.34 O ATOM 0 H ASP A 79 -14.364 0.541 -2.836 1.00 14.22 H new ATOM 0 HA ASP A 79 -12.612 1.276 -0.552 1.00 63.45 H new ATOM 0 HB2 ASP A 79 -15.075 1.325 -0.106 1.00 34.10 H new ATOM 0 HB3 ASP A 79 -15.190 -0.344 -0.628 1.00 34.10 H new ATOM 1175 N ALA A 80 -11.271 -0.761 -0.980 1.00 45.03 N ATOM 1176 CA ALA A 80 -10.466 -1.949 -1.209 1.00 71.32 C ATOM 1177 C ALA A 80 -9.890 -2.507 0.088 1.00 44.03 C ATOM 1178 O ALA A 80 -9.497 -1.760 0.984 1.00 62.43 O ATOM 1179 CB ALA A 80 -9.348 -1.634 -2.192 1.00 52.42 C ATOM 0 H ALA A 80 -10.749 0.042 -0.630 1.00 45.03 H new ATOM 0 HA ALA A 80 -11.116 -2.716 -1.631 1.00 71.32 H new ATOM 0 HB1 ALA A 80 -8.748 -2.528 -2.360 1.00 52.42 H new ATOM 0 HB2 ALA A 80 -9.777 -1.303 -3.137 1.00 52.42 H new ATOM 0 HB3 ALA A 80 -8.716 -0.845 -1.784 1.00 52.42 H new ATOM 1185 N ALA A 81 -9.865 -3.826 0.181 1.00 34.14 N ATOM 1186 CA ALA A 81 -9.246 -4.521 1.294 1.00 13.44 C ATOM 1187 C ALA A 81 -8.318 -5.610 0.772 1.00 54.54 C ATOM 1188 O ALA A 81 -8.776 -6.605 0.216 1.00 20.32 O ATOM 1189 CB ALA A 81 -10.308 -5.122 2.204 1.00 14.11 C ATOM 0 H ALA A 81 -10.276 -4.446 -0.517 1.00 34.14 H new ATOM 0 HA ALA A 81 -8.662 -3.806 1.874 1.00 13.44 H new ATOM 0 HB1 ALA A 81 -9.826 -5.640 3.033 1.00 14.11 H new ATOM 0 HB2 ALA A 81 -10.945 -4.328 2.593 1.00 14.11 H new ATOM 0 HB3 ALA A 81 -10.914 -5.829 1.638 1.00 14.11 H new ATOM 1195 N PHE A 82 -7.020 -5.407 0.929 1.00 31.42 N ATOM 1196 CA PHE A 82 -6.033 -6.373 0.459 1.00 54.04 C ATOM 1197 C PHE A 82 -5.471 -7.175 1.621 1.00 25.33 C ATOM 1198 O PHE A 82 -4.763 -6.638 2.465 1.00 15.34 O ATOM 1199 CB PHE A 82 -4.879 -5.662 -0.258 1.00 3.55 C ATOM 1200 CG PHE A 82 -5.265 -4.968 -1.535 1.00 4.52 C ATOM 1201 CD1 PHE A 82 -5.806 -3.693 -1.512 1.00 51.15 C ATOM 1202 CD2 PHE A 82 -5.071 -5.588 -2.757 1.00 22.24 C ATOM 1203 CE1 PHE A 82 -6.151 -3.051 -2.685 1.00 74.22 C ATOM 1204 CE2 PHE A 82 -5.412 -4.949 -3.935 1.00 74.24 C ATOM 1205 CZ PHE A 82 -5.954 -3.679 -3.898 1.00 32.10 C ATOM 0 H PHE A 82 -6.622 -4.582 1.378 1.00 31.42 H new ATOM 0 HA PHE A 82 -6.534 -7.045 -0.237 1.00 54.04 H new ATOM 0 HB2 PHE A 82 -4.444 -4.929 0.421 1.00 3.55 H new ATOM 0 HB3 PHE A 82 -4.101 -6.393 -0.478 1.00 3.55 H new ATOM 0 HD1 PHE A 82 -5.960 -3.195 -0.566 1.00 51.15 H new ATOM 0 HD2 PHE A 82 -4.649 -6.581 -2.791 1.00 22.24 H new ATOM 