USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 577 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 86 HIS : no HD1:sc= -0.0721 X(o=-0.072,f=0.37) USER MOD Set 1.2: A 89 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 76 THR OG1 : rot 73:sc= 1.28 USER MOD Set 2.2: A 92 TYR OH : rot -156:sc= 0.725 USER MOD Set 3.1: A 52 ASN : amide:sc= 0.66 K(o=1.4,f=-4.7!) USER MOD Set 3.2: A 56 LYS NZ :NH3+ -172:sc= 0.749 (180deg=-0.00859) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 154:sc= 0 (180deg=-0.505) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.197 USER MOD Single : A 45 GLN : amide:sc= 0.412 X(o=0.41,f=0) USER MOD Single : A 49 ASN : amide:sc=-0.00333 K(o=-0.0033,f=-1.2) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 146:sc= 0.803 (180deg=0.243) USER MOD Single : A 70 ASN : amide:sc= -0.0771 X(o=-0.077,f=-0.16) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0257 K(o=-0.026,f=-1) USER MOD Single : A 83 THR OG1 : rot -38:sc= 0.199 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00894) USER MOD Single : A 96 THR OG1 : rot 21:sc= 0.421 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -5.995 8.378 6.045 1.00 21.44 N ATOM 437 CA GLU A 28 -5.756 8.438 4.597 1.00 61.14 C ATOM 438 C GLU A 28 -4.502 9.258 4.306 1.00 64.03 C ATOM 439 O GLU A 28 -3.724 8.909 3.432 1.00 70.53 O ATOM 440 CB GLU A 28 -6.979 9.041 3.865 1.00 22.42 C ATOM 441 CG GLU A 28 -8.145 8.063 3.667 1.00 3.13 C ATOM 442 CD GLU A 28 -9.405 8.737 3.119 1.00 64.12 C ATOM 443 OE1 GLU A 28 -9.403 9.145 1.940 1.00 12.10 O ATOM 444 OE2 GLU A 28 -10.392 8.889 3.865 1.00 21.53 O ATOM 0 HA GLU A 28 -5.606 7.423 4.228 1.00 61.14 H new ATOM 0 HB2 GLU A 28 -7.336 9.903 4.429 1.00 22.42 H new ATOM 0 HB3 GLU A 28 -6.659 9.408 2.890 1.00 22.42 H new ATOM 0 HG2 GLU A 28 -7.836 7.272 2.983 1.00 3.13 H new ATOM 0 HG3 GLU A 28 -8.379 7.588 4.620 1.00 3.13 H new ATOM 451 N ASN A 29 -4.310 10.314 5.109 1.00 51.51 N ATOM 452 CA ASN A 29 -3.187 11.262 4.983 1.00 44.05 C ATOM 453 C ASN A 29 -1.865 10.539 5.262 1.00 21.41 C ATOM 454 O ASN A 29 -0.902 10.689 4.509 1.00 44.42 O ATOM 455 CB ASN A 29 -3.381 12.487 5.936 1.00 44.32 C ATOM 456 CG ASN A 29 -2.190 13.453 5.949 1.00 51.20 C ATOM 457 OD1 ASN A 29 -2.064 14.322 5.090 1.00 10.34 O ATOM 458 ND2 ASN A 29 -1.320 13.314 6.934 1.00 43.12 N ATOM 0 H ASN A 29 -4.940 10.540 5.879 1.00 51.51 H new ATOM 0 HA ASN A 29 -3.161 11.647 3.964 1.00 44.05 H new ATOM 0 HB2 ASN A 29 -4.276 13.032 5.635 1.00 44.32 H new ATOM 0 HB3 ASN A 29 -3.554 12.124 6.949 1.00 44.32 H new ATOM 0 HD21 ASN A 29 -0.516 13.938 6.996 1.00 43.12 H new ATOM 0 HD22 ASN A 29 -1.453 12.582 7.632 1.00 43.12 H new ATOM 465 N GLU A 30 -1.868 9.690 6.300 1.00 3.11 N ATOM 466 CA GLU A 30 -0.662 8.972 6.751 1.00 24.32 C ATOM 467 C GLU A 30 -0.313 7.852 5.753 1.00 22.21 C ATOM 468 O GLU A 30 0.837 7.756 5.317 1.00 23.30 O ATOM 469 CB GLU A 30 -0.859 8.415 8.186 1.00 4.22 C ATOM 470 CG GLU A 30 -0.843 9.481 9.315 1.00 53.34 C ATOM 471 CD GLU A 30 -1.299 8.908 10.663 1.00 23.54 C ATOM 472 OE1 GLU A 30 -0.469 8.760 11.584 1.00 13.23 O ATOM 473 OE2 GLU A 30 -2.496 8.571 10.795 1.00 65.41 O ATOM 0 H GLU A 30 -2.701 9.481 6.850 1.00 3.11 H new ATOM 0 HA GLU A 30 0.175 9.670 6.785 1.00 24.32 H new ATOM 0 HB2 GLU A 30 -1.809 7.882 8.225 1.00 4.22 H new ATOM 0 HB3 GLU A 30 -0.075 7.685 8.386 1.00 4.22 H new ATOM 0 HG2 GLU A 30 0.164 9.885 9.416 1.00 53.34 H new ATOM 0 HG3 GLU A 30 -1.492 10.311 9.037 1.00 53.34 H new ATOM 480 N LEU A 31 -1.331 7.059 5.343 1.00 3.43 N ATOM 481 CA LEU A 31 -1.135 5.948 4.344 1.00 74.43 C ATOM 482 C LEU A 31 -0.612 6.542 3.020 1.00 61.34 C ATOM 483 O LEU A 31 0.372 6.046 2.439 1.00 12.31 O ATOM 484 CB LEU A 31 -2.430 5.059 4.125 1.00 3.54 C ATOM 485 CG LEU A 31 -2.301 3.831 3.092 1.00 32.15 C ATOM 486 CD1 LEU A 31 -3.203 2.616 3.442 1.00 72.22 C ATOM 487 CD2 LEU A 31 -2.592 4.232 1.616 1.00 54.35 C ATOM 0 H LEU A 31 -2.290 7.155 5.676 1.00 3.43 H new ATOM 0 HA LEU A 31 -0.393 5.262 4.751 1.00 74.43 H new ATOM 0 HB2 LEU A 31 -2.735 4.659 5.092 1.00 3.54 H new ATOM 0 HB3 LEU A 31 -3.234 5.709 3.781 1.00 3.54 H new ATOM 0 HG LEU A 31 -1.256 3.538 3.192 1.00 32.15 H new ATOM 0 HD11 LEU A 31 -3.059 1.831 2.700 1.00 72.22 H new ATOM 0 HD12 LEU A 31 -2.936 2.237 4.428 1.00 72.22 H new ATOM 0 HD13 LEU A 31 -4.248 2.927 3.444 1.00 72.22 H new ATOM 0 HD21 LEU A 31 -2.487 3.357 0.974 1.00 54.35 H new ATOM 0 HD22 LEU A 31 -3.608 4.620 1.538 1.00 54.35 H new ATOM 0 HD23 LEU A 31 -1.885 5.000 1.301 1.00 54.35 H new ATOM 499 N ARG A 32 -1.217 7.671 2.613 1.00 74.51 N ATOM 500 CA ARG A 32 -0.960 8.287 1.307 1.00 11.23 C ATOM 501 C ARG A 32 0.379 9.073 1.335 1.00 21.43 C ATOM 502 O ARG A 32 0.975 9.312 0.285 1.00 22.44 O ATOM 503 CB ARG A 32 -2.165 9.193 0.900 1.00 23.32 C ATOM 504 CG ARG A 32 -2.452 9.268 -0.613 1.00 62.12 C ATOM 505 CD ARG A 32 -3.751 10.025 -0.936 1.00 65.12 C ATOM 506 NE ARG A 32 -4.062 9.954 -2.368 1.00 71.02 N ATOM 507 CZ ARG A 32 -5.280 10.058 -2.916 1.00 63.12 C ATOM 508 NH1 ARG A 32 -6.362 10.266 -2.161 1.00 5.41 N ATOM 509 NH2 ARG A 32 -5.403 9.928 -4.227 1.00 51.43 N ATOM 0 H ARG A 32 -1.896 8.178 3.181 1.00 74.51 H new ATOM 0 HA ARG A 32 -0.861 7.509 0.550 1.00 11.23 H new ATOM 0 HB2 ARG A 32 -3.059 8.828 1.405 1.00 23.32 H new ATOM 0 HB3 ARG A 32 -1.980 10.202 1.268 1.00 23.32 H new ATOM 0 HG2 ARG A 32 -1.617 9.759 -1.113 1.00 62.12 H new ATOM 0 HG3 ARG A 32 -2.516 8.258 -1.017 1.00 62.12 H new ATOM 0 HD2 ARG A 32 -4.575 9.602 -0.361 1.00 65.12 H new ATOM 0 HD3 ARG A 32 -3.653 11.068 -0.633 1.00 65.12 H new ATOM 0 HE ARG A 32 -3.278 9.812 -3.005 1.00 71.02 H new ATOM 0 HH11 ARG A 32 -6.269 10.348 -1.149 1.00 5.41 H new ATOM 0 HH12 ARG A 32 -7.281 10.342 -2.597 1.00 5.41 H new ATOM 0 HH21 ARG A 32 -4.579 9.752 -4.802 1.00 51.43 H new ATOM 0 HH22 ARG A 32 -6.322 10.004 -4.663 1.00 51.43 H new ATOM 523 N SER A 33 0.832 9.449 2.565 1.00 62.33 N ATOM 524 CA SER A 33 2.115 10.148 2.798 1.00 2.24 C ATOM 525 C SER A 33 3.323 9.235 2.510 1.00 24.00 C ATOM 526 O SER A 33 4.231 9.618 1.755 1.00 34.45 O ATOM 527 CB SER A 33 2.174 10.669 4.256 1.00 51.43 C ATOM 528 OG SER A 33 3.343 11.426 4.500 1.00 22.10 O ATOM 0 H SER A 33 0.309 9.271 3.422 1.00 62.33 H new ATOM 0 HA SER A 33 2.167 10.990 2.108 1.00 2.24 H new ATOM 0 HB2 SER A 33 1.296 11.282 4.458 1.00 51.43 H new ATOM 0 HB3 SER A 33 2.138 9.825 4.945 1.00 51.43 H new ATOM 0 HG SER A 33 3.343 11.738 5.429 1.00 22.10 H new ATOM 534 N MET A 34 3.332 8.028 3.120 1.00 72.54 N ATOM 535 CA MET A 34 4.408 7.042 2.881 1.00 34.42 C ATOM 536 C MET A 34 4.326 6.499 1.438 1.00 43.41 C ATOM 537 O MET A 34 5.366 6.275 0.793 1.00 44.41 O ATOM 538 CB MET A 34 4.388 5.857 3.909 1.00 11.45 C ATOM 539 CG MET A 34 4.727 6.205 5.385 1.00 71.14 C ATOM 540 SD MET A 34 3.320 6.803 6.342 1.00 21.41 S ATOM 541 CE MET A 34 2.414 5.281 6.643 1.00 43.30 C ATOM 0 H MET A 34 2.614 7.716 3.774 1.00 72.54 H new ATOM 0 HA MET A 34 5.353 7.566 3.021 1.00 34.42 H new ATOM 0 HB2 MET A 34 3.397 5.404 3.886 1.00 11.45 H new ATOM 0 HB3 MET A 34 5.093 5.099 3.568 1.00 11.45 H new ATOM 0 HG2 MET A 34 5.134 5.319 5.872 1.00 71.14 H new ATOM 0 HG3 MET A 34 5.510 6.963 5.398 1.00 71.14 H new ATOM 0 HE1 MET A 34 1.823 5.383 7.553 1.00 43.30 H new ATOM 0 HE2 MET A 34 1.752 5.079 5.801 1.00 43.30 H new ATOM 0 HE3 MET A 34 3.117 4.456 6.758 1.00 43.30 H new ATOM 551 N LEU A 35 3.081 6.326 0.923 1.00 30.12 N ATOM 552 CA LEU A 35 2.865 5.842 -0.470 1.00 15.44 C ATOM 553 C LEU A 35 3.406 6.887 -1.478 1.00 15.34 C ATOM 554 O LEU A 35 3.980 6.508 -2.507 1.00 2.00 O ATOM 555 CB LEU A 35 1.354 5.478 -0.748 1.00 52.35 C ATOM 556 CG LEU A 35 1.005 4.560 -1.991 1.00 4.20 C ATOM 557 CD1 LEU A 35 -0.403 3.941 -1.864 1.00 4.40 C ATOM 558 CD2 LEU A 35 1.098 5.327 -3.316 1.00 23.44 C ATOM 0 H LEU A 35 2.222 6.511 1.441 1.00 30.12 H new ATOM 0 HA LEU A 35 3.423 4.915 -0.600 1.00 15.44 H new ATOM 0 HB2 LEU A 35 0.963 4.988 0.144 1.00 52.35 H new ATOM 0 HB3 LEU A 35 0.806 6.413 -0.864 1.00 52.35 H new ATOM 0 HG LEU A 35 1.748 3.762 -1.995 1.00 4.20 H new ATOM 0 HD11 LEU A 35 -0.606 3.318 -2.735 1.00 4.40 H new ATOM 0 HD12 LEU A 35 -0.452 3.331 -0.962 1.00 4.40 H new ATOM 0 HD13 LEU A 35 -1.146 4.736 -1.805 1.00 4.40 H new ATOM 0 HD21 LEU A 35 0.851 4.659 -4.141 1.00 23.44 H new ATOM 0 HD22 LEU A 35 0.398 6.162 -3.303 1.00 23.44 H new ATOM 0 HD23 LEU A 35 2.112 5.706 -3.447 1.00 23.44 H new ATOM 570 N ALA A 36 3.256 8.189 -1.142 1.00 52.13 N ATOM 571 CA ALA A 36 3.772 9.299 -1.964 1.00 53.50 C ATOM 572 C ALA A 36 5.280 9.163 -2.205 1.00 54.34 C ATOM 573 O ALA A 36 5.728 9.182 -3.357 1.00 64.14 O ATOM 574 CB ALA A 36 3.469 10.651 -1.314 1.00 31.24 C ATOM 0 H ALA A 36 2.775 8.495 -0.296 1.00 52.13 H new ATOM 0 HA ALA A 36 3.264 9.250 -2.927 1.00 53.50 H new ATOM 0 HB1 ALA A 36 3.860 11.452 -1.941 1.00 31.24 H new ATOM 0 HB2 ALA A 36 2.391 10.769 -1.205 1.00 31.24 H new ATOM 0 HB3 ALA A 36 3.940 10.696 -0.332 1.00 31.24 H new ATOM 580 N THR A 37 6.029 8.971 -1.100 1.00 54.42 N ATOM 581 CA THR A 37 7.487 8.761 -1.128 1.00 53.43 C ATOM 582 C THR A 37 7.845 7.511 -1.953 1.00 10.13 C ATOM 583 O THR A 37 8.799 7.522 -2.746 1.00 74.42 O ATOM 584 CB THR A 37 8.045 8.618 0.328 1.00 45.31 C ATOM 585 OG1 THR A 37 7.585 9.717 1.124 1.00 31.33 O ATOM 586 CG2 THR A 37 9.586 8.574 0.377 1.00 42.21 C ATOM 0 H THR A 37 5.635 8.958 -0.159 1.00 54.42 H new ATOM 0 HA THR A 37 7.945 9.630 -1.600 1.00 53.43 H new ATOM 0 HB THR A 37 7.677 7.670 0.720 1.00 45.31 H new ATOM 0 HG1 THR A 37 7.932 9.628 2.036 1.00 31.33 H new ATOM 0 HG21 THR A 37 9.914 8.474 1.412 1.00 42.21 H new ATOM 0 HG22 THR A 37 9.944 7.722 -0.201 1.00 42.21 H new ATOM 0 HG23 THR A 37 9.990 9.494 -0.045 1.00 42.21 H new ATOM 594 N ALA A 38 7.023 6.458 -1.790 1.00 20.22 N ATOM 595 CA ALA A 38 7.237 5.166 -2.465 1.00 75.51 C ATOM 596 C ALA A 38 7.103 5.287 -4.006 1.00 23.42 C ATOM 597 O ALA A 38 7.824 4.605 -4.732 1.00 10.05 O ATOM 598 CB ALA A 38 6.297 4.092 -1.892 1.00 44.21 C ATOM 0 H ALA A 38 6.198 6.479 -1.191 1.00 20.22 H new ATOM 0 HA ALA A 38 8.262 4.854 -2.267 1.00 75.51 H new ATOM 0 HB1 ALA A 38 6.471 3.146 -2.404 1.00 44.21 H new ATOM 0 HB2 ALA A 38 6.491 3.969 -0.827 1.00 44.21 H new ATOM 0 HB3 ALA A 38 5.261 4.399 -2.039 1.00 44.21 H new ATOM 604 N LEU A 39 6.207 6.185 -4.508 1.00 40.13 N ATOM 605 CA LEU A 39 6.089 6.441 -5.973 1.00 52.15 C ATOM 606 C LEU A 39 7.224 7.367 -6.458 1.00 72.13 C ATOM 607 O LEU A 39 7.686 7.241 -7.597 1.00 32.50 O ATOM 608 CB LEU A 39 4.713 7.070 -6.382 1.00 40.35 C ATOM 609 CG LEU A 39 3.380 6.346 -5.966 1.00 30.44 C ATOM 610 CD1 LEU A 39 2.156 7.053 -6.594 1.00 61.34 C ATOM 611 CD2 LEU A 39 3.356 4.825 -6.288 1.00 23.03 C ATOM 0 H LEU A 39 5.568 6.733 -3.932 1.00 40.13 H new ATOM 0 HA LEU A 39 6.163 5.465 -6.452 1.00 52.15 H new ATOM 0 HB2 LEU A 39 4.679 8.079 -5.971 1.00 40.35 H new ATOM 0 HB3 LEU A 39 4.707 7.168 -7.468 1.00 40.35 H new ATOM 0 HG LEU A 39 3.330 6.421 -4.880 1.00 30.44 H new ATOM 0 HD11 LEU A 39 1.244 6.537 -6.294 1.00 61.34 H new ATOM 0 HD12 LEU A 39 2.117 8.087 -6.251 1.00 61.34 H new ATOM 0 HD13 LEU A 39 2.243 7.034 -7.680 1.00 61.34 H new ATOM 0 HD21 LEU A 39 2.403 4.401 -5.970 1.00 23.03 H new ATOM 0 HD22 LEU A 39 3.479 4.678 -7.361 1.00 23.03 H new ATOM 0 HD23 LEU A 39 4.169 4.328 -5.759 1.00 23.03 H new ATOM 623 N GLU A 40 7.662 8.300 -5.586 1.00 52.34 N ATOM 624 CA GLU A 40 8.778 9.233 -5.889 1.00 51.33 C ATOM 625 C GLU A 40 10.108 8.472 -6.042 1.00 65.02 C ATOM 626 O GLU A 40 10.996 8.903 -6.783 1.00 10.01 O ATOM 627 CB GLU A 40 8.895 10.340 -4.799 1.00 31.01 C ATOM 628 CG GLU A 40 7.691 11.303 -4.761 1.00 32.53 C ATOM 629 CD GLU A 40 7.760 12.338 -3.630 1.00 10.14 C ATOM 630 OE1 GLU A 40 8.042 13.534 -3.905 1.00 4.35 O ATOM 631 OE2 GLU A 40 7.535 11.961 -2.458 1.00 3.14 O ATOM 0 H GLU A 40 7.258 8.431 -4.658 1.00 52.34 H new ATOM 0 HA GLU A 40 8.556 9.719 -6.839 1.00 51.33 H new ATOM 0 HB2 GLU A 40 9.001 9.867 -3.823 1.00 31.01 H new ATOM 0 HB3 GLU A 40 9.804 10.916 -4.975 1.00 31.01 H new ATOM 0 HG2 GLU A 40 7.626 11.826 -5.715 1.00 32.53 H new ATOM 0 HG3 GLU A 40 6.776 10.721 -4.653 1.00 32.53 H new ATOM 638 N LYS A 41 10.221 7.331 -5.346 1.00 62.24 N ATOM 639 CA LYS A 41 11.392 6.437 -5.435 1.00 2.05 C ATOM 640 C LYS A 41 11.088 5.251 -6.367 1.00 61.51 C ATOM 641 O LYS A 41 9.927 5.001 -6.706 1.00 21.23 O ATOM 642 CB LYS A 41 11.766 5.931 -4.019 1.00 