0 HE1 PHE A 82 -6.575 -2.058 -2.653 1.00 74.22 H new ATOM 0 HE2 PHE A 82 -5.255 -5.442 -4.883 1.00 74.24 H new ATOM 0 HZ PHE A 82 -6.223 -3.179 -4.816 1.00 32.10 H new ATOM 1215 N THR A 83 -5.793 -8.453 1.664 1.00 12.42 N ATOM 1216 CA THR A 83 -5.243 -9.343 2.670 1.00 35.31 C ATOM 1217 C THR A 83 -4.138 -10.205 2.064 1.00 0.24 C ATOM 1218 O THR A 83 -4.388 -11.013 1.168 1.00 14.40 O ATOM 1219 CB THR A 83 -6.339 -10.246 3.276 1.00 21.34 C ATOM 1220 OG1 THR A 83 -7.373 -9.432 3.842 1.00 60.31 O ATOM 1221 CG2 THR A 83 -5.766 -11.156 4.355 1.00 55.43 C ATOM 0 H THR A 83 -6.436 -8.901 1.011 1.00 12.42 H new ATOM 0 HA THR A 83 -4.825 -8.729 3.468 1.00 35.31 H new ATOM 0 HB THR A 83 -6.747 -10.869 2.480 1.00 21.34 H new ATOM 0 HG1 THR A 83 -8.069 -10.006 4.225 1.00 60.31 H new ATOM 0 HG21 THR A 83 -6.560 -11.780 4.764 1.00 55.43 H new ATOM 0 HG22 THR A 83 -4.992 -11.790 3.923 1.00 55.43 H new ATOM 0 HG23 THR A 83 -5.335 -10.549 5.151 1.00 55.43 H new ATOM 1229 N PHE A 84 -2.918 -10.014 2.540 1.00 74.14 N ATOM 1230 CA PHE A 84 -1.773 -10.754 2.026 1.00 50.12 C ATOM 1231 C PHE A 84 -1.404 -11.900 2.960 1.00 21.44 C ATOM 1232 O PHE A 84 -1.791 -11.909 4.132 1.00 70.41 O ATOM 1233 CB PHE A 84 -0.575 -9.822 1.847 1.00 74.40 C ATOM 1234 CG PHE A 84 -0.793 -8.749 0.814 1.00 13.43 C ATOM 1235 CD1 PHE A 84 -0.578 -9.009 -0.532 1.00 62.41 C ATOM 1236 CD2 PHE A 84 -1.209 -7.480 1.188 1.00 13.42 C ATOM 1237 CE1 PHE A 84 -0.772 -8.024 -1.482 1.00 51.55 C ATOM 1238 CE2 PHE A 84 -1.403 -6.493 0.241 1.00 71.14 C ATOM 1239 CZ PHE A 84 -1.185 -6.765 -1.095 1.00 33.13 C ATOM 0 H PHE A 84 -2.693 -9.352 3.283 1.00 74.14 H new ATOM 0 HA PHE A 84 -2.047 -11.171 1.057 1.00 50.12 H new ATOM 0 HB2 PHE A 84 -0.345 -9.352 2.803 1.00 74.40 H new ATOM 0 HB3 PHE A 84 0.296 -10.414 1.565 1.00 74.40 H new ATOM 0 HD1 PHE A 84 -0.255 -9.992 -0.841 1.00 62.41 H new ATOM 0 HD2 PHE A 84 -1.383 -7.261 2.231 1.00 13.42 H new ATOM 0 HE1 PHE A 84 -0.601 -8.239 -2.526 1.00 51.55 H new ATOM 0 HE2 PHE A 84 -1.725 -5.508 0.546 1.00 71.14 H new ATOM 0 HZ PHE A 84 -1.337 -5.994 -1.836 1.00 33.13 H new ATOM 1249 N SER A 85 -0.667 -12.867 2.429 1.00 32.42 N ATOM 1250 CA SER A 85 -0.203 -14.004 3.212 1.00 13.43 C ATOM 1251 C SER A 85 0.801 -13.553 4.269 1.00 5.14 C ATOM 1252 O SER A 85 0.829 -14.076 5.383 1.00 74.14 O ATOM 1253 CB