14.22 C ATOM 643 CG LYS A 41 12.062 7.059 -2.999 1.00 62.01 C ATOM 644 CD LYS A 41 13.278 7.969 -3.449 1.00 43.33 C ATOM 645 CE LYS A 41 13.563 9.267 -2.615 1.00 2.20 C ATOM 646 NZ LYS A 41 14.741 10.004 -3.154 1.00 60.42 N ATOM 0 H LYS A 41 9.502 6.999 -4.703 1.00 62.24 H new ATOM 0 HA LYS A 41 12.235 6.990 -5.849 1.00 2.05 H new ATOM 0 HB2 LYS A 41 10.950 5.317 -3.638 1.00 14.22 H new ATOM 0 HB3 LYS A 41 12.642 5.286 -4.095 1.00 14.22 H new ATOM 0 HG2 LYS A 41 11.173 7.678 -2.876 1.00 62.01 H new ATOM 0 HG3 LYS A 41 12.281 6.619 -2.026 1.00 62.01 H new ATOM 0 HD2 LYS A 41 14.179 7.356 -3.435 1.00 43.33 H new ATOM 0 HD3 LYS A 41 13.110 8.265 -4.484 1.00 43.33 H new ATOM 0 HE2 LYS A 41 12.686 9.914 -2.633 1.00 2.20 H new ATOM 0 HE3 LYS A 41 13.742 9.001 -1.573 1.00 2.20 H new ATOM 0 HZ1 LYS A 41 14.907 10.858 -2.584 1.00 60.42 H new ATOM 0 HZ2 LYS A 41 15.581 9.392 -3.114 1.00 60.42 H new ATOM 0 HZ3 LYS A 41 14.558 10.277 -4.141 1.00 60.42 H new ATOM 660 N ASP A 42 12.148 4.533 -6.791 1.00 2.45 N ATOM 661 CA ASP A 42 12.009 3.275 -7.551 1.00 42.20 C ATOM 662 C ASP A 42 11.526 2.169 -6.598 1.00 63.22 C ATOM 663 O ASP A 42 12.089 2.003 -5.508 1.00 74.04 O ATOM 664 CB ASP A 42 13.353 2.858 -8.223 1.00 51.52 C ATOM 665 CG ASP A 42 13.838 3.863 -9.278 1.00 42.01 C ATOM 666 OD1 ASP A 42 13.472 3.728 -10.468 1.00 22.43 O ATOM 667 OD2 ASP A 42 14.567 4.808 -8.920 1.00 62.13 O ATOM 0 H ASP A 42 13.115 4.806 -6.618 1.00 2.45 H new ATOM 0 HA ASP A 42 11.282 3.427 -8.348 1.00 42.20 H new ATOM 0 HB2 ASP A 42 14.118 2.750 -7.454 1.00 51.52 H new ATOM 0 HB3 ASP A 42 13.231 1.881 -8.690 1.00 51.52 H new ATOM 672 N ILE A 43 10.480 1.435 -6.998 1.00 62.22 N ATOM 673 CA ILE A 43 9.909 0.338 -6.189 1.00 54.11 C ATOM 674 C ILE A 43 9.666 -0.907 -7.057 1.00 31.34 C ATOM 675 O ILE A 43 9.723 -0.842 -8.295 1.00 22.41 O ATOM 676 CB ILE A 43 8.591 0.770 -5.433 1.00 10.12 C ATOM 677 CG1 ILE A 43 7.583 1.522 -6.360 1.00 71.21 C ATOM 678 CG2 ILE A 43 8.907 1.594 -4.167 1.00 72.44 C ATOM 679 CD1 ILE A 43 6.235 1.832 -5.703 1.00 22.22 C ATOM 0 H ILE A 43 10.003 1.580 -7.888 1.00 62.22 H new ATOM 0 HA ILE A 43 10.643 0.089 -5.422 1.00 54.11 H new ATOM 0 HB ILE A 43 8.101 -0.152 -5.120 1.00 10.12 H new ATOM 0 HG12 ILE A 43 8.037 2.457 -6.689 1.00 71.21 H new ATOM 0 HG13 ILE A 43 7.410 0.921 -7.252 1.00 71.21 H new ATOM 0 HG21 ILE A 43 7.976 1.873 -3.673 1.00 72.44 H new ATOM 0 HG22 ILE A 43 9.514 0.997 -3.486 1.00 72.44 H new ATOM 0 HG23 ILE A 43 9.454 2.494 -4.446 1.00 72.44 H new ATOM 0 HD11 ILE A 43 5.595 2.354 -6.414 1.00 22.22 H new ATOM 0 HD12 ILE A 43 5.756 0.901 -5.399 1.00 22.22 H new ATOM 0 HD13 ILE A 43 6.393 2.461 -4.827 1.00 22.22 H new ATOM 691 N SER A 44 9.388 -2.029 -6.381 1.00 14.02 N ATOM 692 CA SER A 44 9.330 -3.366 -6.995 1.00 11.20 C ATOM 693 C SER A 44 8.040 -3.530 -7.814 1.00 72.41 C ATOM 694 O SER A 44 6.996 -3.119 -7.345 1.00 42.41 O ATOM 695 CB SER A 44 9.429 -4.434 -5.878 1.00 33.51 C ATOM 696 OG SER A 44 8.453 -4.239 -4.864 1.00 34.23 O ATOM 0 H SER A 44 9.194 -2.036 -5.380 1.00 14.02 H new ATOM 0 HA SER A 44 10.166 -3.493 -7.683 1.00 11.20 H new ATOM 0 HB2 SER A 44 9.306 -5.426 -6.313 1.00 33.51 H new ATOM 0 HB3 SER A 44 10.424 -4.402 -5.434 1.00 33.51 H new ATOM 0 HG SER A 44 8.549 -4.934 -4.180 1.00 34.23 H new ATOM 702 N GLN A 45 8.139 -4.162 -9.010 1.00 13.11 N ATOM 703 CA GLN A 45 7.031 -4.282 -10.004 1.00 71.11 C ATOM 704 C GLN A 45 5.652 -4.664 -9.371 1.00 23.03 C ATOM 705 O GLN A 45 4.617 -4.069 -9.708 1.00 74.03 O ATOM 706 CB GLN A 45 7.445 -5.303 -11.112 1.00 42.31 C ATOM 707 CG GLN A 45 6.427 -5.495 -12.256 1.00 51.35 C ATOM 708 CD GLN A 45 6.873 -6.509 -13.319 1.00 5.51 C ATOM 709 OE1 GLN A 45 7.510 -6.149 -14.316 1.00 51.14 O ATOM 710 NE2 GLN A 45 6.576 -7.785 -13.104 1.00 2.25 N ATOM 0 H GLN A 45 9.001 -4.611 -9.320 1.00 13.11 H new ATOM 0 HA GLN A 45 6.879 -3.295 -10.440 1.00 71.11 H new ATOM 0 HB2 GLN A 45 8.392 -4.980 -11.543 1.00 42.31 H new ATOM 0 HB3 GLN A 45 7.623 -6.270 -10.642 1.00 42.31 H new ATOM 0 HG2 GLN A 45 5.477 -5.820 -11.833 1.00 51.35 H new ATOM 0 HG3 GLN A 45 6.249 -4.533 -12.737 1.00 51.35 H new ATOM 0 HE21 GLN A 45 6.049 -8.053 -12.273 1.00 2.25 H new ATOM 0 HE22 GLN A 45 6.875 -8.497 -13.770 1.00 2.25 H new ATOM 719 N GLU A 46 5.673 -5.585 -8.394 1.00 21.05 N ATOM 720 CA GLU A 46 4.446 -6.218 -7.846 1.00 64.21 C ATOM 721 C GLU A 46 3.818 -5.399 -6.705 1.00 45.22 C ATOM 722 O GLU A 46 2.592 -5.403 -6.539 1.00 14.54 O ATOM 723 CB GLU A 46 4.740 -7.664 -7.371 1.00 31.14 C ATOM 724 CG GLU A 46 5.230 -8.629 -8.478 1.00 62.52 C ATOM 725 CD GLU A 46 4.317 -8.651 -9.720 1.00 52.43 C ATOM 726 OE1 GLU A 46 3.227 -9.260 -9.660 1.00 54.41 O ATOM 727 OE2 GLU A 46 4.680 -8.059 -10.756 1.00 21.03 O ATOM 0 H GLU A 46 6.534 -5.916 -7.958 1.00 21.05 H new ATOM 0 HA GLU A 46 3.720 -6.249 -8.658 1.00 64.21 H new ATOM 0 HB2 GLU A 46 5.493 -7.626 -6.584 1.00 31.14 H new ATOM 0 HB3 GLU A 46 3.834 -8.076 -6.926 1.00 31.14 H new ATOM 0 HG2 GLU A 46 6.237 -8.341 -8.781 1.00 62.52 H new ATOM 0 HG3 GLU A 46 5.297 -9.637 -8.068 1.00 62.52 H new ATOM 734 N GLU A 47 4.652 -4.715 -5.911 1.00 55.31 N ATOM 735 CA GLU A 47 4.179 -3.860 -4.800 1.00 11.10 C ATOM 736 C GLU A 47 3.836 -2.464 -5.348 1.00 3.22 C ATOM 737 O GLU A 47 2.944 -1.795 -4.835 1.00 1.11 O ATOM 738 CB GLU A 47 5.204 -3.883 -3.605 1.00 23.42 C ATOM 739 CG GLU A 47 5.345 -2.601 -2.742 1.00 63.24 C ATOM 740 CD GLU A 47 6.460 -1.647 -3.229 1.00 22.05 C ATOM 741 OE1 GLU A 47 6.984 -0.863 -2.413 1.00 74.34 O ATOM 742 OE2 GLU A 47 6.851 -1.718 -4.420 1.00 33.52 O ATOM 0 H GLU A 47 5.667 -4.734 -6.014 1.00 55.31 H new ATOM 0 HA GLU A 47 3.256 -4.249 -4.370 1.00 11.10 H new ATOM 0 HB2 GLU A 47 4.926 -4.703 -2.942 1.00 23.42 H new ATOM 0 HB3 GLU A 47 6.187 -4.121 -4.012 1.00 23.42 H new ATOM 0 HG2 GLU A 47 4.395 -2.066 -2.742 1.00 63.24 H new ATOM 0 HG3 GLU A 47 5.549 -2.888 -1.710 1.00 63.24 H new ATOM 749 N ARG A 48 4.529 -2.069 -6.438 1.00 52.40 N ATOM 750 CA ARG A 48 4.168 -0.907 -7.261 1.00 55.35 C ATOM 751 C ARG A 48 2.767 -1.122 -7.851 1.00 73.05 C ATOM 752 O ARG A 48 1.940 -0.205 -7.858 1.00 2.15 O ATOM 753 CB ARG A 48 5.215 -0.670 -8.390 1.00 2.21 C ATOM 754 CG ARG A 48 4.984 0.631 -9.185 1.00 73.31 C ATOM 755 CD ARG A 48 6.002 0.880 -10.319 1.00 25.00 C ATOM 756 NE ARG A 48 5.665 2.114 -11.056 1.00 73.04 N ATOM 757 CZ ARG A 48 6.399 2.680 -12.030 1.00 12.05 C ATOM 758 NH1 ARG A 48 7.553 2.135 -12.429 1.00 60.52 N ATOM 759 NH2 ARG A 48 5.963 3.805 -12.593 1.00 75.32 N ATOM 0 H ARG A 48 5.362 -2.556 -6.770 1.00 52.40 H new ATOM 0 HA ARG A 48 4.162 -0.016 -6.633 1.00 55.35 H new ATOM 0 HB2 ARG A 48 6.212 -0.644 -7.950 1.00 2.21 H new ATOM 0 HB3 ARG A 48 5.192 -1.515 -9.078 1.00 2.21 H new ATOM 0 HG2 ARG A 48 3.982 0.607 -9.613 1.00 73.31 H new ATOM 0 HG3 ARG A 48 5.016 1.474 -8.495 1.00 73.31 H new ATOM 0 HD2 ARG A 48 7.006 0.961 -9.903 1.00 25.00 H new ATOM 0 HD3 ARG A 48 6.008 0.031 -11.003 1.00 25.00 H new ATOM 0 HE ARG A 48 4.794 2.581 -10.803 1.00 73.04 H new ATOM 0 HH11 ARG A 48 7.889 1.276 -11.993 1.00 60.52 H new ATOM 0 HH12 ARG A 48 8.097 2.578 -13.169 1.00 60.52 H new ATOM 0 HH21 ARG A 48 5.086 4.223 -12.284 1.00 75.32 H new ATOM 0 HH22 ARG A 48 6.506 4.249 -13.333 1.00 75.32 H new ATOM 773 N ASN A 49 2.521 -2.370 -8.311 1.00 14.23 N ATOM 774 CA ASN A 49 1.208 -2.812 -8.797 1.00 75.25 C ATOM 775 C ASN A 49 0.147 -2.677 -7.677 1.00 45.42 C ATOM 776 O ASN A 49 -0.884 -2.053 -7.890 1.00 64.51 O ATOM 777 CB ASN A 49 1.299 -4.280 -9.320 1.00 12.42 C ATOM 778 CG ASN A 49 0.110 -4.741 -10.185 1.00 24.40 C ATOM 779 OD1 ASN A 49 -1.026 -4.303 -10.020 1.00 22.15 O ATOM 780 ND2 ASN A 49 0.370 -5.634 -11.126 1.00 53.22 N ATOM 0 H ASN A 49 3.236 -3.097 -8.353 1.00 14.23 H new ATOM 0 HA ASN A 49 0.900 -2.175 -9.626 1.00 75.25 H new ATOM 0 HB2 ASN A 49 2.214 -4.386 -9.902 1.00 12.42 H new ATOM 0 HB3 ASN A 49 1.387 -4.949 -8.464 1.00 12.42 H new ATOM 0 HD21 ASN A 49 -0.379 -5.971 -11.730 1.00 53.22 H new ATOM 0 HD22 ASN A 49 1.320 -5.985 -11.247 1.00 53.22 H new ATOM 787 N ALA A 50 0.458 -3.205 -6.471 1.00 33.15 N ATOM 788 CA ALA A 50 -0.482 -3.240 -5.322 1.00 52.51 C ATOM 789 C ALA A 50 -0.881 -1.834 -4.820 1.00 31.43 C ATOM 790 O ALA A 50 -2.054 -1.591 -4.504 1.00 22.12 O ATOM 791 CB ALA A 50 0.119 -4.059 -4.171 1.00 13.22 C ATOM 0 H ALA A 50 1.367 -3.619 -6.265 1.00 33.15 H new ATOM 0 HA ALA A 50 -1.395 -3.716 -5.680 1.00 52.51 H new ATOM 0 HB1 ALA A 50 -0.579 -4.077 -3.334 1.00 13.22 H new ATOM 0 HB2 ALA A 50 0.307 -5.078 -4.509 1.00 13.22 H new ATOM 0 HB3 ALA A 50 1.056 -3.604 -3.851 1.00 13.22 H new ATOM 797 N LEU A 51 0.102 -0.911 -4.747 1.00 21.02 N ATOM 798 CA LEU A 51 -0.138 0.462 -4.254 1.00 12.52 C ATOM 799 C LEU A 51 -0.839 1.315 -5.335 1.00 42.44 C ATOM 800 O LEU A 51 -1.631 2.213 -5.004 1.00 71.21 O ATOM 801 CB LEU A 51 1.185 1.151 -3.782 1.00 63.33 C ATOM 802 CG LEU A 51 2.069 0.433 -2.686 1.00 42.12 C ATOM 803 CD1 LEU A 51 3.261 1.328 -2.260 1.00 4.41 C ATOM 804 CD2 LEU A 51 1.267 0.002 -1.430 1.00 3.04 C ATOM 0 H LEU A 51 1.067 -1.092 -5.023 1.00 21.02 H new ATOM 0 HA LEU A 51 -0.795 0.386 -3.387 1.00 12.52 H new ATOM 0 HB2 LEU A 51 1.810 1.303 -4.662 1.00 63.33 H new ATOM 0 HB3 LEU A 51 0.925 2.139 -3.401 1.00 63.33 H new ATOM 0 HG LEU A 51 2.440 -0.477 -3.158 1.00 42.12 H new ATOM 0 HD11 LEU A 51 3.853 0.810 -1.505 1.00 4.41 H new ATOM 0 HD12 LEU A 51 3.885 1.540 -3.128 1.00 4.41 H new ATOM 0 HD13 LEU A 51 2.884 2.264 -1.847 1.00 4.41 H new ATOM 0 HD21 LEU A 51 1.936 -0.484 -0.720 1.00 3.04 H new ATOM 0 HD22 LEU A 51 0.820 0.880 -0.965 1.00 3.04 H new ATOM 0 HD23 LEU A 51 0.480 -0.694 -1.722 1.00 3.04 H new ATOM 816 N ASN A 52 -0.553 1.028 -6.626 1.00 40.22 N ATOM 817 CA ASN A 52 -1.247 1.674 -7.768 1.00 50.12 C ATOM 818 C ASN A 52 -2.730 1.243 -7.779 1.00 24.21 C ATOM 819 O ASN A 52 -3.620 2.068 -7.999 1.00 63.33 O ATOM 820 CB ASN A 52 -0.544 1.330 -9.112 1.00 23.52 C ATOM 821 CG ASN A 52 -0.967 2.203 -10.313 1.00 61.04 C ATOM 822 OD1 ASN A 52 -2.095 2.687 -10.413 1.00 4.23 O ATOM 823 ND2 ASN A 52 -0.048 2.419 -11.238 1.00 23.22 N ATOM 0 H ASN A 52 0.157 0.350 -6.905 1.00 40.22 H new ATOM 0 HA ASN A 52 -1.200 2.757 -7.650 1.00 50.12 H new ATOM 0 HB2 ASN A 52 0.533 1.424 -8.975 1.00 23.52 H new ATOM 0 HB3 ASN A 52 -0.745 0.286 -9.353 1.00 23.52 H new ATOM 0 HD21 ASN A 52 -0.268 2.995 -12.051 1.00 23.22 H new ATOM 0 HD22 ASN A 52 0.881 2.010 -11.139 1.00 23.22 H new ATOM 830 N ILE A 53 -2.966 -0.056 -7.469 1.00 52.32 N ATOM 831 CA ILE A 53 -4.317 -0.629 -7.282 1.00 60.01 C ATOM 832 C ILE A 53 -5.038 0.120 -6.137 1.00 12.44 C ATOM 833 O ILE A 53 -6.186 0.544 -6.288 1.00 53.54 O ATOM 834 CB ILE A 53 -4.266 -2.186 -6.977 1.00 54.20 C ATOM 835 CG1 ILE A 53 -3.831 -2.995 -8.248 1.00 31.21 C ATOM 836 CG2 ILE A 53 -5.618 -2.715 -6.416 1.00 60.10 C ATOM 837 CD1 ILE A 53 -3.621 -4.486 -8.010 1.00 20.22 C ATOM 0 H ILE A 53 -2.218 -0.737 -7.342 1.00 52.32 H new ATOM 0 HA ILE A 53 -4.870 -0.503 -8.213 1.00 60.01 H new ATOM 0 HB ILE A 53 -3.514 -2.337 -6.202 1.00 54.20 H new ATOM 0 HG12 ILE A 53 -4.589 -2.867 -9.021 1.00 31.21 H new ATOM 0 HG13 ILE A 53 -2.906 -2.568 -8.635 1.00 31.21 H new ATOM 0 HG21 ILE A 53 -5.538 -3.785 -6.222 1.00 60.10 H new ATOM 0 HG22 ILE A 53 -5.856 -2.194 -5.488 1.00 60.10 H new ATOM 0 HG23 ILE A 53 -6.409 -2.537 -7.145 1.00 60.10 H new ATOM 0 HD11 ILE A 53 -3.322 -4.965 -8.943 1.00 20.22 H new ATOM 0 HD12 ILE A 53 -2.841 -4.629 -7.263 1.00 20.22 H new ATOM 0 HD13 ILE A 53 -4.550 -4.932 -7.655 1.00 20.22 H new ATOM 849 N ALA A 54 -4.300 0.318 -5.027 1.00 31.24 N ATOM 850 CA ALA A 54 -4.809 0.960 -3.803 1.00 5.24 C ATOM 851 C ALA A 54 -5.337 2.386 -4.066 1.00 45.30 C ATOM 852 O ALA A 54 -6.476 2.697 -3.698 1.00 31.13 O ATOM 853 CB ALA A 54 -3.711 0.977 -2.734 1.00 32.14 C ATOM 0 H ALA A 54 -3.323 0.033 -4.956 1.00 31.24 H new ATOM 0 HA ALA A 54 -5.655 0.373 -3.446 1.00 5.24 H new ATOM 0 HB1 ALA A 54 -4.091 1.453 -1.830 1.00 32.14 H new ATOM 0 HB2 ALA A 54 -3.409 -0.045 -2.507 1.00 32.14 H new ATOM 0 HB3 ALA A 54 -2.851 1.536 -3.104 1.00 32.14 H new ATOM 859 N GLU A 55 -4.524 3.231 -4.751 1.00 65.12 N ATOM 860 CA GLU A 55 -4.902 4.651 -5.005 1.00 21.45 C ATOM 861 C GLU A 55 -5.999 4.752 -6.082 1.00 61.43 C ATOM 862 O GLU A 55 -6.935 5.557 -5.935 1.00 32.10 O ATOM 863 CB GLU A 55 -3.685 5.568 -5.363 1.00 72.25 C ATOM 864 CG GLU A 55 -2.984 6.245 -4.152 1.00 1.12 C ATOM 865 