SER A 85 0.443 -15.031 2.285 1.00 52.25 C ATOM 1254 OG SER A 85 -0.363 -15.246 1.138 1.00 72.52 O ATOM 0 H SER A 85 -0.376 -12.886 1.452 1.00 32.42 H new ATOM 0 HA SER A 85 -1.056 -14.456 3.718 1.00 13.43 H new ATOM 0 HB2 SER A 85 1.431 -14.684 1.982 1.00 52.25 H new ATOM 0 HB3 SER A 85 0.585 -15.971 2.818 1.00 52.25 H new ATOM 0 HG SER A 85 0.067 -15.906 0.555 1.00 72.52 H new ATOM 1260 N CYS A 86 1.617 -12.572 3.909 1.00 71.44 N ATOM 1261 CA CYS A 86 2.600 -12.014 4.822 1.00 44.33 C ATOM 1262 C CYS A 86 2.314 -10.537 5.040 1.00 51.12 C ATOM 1263 O CYS A 86 1.807 -9.862 4.143 1.00 1.40 O ATOM 1264 CB CYS A 86 4.013 -12.181 4.255 1.00 4.45 C ATOM 1265 SG CYS A 86 4.408 -13.859 3.719 1.00 52.33 S ATOM 0 H CYS A 86 1.616 -12.145 2.983 1.00 71.44 H new ATOM 0 HA CYS A 86 2.536 -12.545 5.772 1.00 44.33 H new ATOM 0 HB2 CYS A 86 4.134 -11.504 3.409 1.00 4.45 H new ATOM 0 HB3 CYS A 86 4.734 -11.876 5.013 1.00 4.45 H new ATOM 0 HG CYS A 86 5.622 -13.892 3.255 1.00 52.33 H new ATOM 1271 N GLN A 87 2.632 -10.034 6.222 1.00 42.04 N ATOM 1272 CA GLN A 87 2.476 -8.617 6.501 1.00 13.40 C ATOM 1273 C GLN A 87 3.487 -7.813 5.700 1.00 63.42 C ATOM 1274 O GLN A 87 3.236 -6.665 5.335 1.00 64.25 O ATOM 1275 CB GLN A 87 2.639 -8.340 7.992 1.00 11.14 C ATOM 1276 CG GLN A 87 2.538 -6.867 8.354 1.00 53.13 C ATOM 1277 CD GLN A 87 2.397 -6.650 9.843 1.00 13.11 C ATOM 1278 OE1 GLN A 87 2.938 -7.408 10.649 1.00 1.42 O ATOM 1279 NE2 GLN A 87 1.640 -5.634 10.223 1.00 3.11 N ATOM 0 H GLN A 87 2.998 -10.583 7.000 1.00 42.04 H new ATOM 0 HA GLN A 87 1.471 -8.314 6.206 1.00 13.40 H new ATOM 0 HB2 GLN A 87 1.877 -8.893 8.541 1.00 11.14 H new ATOM 0 HB3 GLN A 87 3.607 -8.720 8.320 1.00 11.14 H new ATOM 0 HG2 GLN A 87 3.426 -6.346 7.996 1.00 53.13 H new ATOM 0 HG3 GLN A 87 1.682 -6.427 7.842 1.00 53.13 H new ATOM 0 HE21 GLN A 87 1.210 -5.029 9.524 1.00 3.11 H new ATOM 0 HE22 GLN A 87 1.487 -5.455 11.215 1.00 3.11 H new ATOM 1288 N ALA A 88 4.623 -8.438 5.417 1.00 52.11 N ATOM 1289 CA ALA A 88 5.664 -7.824 4.603 1.00 20.31 C ATOM 1290 C ALA A 88 5.113 -7.381 3.254 1.00 73.15 C ATOM 1291 O ALA A 88 5.434 -6.295 2.773 1.00 22.02 O ATOM 1292 CB ALA A 88 6.817 -8.794 4.408 1.00 5.25 C ATOM 0 H ALA A 88 4.848 -9.378 5.743 1.00 52.11 H new ATOM 0 HA ALA A 88 6.029 -6.940 5.126 1.00 20.31 H new ATOM 0 HB1 ALA A 88 7.589 -8.324 3.798 1.00 5.25 H new ATOM 0 HB2 ALA A 88 7.235 -9.062 5.378 1.00 5.25 H new ATOM 0 HB3 ALA A 88 6.456 -9.692 3.907 1.00 5.25 H new ATOM 1298 N GLU A 89 4.264 -8.219 2.667 1.00 43.33 N ATOM 1299 CA GLU A 89 3.673 -7.934 1.362 1.00 24.04 C ATOM 1300 C GLU A 89 2.781 -6.701 1.442 1.00 20.01 C ATOM 1301 O GLU A 89 2.657 -5.948 0.482 1.00 53.22 O ATOM 1302 CB GLU A 89 2.832 -9.117 0.872 1.00 34.41 C ATOM 1303 CG GLU A 89 3.344 -10.489 1.291 1.00 40.31 C ATOM 1304 CD GLU A 89 4.716 -10.822 0.744 1.00 64.10 C ATOM 1305 OE1 GLU A 89 4.794 -11.394 -0.358 1.00 64.02 O ATOM 1306 OE2 GLU A 89 5.715 -10.546 1.436 1.00 43.03 O ATOM 0 H GLU A 89 3.968 -9.105 3.076 1.00 43.33 H new ATOM 0 HA GLU A 89 4.489 -7.757 0.662 1.00 24.04 H new ATOM 0 HB2 GLU A 89 1.814 -8.997 1.242 1.00 34.41 H new ATOM 0 HB3 GLU A 89 2.782 -9.081 -0.216 1.00 34.41 H new ATOM 0 HG2 GLU A 89 3.375 -10.538 2.379 1.00 40.31 H new ATOM 0 HG3 GLU A 89 2.636 -11.248 0.958 1.00 40.31 H new ATOM 1313 N MET A 90 2.162 -6.504 2.601 1.00 50.13 N ATOM 1314 CA MET A 90 1.244 -5.389 2.797 1.00 62.41 C ATOM 1315 C MET A 90 2.013 -4.077 2.862 1.00 13.53 C ATOM 1316 O MET A 90 1.704 -3.131 2.143 1.00 52.51 O ATOM 1317 CB MET A 90 0.428 -5.593 4.081 1.00 14.43 C ATOM 1318 CG MET A 90 -0.865 -4.787 4.145 1.00 20.45 C ATOM 1319 SD MET A 90 -0.612 -3.005 4.282 1.00 13.42 S ATOM 1320 CE MET A 90 0.225 -2.889 5.861 1.00 25.55 C ATOM 0 H MET A 90 2.280 -7.102 3.419 1.00 50.13 H new ATOM 0 HA MET A 90 0.558 -5.348 1.951 1.00 62.41 H new ATOM 0 HB2 MET A 90 0.186 -6.651 4.178 1.00 14.43 H new ATOM 0 HB3 MET A 90 1.049 -5.328 4.937 1.00 14.43 H new ATOM 0 HG2 MET A 90 -1.454 -4.993 3.251 1.00 20.45 H new ATOM 0 HG3 MET A 90 -1.452 -5.127 4.998 1.00 20.45 H new ATOM 0 HE1 MET A 90 -0.390 -2.320 6.558 1.00 25.55 H new ATOM 0 HE2 MET A 90 0.392 -3.890 6.259 1.00 25.55 H new ATOM 0 HE3 MET A 90 1.183 -2.387 5.729 1.00 25.55 H new ATOM 1330 N ILE A 91 3.035 -4.034 3.708 1.00 3.14 N ATOM 1331 CA ILE A 91 3.796 -2.807 3.909 1.00 65.33 C ATOM 1332 C ILE A 91 4.568 -2.392 2.657 1.00 3.10 C ATOM 1333 O ILE A 91 4.642 -1.210 2.343 1.00 44.40 O ATOM 1334 CB ILE A 91 4.752 -2.900 5.118 1.00 45.04 C ATOM 1335 CG1 ILE A 91 5.322 -4.311 5.266 1.00 12.55 C ATOM 1336 CG2 ILE A 91 4.028 -2.484 6.390 1.00 60.55 C ATOM 1337 CD1 ILE A 91 6.466 -4.406 