CD GLU A 55 -2.092 7.417 -4.579 1.00 32.21 C ATOM 866 OE1 GLU A 55 -2.513 8.586 -4.452 1.00 25.42 O ATOM 867 OE2 GLU A 55 -0.987 7.180 -5.092 1.00 20.20 O ATOM 0 H GLU A 55 -3.617 2.963 -5.133 1.00 65.12 H new ATOM 0 HA GLU A 55 -5.299 5.026 -4.062 1.00 21.45 H new ATOM 0 HB2 GLU A 55 -2.948 4.972 -5.901 1.00 72.25 H new ATOM 0 HB3 GLU A 55 -4.026 6.346 -6.046 1.00 72.25 H new ATOM 0 HG2 GLU A 55 -3.738 6.602 -3.451 1.00 1.12 H new ATOM 0 HG3 GLU A 55 -2.382 5.506 -3.624 1.00 1.12 H new ATOM 874 N LYS A 56 -5.913 3.904 -7.139 1.00 75.05 N ATOM 875 CA LYS A 56 -6.954 3.868 -8.195 1.00 52.04 C ATOM 876 C LYS A 56 -8.306 3.412 -7.595 1.00 2.02 C ATOM 877 O LYS A 56 -9.376 3.751 -8.111 1.00 71.22 O ATOM 878 CB LYS A 56 -6.573 2.968 -9.405 1.00 33.43 C ATOM 879 CG LYS A 56 -5.390 3.473 -10.270 1.00 54.22 C ATOM 880 CD LYS A 56 -5.615 4.895 -10.839 1.00 74.54 C ATOM 881 CE LYS A 56 -4.481 5.348 -11.783 1.00 41.52 C ATOM 882 NZ LYS A 56 -3.148 5.358 -11.125 1.00 74.31 N ATOM 0 H LYS A 56 -5.146 3.247 -7.281 1.00 75.05 H new ATOM 0 HA LYS A 56 -7.042 4.884 -8.580 1.00 52.04 H new ATOM 0 HB2 LYS A 56 -6.328 1.973 -9.032 1.00 33.43 H new ATOM 0 HB3 LYS A 56 -7.449 2.862 -10.046 1.00 33.43 H new ATOM 0 HG2 LYS A 56 -4.481 3.469 -9.669 1.00 54.22 H new ATOM 0 HG3 LYS A 56 -5.230 2.779 -11.095 1.00 54.22 H new ATOM 0 HD2 LYS A 56 -6.562 4.920 -11.378 1.00 74.54 H new ATOM 0 HD3 LYS A 56 -5.699 5.602 -10.014 1.00 74.54 H new ATOM 0 HE2 LYS A 56 -4.449 4.685 -12.648 1.00 41.52 H new ATOM 0 HE3 LYS A 56 -4.704 6.348 -12.156 1.00 41.52 H new ATOM 0 HZ1 LYS A 56 -2.451 5.797 -11.760 1.00 74.31 H new ATOM 0 HZ2 LYS A 56 -3.202 5.902 -10.241 1.00 74.31 H new ATOM 0 HZ3 LYS A 56 -2.858 4.382 -10.914 1.00 74.31 H new ATOM 896 N ALA A 57 -8.227 2.659 -6.477 1.00 61.10 N ATOM 897 CA ALA A 57 -9.395 2.171 -5.737 1.00 31.15 C ATOM 898 C ALA A 57 -9.925 3.224 -4.744 1.00 1.33 C ATOM 899 O ALA A 57 -11.119 3.210 -4.424 1.00 21.41 O ATOM 900 CB ALA A 57 -9.055 0.864 -5.020 1.00 44.00 C ATOM 0 H ALA A 57 -7.339 2.374 -6.064 1.00 61.10 H new ATOM 0 HA ALA A 57 -10.192 1.981 -6.456 1.00 31.15 H new ATOM 0 HB1 ALA A 57 -9.929 0.511 -4.474 1.00 44.00 H new ATOM 0 HB2 ALA A 57 -8.757 0.114 -5.753 1.00 44.00 H new ATOM 0 HB3 ALA A 57 -8.235 1.035 -4.322 1.00 44.00 H new ATOM 906 N LEU A 58 -9.028 4.115 -4.220 1.00 4.00 N ATOM 907 CA LEU A 58 -9.467 5.305 -3.430 1.00 15.11 C ATOM 908 C LEU A 58 -10.332 6.216 -4.328 1.00 11.52 C ATOM 909 O LEU A 58 -11.346 6.766 -3.881 1.00 25.34 O ATOM 910 CB LEU A 58 -8.270 6.169 -2.860 1.00 30.20 C ATOM 911 CG LEU A 58 -7.074 5.479 -2.014 1.00 62.52 C ATOM 912 CD1 LEU A 58 -6.087 6.511 -1.356 1.00 62.22 C ATOM 913 CD2 LEU A 58 -7.514 4.445 -0.926 1.00 0.21 C ATOM 0 H LEU A 58 -8.017 4.033 -4.328 1.00 4.00 H new ATOM 0 HA LEU A 58 -10.024 4.919 -2.577 1.00 15.11 H new ATOM 0 HB2 LEU A 58 -7.810 6.676 -3.708 1.00 30.20 H new ATOM 0 HB3 LEU A 58 -8.706 6.940 -2.225 1.00 30.20 H new ATOM 0 HG LEU A 58 -6.556 4.923 -2.795 1.00 62.52 H new ATOM 0 HD11 LEU A 58 -5.313 5.975 -0.806 1.00 62.22 H new ATOM 0 HD12 LEU A 58 -5.625 7.119 -2.134 1.00 62.22 H new ATOM 0 HD13 LEU A 58 -6.638 7.156 -0.671 1.00 62.22 H new ATOM 0 HD21 LEU A 58 -6.632 4.048 -0.424 1.00 0.21 H new ATOM 0 HD22 LEU A 58 -8.157 4.936 -0.196 1.00 0.21 H new ATOM 0 HD23 LEU A 58 -8.060 3.629 -1.399 1.00 0.21 H new ATOM 925 N ASP A 59 -9.908 6.350 -5.600 1.00 21.22 N ATOM 926 CA ASP A 59 -10.638 7.142 -6.612 1.00 45.01 C ATOM 927 C ASP A 59 -11.980 6.466 -6.963 1.00 14.52 C ATOM 928 O ASP A 59 -12.996 7.146 -7.105 1.00 32.43 O ATOM 929 CB ASP A 59 -9.774 7.324 -7.883 1.00 12.12 C ATOM 930 CG ASP A 59 -10.327 8.374 -8.866 1.00 54.13 C ATOM 931 OD1 ASP A 59 -11.152 8.021 -9.739 1.00 61.42 O ATOM 932 OD2 ASP A 59 -9.949 9.562 -8.759 1.00 31.10 O ATOM 0 H ASP A 59 -9.056 5.916 -5.954 1.00 21.22 H new ATOM 0 HA ASP A 59 -10.848 8.126 -6.194 1.00 45.01 H new ATOM 0 HB2 ASP A 59 -8.765 7.613 -7.587 1.00 12.12 H new ATOM 0 HB3 ASP A 59 -9.694 6.366 -8.397 1.00 12.12 H new ATOM 937 N ASN A 60 -11.972 5.116 -7.097 1.00 52.33 N ATOM 938 CA ASN A 60 -13.212 4.337 -7.355 1.00 61.40 C ATOM 939 C ASN A 60 -14.075 4.247 -6.066 1.00 65.52 C ATOM 940 O ASN A 60 -15.278 3.974 -6.150 1.00 34.25 O ATOM 941 CB ASN A 60 -12.886 2.909 -7.924 1.00 74.01 C ATOM 942 CG ASN A 60 -14.133 2.119 -8.382 1.00 35.54 C ATOM 943 OD1 ASN A 60 -15.104 2.686 -8.890 1.00 72.41 O ATOM 944 ND2 ASN A 60 -14.123 0.811 -8.192 1.00 60.51 N ATOM 0 H ASN A 60 -11.128 4.547 -7.031 1.00 52.33 H new ATOM 0 HA ASN A 60 -13.789 4.863 -8.116 1.00 61.40 H new ATOM 0 HB2 ASN A 60 -12.203 3.012 -8.767 1.00 74.01 H new ATOM 0 HB3 ASN A 60 -12.364 2.334 -7.159 1.00 74.01 H new ATOM 0 HD21 ASN A 60 -14.929 0.250 -8.467 1.00 60.51 H new ATOM 0 HD22 ASN A 60 -13.309 0.363 -7.770 1.00 60.51 H new ATOM 951 N SER A 61 -13.456 4.542 -4.890 1.00 43.01 N ATOM 952 CA SER A 61 -14.123 4.567 -3.574 1.00 10.21 C ATOM 953 C SER A 61 -14.985 3.308 -3.291 1.00 21.12 C ATOM 954 O SER A 61 -16.218 3.397 -3.203 1.00 24.32 O ATOM 955 CB SER A 61 -14.924 5.879 -3.399 1.00 1.23 C ATOM 956 OG SER A 61 -15.496 5.971 -2.107 1.00 3.04 O ATOM 0 H SER A 61 -12.464 4.772 -4.838 1.00 43.01 H new ATOM 0 HA SER A 61 -13.337 4.542 -2.819 1.00 10.21 H new ATOM 0 HB2 SER A 61 -14.267 6.732 -3.569 1.00 1.23 H new ATOM 0 HB3 SER A 61 -15.712 5.928 -4.151 1.00 1.23 H new ATOM 0 HG SER A 61 -15.994 6.812 -2.029 1.00 3.04 H new ATOM 962 N GLU A 62 -14.337 2.130 -3.252 1.00 50.04 N ATOM 963 CA GLU A 62 -15.031 0.854 -2.944 1.00 43.23 C ATOM 964 C GLU A 62 -15.530 0.827 -1.464 1.00 0.45 C ATOM 965 O GLU A 62 -16.737 0.914 -1.229 1.00 74.13 O ATOM 966 CB GLU A 62 -14.126 -0.374 -3.293 1.00 22.50 C ATOM 967 CG GLU A 62 -13.833 -0.549 -4.796 1.00 52.43 C ATOM 968 CD GLU A 62 -12.900 -1.736 -5.073 1.00 32.31 C ATOM 969 OE1 GLU A 62 -11.663 -1.545 -5.063 1.00 13.00 O ATOM 970 OE2 GLU A 62 -13.393 -2.873 -5.277 1.00 4.31 O ATOM 0 H GLU A 62 -13.337 2.029 -3.428 1.00 50.04 H new ATOM 0 HA GLU A 62 -15.917 0.784 -3.575 1.00 43.23 H new ATOM 0 HB2 GLU A 62 -13.180 -0.274 -2.761 1.00 22.50 H new ATOM 0 HB3 GLU A 62 -14.606 -1.280 -2.922 1.00 22.50 H new ATOM 0 HG2 GLU A 62 -14.771 -0.694 -5.332 1.00 52.43 H new ATOM 0 HG3 GLU A 62 -13.381 0.364 -5.185 1.00 52.43 H new ATOM 977 N TYR A 63 -14.584 0.822 -0.499 1.00 11.34 N ATOM 978 CA TYR A 63 -14.811 0.764 0.962 1.00 60.14 C ATOM 979 C TYR A 63 -13.421 0.711 1.638 1.00 73.41 C ATOM 980 O TYR A 63 -12.418 0.299 1.017 1.00 43.34 O ATOM 981 CB TYR A 63 -15.668 -0.462 1.453 1.00 24.33 C ATOM 982 CG TYR A 63 -17.206 -0.290 1.468 1.00 44.24 C ATOM 983 CD1 TYR A 63 -18.048 -1.179 0.785 1.00 4.42 C ATOM 984 CD2 TYR A 63 -17.812 0.759 2.168 1.00 21.11 C ATOM 985 CE1 TYR A 63 -19.421 -1.043 0.827 1.00 62.41 C ATOM 986 CE2 TYR A 63 -19.189 0.898 2.206 1.00 13.15 C ATOM 987 CZ TYR A 63 -19.985 0.003 1.521 1.00 12.14 C ATOM 988 OH TYR A 63 -21.361 0.126 1.559 1.00 24.23 O ATOM 0 H TYR A 63 -13.591 0.860 -0.730 1.00 11.34 H new ATOM 0 HA TYR A 63 -15.390 1.646 1.234 1.00 60.14 H new ATOM 0 HB2 TYR A 63 -15.430 -1.316 0.819 1.00 24.33 H new ATOM 0 HB3 TYR A 63 -15.347 -0.716 2.463 1.00 24.33 H new ATOM 0 HD1 TYR A 63 -17.614 -1.987 0.214 1.00 4.42 H new ATOM 0 HD2 TYR A 63 -17.193 1.475 2.689 1.00 21.11 H new ATOM 0 HE1 TYR A 63 -20.051 -1.756 0.316 1.00 62.41 H new ATOM 0 HE2 TYR A 63 -19.638 1.703 2.769 1.00 13.15 H new ATOM 0 HH TYR A 63 -21.605 0.914 2.089 1.00 24.23 H new ATOM 998 N LEU A 64 -13.388 1.009 2.935 1.00 71.25 N ATOM 999 CA LEU A 64 -12.099 1.086 3.697 1.00 3.33 C ATOM 1000 C LEU A 64 -11.601 -0.337 4.044 1.00 71.25 C ATOM 1001 O LEU A 64 -10.433 -0.651 3.750 1.00 21.02 O ATOM 1002 CB LEU A 64 -12.129 2.034 4.968 1.00 34.31 C ATOM 1003 CG LEU A 64 -11.544 3.507 4.876 1.00 4.24 C ATOM 1004 CD1 LEU A 64 -10.000 3.500 4.776 1.00 11.00 C ATOM 1005 CD2 LEU A 64 -12.172 4.426 3.777 1.00 32.22 C ATOM 0 H LEU A 64 -14.219 1.203 3.494 1.00 71.25 H new ATOM 0 HA LEU A 64 -11.382 1.567 3.031 1.00 3.33 H new ATOM 0 HB2 LEU A 64 -13.169 2.118 5.285 1.00 34.31 H new ATOM 0 HB3 LEU A 64 -11.592 1.522 5.767 1.00 34.31 H new ATOM 0 HG LEU A 64 -11.847 3.965 5.818 1.00 4.24 H new ATOM 0 HD11 LEU A 64 -9.635 4.525 4.715 1.00 11.00 H new ATOM 0 HD12 LEU A 64 -9.580 3.017 5.659 1.00 11.00 H new ATOM 0 HD13 LEU A 64 -9.696 2.952 3.884 1.00 11.00 H new ATOM 0 HD21 LEU A 64 -11.696 5.406 3.807 1.00 32.22 H new ATOM 0 HD22 LEU A 64 -12.018 3.977 2.796 1.00 32.22 H new ATOM 0 HD23 LEU A 64 -13.241 4.536 3.962 1.00 32.22 H new ATOM 1017 N PRO A 65 -12.462 -1.246 4.633 1.00 4.43 N ATOM 1018 CA PRO A 65 -12.096 -2.669 4.797 1.00 22.50 C ATOM 1019 C PRO A 65 -11.822 -3.366 3.447 1.00 33.25 C ATOM 1020 O PRO A 65 -11.081 -4.337 3.410 1.00 23.23 O ATOM 1021 CB PRO A 65 -13.325 -3.303 5.507 1.00 53.21 C ATOM 1022 CG PRO A 65 -14.021 -2.150 6.158 1.00 33.32 C ATOM 1023 CD PRO A 65 -13.814 -0.988 5.220 1.00 1.21 C ATOM 0 HA PRO A 65 -11.172 -2.780 5.365 1.00 22.50 H new ATOM 0 HB2 PRO A 65 -13.977 -3.809 4.795 1.00 53.21 H new ATOM 0 HB3 PRO A 65 -13.018 -4.047 6.242 1.00 53.21 H new ATOM 0 HG2 PRO A 65 -15.081 -2.358 6.300 1.00 33.32 H new ATOM 0 HG3 PRO A 65 -13.603 -1.942 7.143 1.00 33.32 H new ATOM 0 HD2 PRO A 65 -14.585 -0.952 4.450 1.00 1.21 H new ATOM 0 HD3 PRO A 65 -13.846 -0.035 5.749 1.00 1.21 H new ATOM 1031 N LYS A 66 -12.392 -2.830 2.335 1.00 31.13 N ATOM 1032 CA LYS A 66 -12.316 -3.478 1.015 1.00 31.52 C ATOM 1033 C LYS A 66 -10.915 -3.273 0.429 1.00 23.44 C ATOM 1034 O LYS A 66 -10.315 -4.214 -0.100 1.00 52.33 O ATOM 1035 CB LYS A 66 -13.435 -2.933 0.068 1.00 21.02 C ATOM 1036 CG LYS A 66 -13.493 -3.548 -1.353 1.00 71.20 C ATOM 1037 CD LYS A 66 -13.733 -5.077 -1.349 1.00 43.52 C ATOM 1038 CE LYS A 66 -13.984 -5.647 -2.761 1.00 0.34 C ATOM 1039 NZ LYS A 66 -12.896 -5.318 -3.720 1.00 34.23 N ATOM 0 H LYS A 66 -12.908 -1.950 2.336 1.00 31.13 H new ATOM 0 HA LYS A 66 -12.487 -4.549 1.121 1.00 31.52 H new ATOM 0 HB2 LYS A 66 -14.399 -3.094 0.550 1.00 21.02 H new ATOM 0 HB3 LYS A 66 -13.304 -1.855 -0.031 1.00 21.02 H new ATOM 0 HG2 LYS A 66 -14.289 -3.064 -1.919 1.00 71.20 H new ATOM 0 HG3 LYS A 66 -12.558 -3.335 -1.872 1.00 71.20 H new ATOM 0 HD2 LYS A 66 -12.868 -5.575 -0.910 1.00 43.52 H new ATOM 0 HD3 LYS A 66 -14.589 -5.304 -0.713 1.00 43.52 H new ATOM 0 HE2 LYS A 66 -14.089 -6.730 -2.697 1.00 0.34 H new ATOM 0 HE3 LYS A 66 -14.928 -5.257 -3.142 1.00 0.34 H new ATOM 0 HZ1 LYS A 66 -12.775 -6.104 -4.390 1.00 34.23 H new ATOM 0 HZ2 LYS A 66 -13.143 -4.453 -4.242 1.00 34.23 H new ATOM 0 HZ3 LYS A 66 -12.008 -5.167 -3.199 1.00 34.23 H new ATOM 1053 N ILE A 67 -10.377 -2.047 0.580 1.00 5.41 N ATOM 1054 CA ILE A 67 -9.043 -1.701 0.068 1.00 22.45 C ATOM 1055 C ILE A 67 -7.936 -2.252 0.973 1.00 44.01 C ATOM 1056 O ILE A 67 -6.931 -2.757 0.473 1.00 14.43 O ATOM 1057 CB ILE A 67 -8.894 -0.151 -0.112 1.00 62.44 C ATOM 1058 CG1 ILE A 67 -10.021 0.351 -1.065 1.00 63.04 C ATOM 1059 CG2 ILE A 67 -7.475 0.238 -0.630 1.00 2.25 C ATOM 1060 CD1 ILE A 67 -9.889 1.780 -1.518 1.00 13.35 C ATOM 0 H ILE A 67 -10.851 -1.279 1.055 1.00 5.41 H new ATOM 0 HA ILE A 67 -8.936 -2.169 -0.911 1.00 22.45 H new ATOM 0 HB ILE A 67 -9.001 0.337 0.857 1.00 62.44 H new ATOM 0 HG12 ILE A 67 -10.043 -0.292 -1.945 1.00 63.04 H new ATOM 0 HG13 ILE A 67 -10.980 0.234 -0.560 1.00 63.04 H new ATOM 0 HG21 ILE A 67 -7.412 1.320 -0.742 1.00 2.25 H new ATOM 0 HG22 ILE A 67 -6.723 -0.097 0.084 1.00 2.25 H new ATOM 0 HG23 ILE A 67 -7.297 -0.237 -1.595 1.00 2.25 H new ATOM 0 HD11 ILE A 67 -10.721 2.031 -2.176 1.00 13.35 H new ATOM 0 HD12 ILE A 67 -9.901 2.439 -0.650 1.00 13.35 H new ATOM 0 HD13 ILE A 67 -8.950 1.906 -2.056 1.00 13.35 H new ATOM 1072 N ILE A 68 -8.141 -2.184 2.307 1.00 4.33 N ATOM 1073 CA ILE A 68 -7.126 -2.630 3.287 1.00 63.41 C ATOM 1074 C ILE A 68 -6.974 -4.165 3.219 1.00 55.11 C ATOM 1075 O ILE A 68 -5.849 -4.683 3.230 1.00 3.23 O ATOM 1076 CB ILE A 68 -7.446 -2.124 4.754 1.00 55.20 C ATOM 1077 CG1 ILE A 68 -7.286 -0.561 4.826 1.00 45.20 C ATOM 1078 CG2 ILE A 68 -6.556 -2.825 5.825 1.00 35.13 C ATOM 1079 CD1 ILE A 68 -7.564 0.049 6.186 1.00 64.13 C ATOM 0 H ILE A 68 -8.998 -1.826 2.729 1.00 4.33 H new ATOM 0 HA ILE A 68 -6.170 -2.178 3.021 1.00 63.41 H new ATOM 0 HB ILE A 68 -8.478 -2.389 4.982 1.00 55.20 H new ATOM 0 HG12 ILE A 68 -6.270 -0.301 4.528 1.00 45.20 H new ATOM 0 HG13 ILE A 68 -7.958 -0.108 4.097 1.00 