6.251 1.00 65.02 C ATOM 0 H ILE A 91 3.354 -4.828 4.262 1.00 3.14 H new ATOM 0 HA ILE A 91 3.058 -2.034 4.122 1.00 65.33 H new ATOM 0 HB ILE A 91 5.586 -2.220 4.945 1.00 45.04 H new ATOM 0 HG12 ILE A 91 4.525 -4.984 5.583 1.00 12.55 H new ATOM 0 HG13 ILE A 91 5.664 -4.659 4.291 1.00 12.55 H new ATOM 0 HG21 ILE A 91 4.711 -2.553 7.237 1.00 60.55 H new ATOM 0 HG22 ILE A 91 3.677 -1.457 6.290 1.00 60.55 H new ATOM 0 HG23 ILE A 91 3.176 -3.144 6.556 1.00 60.55 H new ATOM 0 HD11 ILE A 91 6.818 -5.436 6.302 1.00 65.02 H new ATOM 0 HD12 ILE A 91 7.281 -3.760 5.925 1.00 65.02 H new ATOM 0 HD13 ILE A 91 6.125 -4.090 7.237 1.00 65.02 H new ATOM 1349 N ILE A 92 5.124 -3.349 1.923 1.00 55.32 N ATOM 1350 CA ILE A 92 5.814 -3.022 0.680 1.00 73.32 C ATOM 1351 C ILE A 92 4.815 -2.509 -0.356 1.00 43.05 C ATOM 1352 O ILE A 92 5.153 -1.691 -1.218 1.00 2.05 O ATOM 1353 CB ILE A 92 6.610 -4.218 0.109 1.00 11.14 C ATOM 1354 CG1 ILE A 92 5.701 -5.419 -0.154 1.00 71.34 C ATOM 1355 CG2 ILE A 92 7.743 -4.594 1.053 1.00 42.15 C ATOM 1356 CD1 ILE A 92 6.427 -6.609 -0.742 1.00 63.41 C ATOM 0 H ILE A 92 5.112 -4.341 2.161 1.00 55.32 H new ATOM 0 HA ILE A 92 6.537 -2.240 0.911 1.00 73.32 H new ATOM 0 HB ILE A 92 7.037 -3.915 -0.847 1.00 11.14 H new ATOM 0 HG12 ILE A 92 5.228 -5.718 0.781 1.00 71.34 H new ATOM 0 HG13 ILE A 92 4.903 -5.119 -0.833 1.00 71.34 H new ATOM 0 HG21 ILE A 92 8.296 -5.437 0.640 1.00 42.15 H new ATOM 0 HG22 ILE A 92 8.414 -3.744 1.173 1.00 42.15 H new ATOM 0 HG23 ILE A 92 7.331 -4.871 2.024 1.00 42.15 H new ATOM 0 HD11 ILE A 92 5.721 -7.423 -0.902 1.00 63.41 H new ATOM 0 HD12 ILE A 92 6.877 -6.327 -1.694 1.00 63.41 H new ATOM 0 HD13 ILE A 92 7.207 -6.935 -0.054 1.00 63.41 H new ATOM 1368 N PHE A 93 3.580 -2.989 -0.248 1.00 53.23 N ATOM 1369 CA PHE A 93 2.498 -2.568 -1.124 1.00 65.43 C ATOM 1370 C PHE A 93 2.102 -1.114 -0.844 1.00 23.10 C ATOM 1371 O PHE A 93 2.052 -0.293 -1.761 1.00 55.55 O ATOM 1372 CB PHE A 93 1.300 -3.505 -0.932 1.00 73.52 C ATOM 1373 CG PHE A 93 0.092 -3.159 -1.754 1.00 31.33 C ATOM 1374 CD1 PHE A 93 0.072 -3.396 -3.117 1.00 54.30 C ATOM 1375 CD2 PHE A 93 -1.033 -2.616 -1.154 1.00 61.33 C ATOM 1376 CE1 PHE A 93 -1.045 -3.092 -3.869 1.00 74.25 C ATOM 1377 CE2 PHE A 93 -2.150 -2.308 -1.902 1.00 72.11 C ATOM 1378 CZ PHE A 93 -2.158 -2.550 -3.259 1.00 21.35 C ATOM 0 H PHE A 93 3.304 -3.680 0.449 1.00 53.23 H new ATOM 0 HA PHE A 93 2.835 -2.623 -2.159 1.00 65.43 H new ATOM 0 HB2 PHE A 93 1.609 -4.521 -1.176 1.00 73.52 H new ATOM 0 HB3 PHE A 93 1.019 -3.501 0.121 1.00 73.52 H new ATOM 0 HD1 PHE A 93 0.940 -3.823 -3.598 1.00 54.30 H new ATOM 0 HD2 PHE A 93 -1.035 -2.432 -0.090 1.00 61.33 H new ATOM 0 HE1 PHE A 93 -1.048 -3.278 -4.933 1.00 74.25 H new ATOM 0 HE2 PHE A 93 -3.018 -1.877 -1.425 1.00 72.11 H new ATOM 0 HZ PHE A 93 -3.035 -2.316 -3.844 1.00 21.35 H new ATOM 1388 N GLU A 94 1.847 -0.797 0.425 1.00 72.11 N ATOM 1389 CA GLU A 94 1.398 0.544 0.804 1.00 21.41 C ATOM 1390 C GLU A 94 2.495 1.591 0.593 1.00 3.30 C ATOM 1391 O GLU A 94 2.203 2.743 0.256 1.00 74.43 O ATOM 1392 CB GLU A 94 0.886 0.566 2.254 1.00 31.55 C ATOM 1393 CG GLU A 94 1.834 -0.056 3.267 1.00 64.51 C ATOM 1394 CD GLU A 94 2.282 0.925 4.328 1.00 61.14 C ATOM 1395 OE1 GLU A 94 1.454 1.317 5.177 1.00 73.42 O ATOM 1396 OE2 GLU A 94 3.460 1.336 4.299 1.00 72.31 O ATOM 0 H GLU A 94 1.943 -1.447 1.206 1.00 72.11 H new ATOM 0 HA GLU A 94 0.568 0.806 0.147 1.00 21.41 H new ATOM 0 HB2 GLU A 94 0.693 1.599 2.542 1.00 31.55 H new ATOM 0 HB3 GLU A 94 -0.068 0.040 2.297 1.00 31.55 H new ATOM 0 HG2 GLU A 94 1.343 -0.903 3.746 1.00 64.51 H new ATOM 0 HG3 GLU A 94 2.709 -0.447 2.747 1.00 64.51 H new ATOM 1403 N LEU A 95 3.751 1.195 0.777 1.00 1.11 N ATOM 1404 CA LEU A 95 4.876 2.082 0.492 1.00 71.54 C ATOM 1405 C LEU A 95 4.887 2.467 -0.981 1.00 4.34 C ATOM 1406 O LEU A 95 4.961 3.646 -1.328 1.00 44.50 O ATOM 1407 CB LEU A 95 6.204 1.417 0.862 1.00 23.01 C ATOM 1408 CG LEU A 95 6.406 1.161 2.355 1.00 34.53 C ATOM 1409 CD1 LEU A 95 7.736 0.468 2.601 1.00 61.10 C ATOM 1410 CD2 LEU A 95 6.327 2.466 3.133 1.00 30.15 C ATOM 0 H LEU A 95 4.015 0.272 1.120 1.00 1.11 H new ATOM 0 HA LEU A 95 4.757 2.981 1.097 1.00 71.54 H new ATOM 0 HB2 LEU A 95 6.277 0.467 0.333 1.00 23.01 H new ATOM 0 HB3 LEU A 95 7.020 2.045 0.503 1.00 23.01 H new ATOM 0 HG LEU A 95 5.609 0.505 2.705 1.00 34.53 H new ATOM 0 HD11 LEU A 95 7.863 0.294 3.669 1.00 61.10 H new ATOM 0 HD12 LEU A 95 7.753 -0.485 2.073 1.00 61.10 H new ATOM 0 HD13 LEU A 95 8.547 1.098 2.237 1.00 61.10 H new ATOM 0 HD21 LEU A 95 6.473 2.266 4.195 1.00 30.15 H new ATOM 0 HD22 LEU A 95 7.103 3.146 2.782 1.00 30.15 H new ATOM 0 HD23 LEU A 95 5.349 2.922 