45.20 H new ATOM 0 HG21 ILE A 68 -6.811 -2.446 6.815 1.00 35.13 H new ATOM 0 HG22 ILE A 68 -6.728 -3.901 5.793 1.00 35.13 H new ATOM 0 HG23 ILE A 68 -5.506 -2.619 5.617 1.00 35.13 H new ATOM 0 HD11 ILE A 68 -7.428 1.129 6.135 1.00 64.13 H new ATOM 0 HD12 ILE A 68 -8.589 -0.174 6.482 1.00 64.13 H new ATOM 0 HD13 ILE A 68 -6.875 -0.369 6.920 1.00 64.13 H new ATOM 1091 N LEU A 69 -8.118 -4.873 3.074 1.00 31.35 N ATOM 1092 CA LEU A 69 -8.141 -6.333 2.850 1.00 13.12 C ATOM 1093 C LEU A 69 -7.399 -6.679 1.543 1.00 15.41 C ATOM 1094 O LEU A 69 -6.538 -7.549 1.543 1.00 32.33 O ATOM 1095 CB LEU A 69 -9.608 -6.851 2.801 1.00 73.42 C ATOM 1096 CG LEU A 69 -9.814 -8.425 2.641 1.00 32.32 C ATOM 1097 CD1 LEU A 69 -9.128 -9.242 3.768 1.00 15.41 C ATOM 1098 CD2 LEU A 69 -11.318 -8.858 2.506 1.00 55.44 C ATOM 0 H LEU A 69 -9.045 -4.449 3.109 1.00 31.35 H new ATOM 0 HA LEU A 69 -7.633 -6.825 3.679 1.00 13.12 H new ATOM 0 HB2 LEU A 69 -10.110 -6.535 3.715 1.00 73.42 H new ATOM 0 HB3 LEU A 69 -10.115 -6.357 1.972 1.00 73.42 H new ATOM 0 HG LEU A 69 -9.322 -8.660 1.697 1.00 32.32 H new ATOM 0 HD11 LEU A 69 -9.303 -10.305 3.605 1.00 15.41 H new ATOM 0 HD12 LEU A 69 -8.056 -9.045 3.759 1.00 15.41 H new ATOM 0 HD13 LEU A 69 -9.542 -8.950 4.733 1.00 15.41 H new ATOM 0 HD21 LEU A 69 -11.377 -9.941 2.401 1.00 55.44 H new ATOM 0 HD22 LEU A 69 -11.867 -8.549 3.396 1.00 55.44 H new ATOM 0 HD23 LEU A 69 -11.756 -8.384 1.627 1.00 55.44 H new ATOM 1110 N ASN A 70 -7.696 -5.930 0.456 1.00 45.32 N ATOM 1111 CA ASN A 70 -7.138 -6.208 -0.891 1.00 4.30 C ATOM 1112 C ASN A 70 -5.618 -5.933 -0.953 1.00 63.42 C ATOM 1113 O ASN A 70 -4.872 -6.699 -1.571 1.00 51.12 O ATOM 1114 CB ASN A 70 -7.858 -5.377 -1.990 1.00 1.45 C ATOM 1115 CG ASN A 70 -7.423 -5.760 -3.418 1.00 41.44 C ATOM 1116 OD1 ASN A 70 -7.244 -6.941 -3.739 1.00 70.34 O ATOM 1117 ND2 ASN A 70 -7.212 -4.775 -4.271 1.00 43.15 N ATOM 0 H ASN A 70 -8.322 -5.125 0.485 1.00 45.32 H new ATOM 0 HA ASN A 70 -7.308 -7.268 -1.080 1.00 4.30 H new ATOM 0 HB2 ASN A 70 -8.935 -5.515 -1.895 1.00 1.45 H new ATOM 0 HB3 ASN A 70 -7.657 -4.318 -1.827 1.00 1.45 H new ATOM 0 HD21 ASN A 70 -6.894 -4.980 -5.218 1.00 43.15 H new ATOM 0 HD22 ASN A 70 -7.367 -3.809 -3.983 1.00 43.15 H new ATOM 1124 N LEU A 71 -5.163 -4.859 -0.275 1.00 14.23 N ATOM 1125 CA LEU A 71 -3.755 -4.411 -0.327 1.00 11.54 C ATOM 1126 C LEU A 71 -2.917 -5.416 0.490 1.00 62.45 C ATOM 1127 O LEU A 71 -1.868 -5.902 0.048 1.00 0.53 O ATOM 1128 CB LEU A 71 -3.629 -2.946 0.243 1.00 70.53 C ATOM 1129 CG LEU A 71 -2.502 -2.014 -0.336 1.00 14.41 C ATOM 1130 CD1 LEU A 71 -2.544 -0.619 0.336 1.00 73.21 C ATOM 1131 CD2 LEU A 71 -1.092 -2.627 -0.211 1.00 53.13 C ATOM 0 H LEU A 71 -5.756 -4.281 0.320 1.00 14.23 H new ATOM 0 HA LEU A 71 -3.390 -4.383 -1.354 1.00 11.54 H new ATOM 0 HB2 LEU A 71 -4.585 -2.446 0.089 1.00 70.53 H new ATOM 0 HB3 LEU A 71 -3.478 -3.020 1.320 1.00 70.53 H new ATOM 0 HG LEU A 71 -2.708 -1.906 -1.401 1.00 14.41 H new ATOM 0 HD11 LEU A 71 -1.756 0.009 -0.080 1.00 73.21 H new ATOM 0 HD12 LEU A 71 -3.513 -0.155 0.151 1.00 73.21 H new ATOM 0 HD13 LEU A 71 -2.393 -0.728 1.410 1.00 73.21 H new ATOM 0 HD21 LEU A 71 -0.357 -1.938 -0.627 1.00 53.13 H new ATOM 0 HD22 LEU A 71 -0.866 -2.807 0.840 1.00 53.13 H new ATOM 0 HD23 LEU A 71 -1.055 -3.570 -0.757 1.00 53.13 H new ATOM 1143 N ARG A 72 -3.466 -5.780 1.661 1.00 55.32 N ATOM 1144 CA ARG A 72 -2.850 -6.756 2.574 1.00 50.22 C ATOM 1145 C ARG A 72 -2.975 -8.191 1.987 1.00 41.21 C ATOM 1146 O ARG A 72 -2.205 -9.073 2.345 1.00 40.30 O ATOM 1147 CB ARG A 72 -3.489 -6.634 3.998 1.00 40.14 C ATOM 1148 CG ARG A 72 -2.862 -7.514 5.097 1.00 51.42 C ATOM 1149 CD ARG A 72 -3.750 -7.577 6.350 1.00 1.43 C ATOM 1150 NE ARG A 72 -5.096 -8.074 6.025 1.00 22.34 N ATOM 1151 CZ ARG A 72 -6.014 -8.488 6.909 1.00 33.52 C ATOM 1152 NH1 ARG A 72 -5.767 -8.493 8.223 1.00 15.54 N ATOM 1153 NH2 ARG A 72 -7.177 -8.931 6.457 1.00 3.00 N ATOM 0 H ARG A 72 -4.351 -5.405 2.001 1.00 55.32 H new ATOM 0 HA ARG A 72 -1.786 -6.543 2.677 1.00 50.22 H new ATOM 0 HB2 ARG A 72 -3.427 -5.593 4.314 1.00 40.14 H new ATOM 0 HB3 ARG A 72 -4.548 -6.882 3.922 1.00 40.14 H new ATOM 0 HG2 ARG A 72 -2.705 -8.521 4.711 1.00 51.42 H new ATOM 0 HG3 ARG A 72 -1.882 -7.119 5.365 1.00 51.42 H new ATOM 0 HD2 ARG A 72 -3.289 -8.228 7.093 1.00 1.43 H new ATOM 0 HD3 ARG A 72 -3.824 -6.585 6.797 1.00 1.43 H new ATOM 0 HE ARG A 72 -5.353 -8.106 5.039 1.00 22.34 H new ATOM 0 HH11 ARG A 72 -4.863 -8.177 8.573 1.00 15.54 H new ATOM 0 HH12 ARG A 72 -6.483 -8.813 8.875 1.00 15.54 H new ATOM 0 HH21 ARG A 72 -7.360 -8.952 5.454 1.00 3.00 H new ATOM 0 HH22 ARG A 72 -7.890 -9.251 7.112 1.00 3.00 H new ATOM 1167 N LYS A 73 -3.927 -8.406 1.038 1.00 14.13 N ATOM 1168 CA LYS A 73 -4.078 -9.695 0.323 1.00 72.21 C ATOM 1169 C LYS A 73 -3.060 -9.766 -0.822 1.00 53.31 C ATOM 1170 O LYS A 73 -2.617 -10.851 -1.207 1.00 40.25 O ATOM 1171 CB LYS A 73 -5.531 -9.857 -0.219 1.00 62.52 C ATOM 1172 CG LYS A 73 -5.829 -11.180 -0.961 1.00 53.12 C ATOM 1173 CD LYS A 73 -5.664 -12.428 -0.067 1.00 4.11 C ATOM 1174 CE LYS A 73 -6.016 -13.728 -0.806 1.00 42.35 C ATOM 1175 NZ LYS A 73 -5.819 -14.923 0.058 1.00 1.33 N ATOM 0 H LYS A 73 -4.602 -7.697 0.753 1.00 14.13 H new ATOM 0 HA LYS A 73 -3.889 -10.513 1.018 1.00 72.21 H new ATOM 0 HB2 LYS A 73 -6.223 -9.768 0.619 1.00 62.52 H new ATOM 0 HB3 LYS A 73 -5.741 -9.028 -0.895 1.00 62.52 H new ATOM 0 HG2 LYS A 73 -6.847 -11.150 -1.349 1.00 53.12 H new ATOM 0 HG3 LYS A 73 -5.163 -11.265 -1.820 1.00 53.12 H new ATOM 0 HD2 LYS A 73 -4.635 -12.483 0.289 1.00 4.11 H new ATOM 0 HD3 LYS A 73 -6.301 -12.329 0.812 1.00 4.11 H new ATOM 0 HE2 LYS A 73 -7.053 -13.687 -1.140 1.00 42.35 H new ATOM 0 HE3 LYS A 73 -5.397 -13.818 -1.699 1.00 42.35 H new ATOM 0 HZ1 LYS A 73 -6.067 -15.781 -0.475 1.00 1.33 H new ATOM 0 HZ2 LYS A 73 -4.824 -14.976 0.356 1.00 1.33 H new ATOM 0 HZ3 LYS A 73 -6.429 -14.849 0.897 1.00 1.33 H new ATOM 1189 N ALA A 74 -2.691 -8.595 -1.360 1.00 11.25 N ATOM 1190 CA ALA A 74 -1.682 -8.497 -2.410 1.00 44.35 C ATOM 1191 C ALA A 74 -0.267 -8.583 -1.813 1.00 51.11 C ATOM 1192 O ALA A 74 0.643 -9.053 -2.490 1.00 71.22 O ATOM 1193 CB ALA A 74 -1.876 -7.204 -3.222 