2.981 1.00 30.15 H new ATOM 1422 N SER A 96 4.783 1.458 -1.835 1.00 25.23 N ATOM 1423 CA SER A 96 4.768 1.659 -3.280 1.00 22.01 C ATOM 1424 C SER A 96 3.627 2.583 -3.710 1.00 53.24 C ATOM 1425 O SER A 96 3.755 3.323 -4.684 1.00 12.21 O ATOM 1426 CB SER A 96 4.646 0.311 -3.990 1.00 0.33 C ATOM 1427 OG SER A 96 5.733 -0.539 -3.658 1.00 35.24 O ATOM 0 H SER A 96 4.707 0.482 -1.549 1.00 25.23 H new ATOM 0 HA SER A 96 5.706 2.137 -3.562 1.00 22.01 H new ATOM 0 HB2 SER A 96 3.707 -0.167 -3.711 1.00 0.33 H new ATOM 0 HB3 SER A 96 4.617 0.465 -5.069 1.00 0.33 H new ATOM 0 HG SER A 96 5.527 -1.026 -2.833 1.00 35.24 H new ATOM 1433 N LEU A 97 2.513 2.532 -2.984 1.00 11.43 N ATOM 1434 CA LEU A 97 1.370 3.395 -3.269 1.00 71.45 C ATOM 1435 C LEU A 97 1.740 4.864 -3.092 1.00 24.14 C ATOM 1436 O LEU A 97 1.461 5.700 -3.959 1.00 33.25 O ATOM 1437 CB LEU A 97 0.194 3.054 -2.348 1.00 34.44 C ATOM 1438 CG LEU A 97 -0.334 1.623 -2.451 1.00 25.43 C ATOM 1439 CD1 LEU A 97 -1.487 1.416 -1.484 1.00 2.21 C ATOM 1440 CD2 LEU A 97 -0.770 1.317 -3.874 1.00 45.44 C ATOM 0 H LEU A 97 2.378 1.902 -2.194 1.00 11.43 H new ATOM 0 HA LEU A 97 1.077 3.225 -4.305 1.00 71.45 H new ATOM 0 HB2 LEU A 97 0.499 3.236 -1.317 1.00 34.44 H new ATOM 0 HB3 LEU A 97 -0.625 3.740 -2.565 1.00 34.44 H new ATOM 0 HG LEU A 97 0.470 0.937 -2.184 1.00 25.43 H new ATOM 0 HD11 LEU A 97 -1.853 0.393 -1.568 1.00 2.21 H new ATOM 0 HD12 LEU A 97 -1.144 1.596 -0.465 1.00 2.21 H new ATOM 0 HD13 LEU A 97 -2.292 2.110 -1.724 1.00 2.21 H new ATOM 0 HD21 LEU A 97 -1.143 0.294 -3.928 1.00 45.44 H new ATOM 0 HD22 LEU A 97 -1.560 2.007 -4.169 1.00 45.44 H new ATOM 0 HD23 LEU A 97 0.080 1.429 -4.547 1.00 45.44 H new ATOM 1452 N ARG A 98 2.387 5.165 -1.970 1.00 15.44 N ATOM 1453 CA ARG A 98 2.731 6.539 -1.621 1.00 72.12 C ATOM 1454 C ARG A 98 3.821 7.083 -2.531 1.00 10.22 C ATOM 1455 O ARG A 98 3.789 8.244 -2.914 1.00 40.21 O ATOM 1456 CB ARG A 98 3.183 6.625 -0.166 1.00 44.30 C ATOM 1457 CG ARG A 98 2.122 6.186 0.823 1.00 51.45 C ATOM 1458 CD ARG A 98 2.636 6.260 2.246 1.00 75.24 C ATOM 1459 NE ARG A 98 1.728 5.612 3.186 1.00 44.10 N ATOM 1460 CZ ARG A 98 1.964 4.422 3.738 1.00 32.33 C ATOM 1461 NH1 ARG A 98 3.098 3.786 3.478 1.00 4.53 N ATOM 1462 NH2 ARG A 98 1.078 3.872 4.557 1.00 61.55 N ATOM 0 H ARG A 98 2.685 4.472 -1.284 1.00 15.44 H new ATOM 0 HA ARG A 98 1.836 7.147 -1.754 1.00 72.12 H new ATOM 0 HB2 ARG A 98 4.071 6.007 -0.032 1.00 44.30 H new ATOM 0 HB3 ARG A 98 3.473 7.652 0.056 1.00 44.30 H new ATOM 0 HG2 ARG A 98 1.240 6.818 0.719 1.00 51.45 H new ATOM 0 HG3 ARG A 98 1.811 5.166 0.598 1.00 51.45 H new ATOM 0 HD2 ARG A 98 3.616 5.787 2.303 1.00 75.24 H new ATOM 0 HD3 ARG A 98 2.769 7.304 2.530 1.00 75.24 H new ATOM 0 HE ARG A 98 0.865 6.096 3.434 1.00 44.10 H new ATOM 0 HH11 ARG A 98 3.788 4.208 2.856 1.00 4.53 H new ATOM 0 HH12 ARG A 98 3.280 2.875 3.900 1.00 4.53 H new ATOM 0 HH21 ARG A 98 0.208 4.360 4.769 1.00 61.55 H new ATOM 0 HH22 ARG A 98 1.267 2.961 4.975 1.00 61.55 H new ATOM 1476 N SER A 99 4.772 6.240 -2.893 1.00 53.54 N ATOM 1477 CA SER A 99 5.873 6.664 -3.748 1.00 63.50 C ATOM 1478 C SER A 99 5.451 6.716 -5.220 1.00 13.13 C ATOM 1479 O SER A 99 6.280 6.906 -6.110 1.00 22.14 O ATOM 1480 CB SER A 99 7.055 5.716 -3.568 1.00 2.35 C ATOM 1481 OG SER A 99 7.442 5.653 -2.207 1.00 63.15 O ATOM 0 H SER A 99 4.807 5.260 -2.611 1.00 53.54 H new ATOM 0 HA SER A 99 6.167 7.672 -3.454 1.00 63.50 H new ATOM 0 HB2 SER A 99 6.787 4.721 -3.922 1.00 2.35 H new ATOM 0 HB3 SER A 99 7.895 6.054 -4.175 1.00 2.35 H new ATOM 0 HG SER A 99 6.816 5.081 -1.715 1.00 63.15 H new ATOM 1487 N LEU A 100 4.160 6.566 -5.470 1.00 44.42 N ATOM 1488 CA LEU A 100 3.648 6.548 -6.827 1.00 1.43 C ATOM 1489 C LEU A 100 2.626 7.652 -7.034 1.00 21.50 C ATOM 1490 O LEU A 100 2.824 8.551 -7.845 1.00 31.31 O ATOM 1491 CB LEU A 100 3.005 5.198 -7.117 1.00 55.11 C ATOM 1492 CG LEU A 100 2.687 4.925 -8.590 1.00 25.31 C ATOM 1493 CD1 LEU A 100 3.965 4.906 -9.414 1.00 5.20 C ATOM 1494 CD2 LEU A 100 1.935 3.611 -8.742 1.00 54.03 C ATOM 0 H LEU A 100 3.448 6.455 -4.748 1.00 44.42 H new ATOM 0 HA LEU A 100 4.481 6.713 -7.510 1.00 1.43 H new ATOM 0 HB2 LEU A 100 3.669 4.413 -6.755 1.00 55.11 H new ATOM 0 HB3 LEU A 100 2.081 5.124 -6.544 1.00 55.11 H new ATOM 0 HG LEU A 100 2.049 5.729 -8.959 1.00 25.31 H new ATOM 0 HD11 LEU A 100 3.722 4.711 -10.458 1.00 5.20 H new ATOM 0 HD12 LEU A 100 4.465 5.871 -9.332 1.00 5.20 H new ATOM 0 HD13 LEU A 100 4.626 4.122 -9.043 1.00 5.20 H new ATOM 0 HD21 LEU A 100 1.719 3.435 -9.796 1.00 54.03 H new ATOM 0 HD22 LEU A 100 2.546 2.795 -8.356 1.00 54.03 H new ATOM 0 HD23 LEU A 100 1.001 3.660 -8.183 1.00 54.03 H new