1.00 53.13 C ATOM 0 H ALA A 74 -3.084 -7.697 -1.078 1.00 11.25 H new ATOM 0 HA ALA A 74 -1.802 -9.339 -3.091 1.00 44.35 H new ATOM 0 HB1 ALA A 74 -1.116 -7.146 -4.001 1.00 53.13 H new ATOM 0 HB2 ALA A 74 -2.865 -7.207 -3.680 1.00 53.13 H new ATOM 0 HB3 ALA A 74 -1.785 -6.342 -2.561 1.00 53.13 H new ATOM 1199 N LEU A 75 -0.075 -8.151 -0.535 1.00 22.31 N ATOM 1200 CA LEU A 75 1.280 -8.122 0.080 1.00 13.34 C ATOM 1201 C LEU A 75 1.600 -9.305 1.031 1.00 44.34 C ATOM 1202 O LEU A 75 2.756 -9.754 1.036 1.00 73.33 O ATOM 1203 CB LEU A 75 1.576 -6.760 0.798 1.00 43.31 C ATOM 1204 CG LEU A 75 1.478 -5.412 -0.028 1.00 74.13 C ATOM 1205 CD1 LEU A 75 2.074 -4.228 0.779 1.00 52.44 C ATOM 1206 CD2 LEU A 75 2.120 -5.490 -1.443 1.00 72.43 C ATOM 0 H LEU A 75 -0.824 -7.825 0.076 1.00 22.31 H new ATOM 0 HA LEU A 75 1.949 -8.234 -0.773 1.00 13.34 H new ATOM 0 HB2 LEU A 75 0.890 -6.678 1.641 1.00 43.31 H new ATOM 0 HB3 LEU A 75 2.583 -6.819 1.211 1.00 43.31 H new ATOM 0 HG LEU A 75 0.414 -5.241 -0.192 1.00 74.13 H new ATOM 0 HD11 LEU A 75 1.996 -3.312 0.193 1.00 52.44 H new ATOM 0 HD12 LEU A 75 1.523 -4.109 1.712 1.00 52.44 H new ATOM 0 HD13 LEU A 75 3.122 -4.429 1.000 1.00 52.44 H new ATOM 0 HD21 LEU A 75 2.012 -4.529 -1.945 1.00 72.43 H new ATOM 0 HD22 LEU A 75 3.178 -5.734 -1.349 1.00 72.43 H new ATOM 0 HD23 LEU A 75 1.620 -6.262 -2.027 1.00 72.43 H new ATOM 1218 N THR A 76 0.619 -9.824 1.817 1.00 54.05 N ATOM 1219 CA THR A 76 0.911 -10.888 2.830 1.00 74.43 C ATOM 1220 C THR A 76 1.486 -12.205 2.215 1.00 0.15 C ATOM 1221 O THR A 76 2.486 -12.708 2.747 1.00 63.24 O ATOM 1222 CB THR A 76 -0.299 -11.203 3.786 1.00 63.53 C ATOM 1223 OG1 THR A 76 -0.674 -10.008 4.477 1.00 55.43 O ATOM 1224 CG2 THR A 76 0.031 -12.303 4.823 1.00 12.32 C ATOM 0 H THR A 76 -0.359 -9.536 1.776 1.00 54.05 H new ATOM 0 HA THR A 76 1.699 -10.448 3.441 1.00 74.43 H new ATOM 0 HB THR A 76 -1.116 -11.572 3.166 1.00 63.53 H new ATOM 0 HG1 THR A 76 -1.132 -9.402 3.858 1.00 55.43 H new ATOM 0 HG21 THR A 76 -0.839 -12.479 5.456 1.00 12.32 H new ATOM 0 HG22 THR A 76 0.295 -13.224 4.304 1.00 12.32 H new ATOM 0 HG23 THR A 76 0.869 -11.981 5.441 1.00 12.32 H new ATOM 1232 N PRO A 77 0.924 -12.795 1.090 1.00 1.52 N ATOM 1233 CA PRO A 77 1.523 -14.015 0.483 1.00 41.54 C ATOM 1234 C PRO A 77 2.958 -13.777 -0.058 1.00 3.33 C ATOM 1235 O PRO A 77 3.798 -14.684 -0.006 1.00 14.21 O ATOM 1236 CB PRO A 77 0.534 -14.400 -0.648 1.00 13.20 C ATOM 1237 CG PRO A 77 -0.739 -13.690 -0.303 1.00 34.51 C ATOM 1238 CD PRO A 77 -0.312 -12.397 0.346 1.00 2.10 C ATOM 0 HA PRO A 77 1.650 -14.810 1.218 1.00 41.54 H new ATOM 0 HB2 PRO A 77 0.908 -14.089 -1.623 1.00 13.20 H new ATOM 0 HB3 PRO A 77 0.385 -15.479 -0.693 1.00 13.20 H new ATOM 0 HG2 PRO A 77 -1.339 -13.503 -1.194 1.00 34.51 H new ATOM 0 HG3 PRO A 77 -1.351 -14.286 0.374 1.00 34.51 H new ATOM 0 HD2 PRO A 77 -0.108 -11.621 -0.392 1.00 2.10 H new ATOM 0 HD3 PRO A 77 -1.079 -12.007 1.015 1.00 2.10 H new ATOM 1246 N LEU A 78 3.239 -12.543 -0.543 1.00 64.52 N ATOM 1247 CA LEU A 78 4.589 -12.176 -1.070 1.00 51.31 C ATOM 1248 C LEU A 78 5.590 -11.964 0.080 1.00 1.02 C ATOM 1249 O LEU A 78 6.809 -12.165 -0.097 1.00 73.34 O ATOM 1250 CB LEU A 78 4.566 -10.883 -1.959 1.00 32.41 C ATOM 1251 CG LEU A 78 3.491 -10.803 -3.113 1.00 75.12 C ATOM 1252 CD1 LEU A 78 3.572 -9.465 -3.898 1.00 31.12 C ATOM 1253 CD2 LEU A 78 3.571 -11.998 -4.101 1.00 65.33 C ATOM 0 H LEU A 78 2.558 -11.785 -0.583 1.00 64.52 H new ATOM 0 HA LEU A 78 4.902 -13.014 -1.693 1.00 51.31 H new ATOM 0 HB2 LEU A 78 4.416 -10.027 -1.301 1.00 32.41 H new ATOM 0 HB3 LEU A 78 5.552 -10.769 -2.411 1.00 32.41 H new ATOM 0 HG LEU A 78 2.526 -10.853 -2.608 1.00 75.12 H new ATOM 0 HD11 LEU A 78 2.814 -9.456 -4.681 1.00 31.12 H new ATOM 0 HD12 LEU A 78 3.399 -8.632 -3.216 1.00 31.12 H new ATOM 0 HD13 LEU A 78 4.560 -9.367 -4.348 1.00 31.12 H new ATOM 0 HD21 LEU A 78 2.807 -11.886 -4.871 1.00 65.33 H new ATOM 0 HD22 LEU A 78 4.556 -12.019 -4.567 1.00 65.33 H new ATOM 0 HD23 LEU A 78 3.406 -12.929 -3.559 1.00 65.33 H new ATOM 1265 N ALA A 79 5.061 -11.533 1.240 1.00 74.41 N ATOM 1266 CA ALA A 79 5.837 -11.359 2.473 1.00 15.24 C ATOM 1267 C ALA A 79 6.341 -12.725 2.958 1.00 33.22 C ATOM 1268 O ALA A 79 7.548 -12.926 3.145 1.00 1.03 O ATOM 1269 CB ALA A 79 4.976 -10.667 3.544 1.00 73.35 C ATOM 0 H ALA A 79 4.075 -11.295 1.344 1.00 74.41 H new ATOM 0 HA ALA A 79 6.701 -10.724 2.278 1.00 15.24 H new ATOM 0 HB1 ALA A 79 5.560 -10.542 4.456 1.00 73.35 H new ATOM 0 HB2 ALA A 79 4.658 -9.690 3.180 1.00 73.35 H new ATOM 0 HB3 ALA A 79 4.099 -11.278 3.756 1.00 73.35 H new ATOM 1275 N ILE A 80 5.388 -13.673 3.068 1.00 23.41 N ATOM 1276 CA ILE A 80 5.645 -15.066 3.496 1.00 33.04 C ATOM 1277 C ILE A 80 6.596 -15.765 2.504 1.00 61.24 C ATOM 1278 O ILE A 80 7.492 -16.514 2.909 1.00 11.32 O ATOM 1279 CB ILE A 80 4.291 -15.882 3.622 1.00 63.23 C ATOM 1280 CG1 ILE A 80 3.340 -15.229 4.690 1.00 52.02 C ATOM 1281 CG2 ILE A 80 4.550 -17.387 3.933 1.00 44.14 C ATOM 1282 CD1 ILE A 80 1.983 -15.900 4.827 1.00 1.00 C ATOM 0 H ILE A 80 4.406 -13.492 2.860 1.00 23.41 H new ATOM 0 HA ILE A 80 6.118 -15.035 4.478 1.00 33.04 H new ATOM 0 HB ILE A 80 3.789 -15.839 2.655 1.00 63.23 H new ATOM 0 HG12 ILE A 80 3.838 -15.247 5.659 1.00 52.02 H new ATOM 0 HG13 ILE A 80 3.188 -14.182 4.429 1.00 52.02 H new ATOM 0 HG21 ILE A 80 3.598 -17.911 4.012 1.00 44.14 H new ATOM 0 HG22 ILE A 80 5.142 -17.828 3.131 1.00 44.14 H new ATOM 0 HG23 ILE A 80 5.092 -17.476 4.875 1.00 44.14 H new ATOM 0 HD11 ILE A 80 1.396 -15.382 5.586 1.00 1.00 H new ATOM 0 HD12 ILE A 80 1.459 -15.859 3.872 1.00 1.00 H new ATOM 0 HD13 ILE A 80 2.120 -16.940 5.122 1.00 1.00 H new ATOM 1294 N ASN A 81 6.406 -15.478 1.202 1.00 2.44 N ATOM 1295 CA ASN A 81 7.247 -16.049 0.131 1.00 13.42 C ATOM 1296 C ASN A 81 8.640 -15.368 0.105 1.00 65.44 C ATOM 1297 O ASN A 81 9.577 -15.922 -0.475 1.00 72.02 O ATOM 1298 CB ASN A 81 6.539 -15.945 -1.259 1.00 54.12 C ATOM 1299 CG ASN A 81 7.151 -16.873 -2.323 1.00 75.21 C ATOM 1300 OD1 ASN A 81 7.691 -17.936 -2.008 1.00 3.55 O ATOM 1301 ND2 ASN A 81 7.034 -16.514 -3.587 1.00 43.35 N ATOM 0 H ASN A 81 5.675 -14.852 0.865 1.00 2.44 H new ATOM 0 HA ASN A 81 7.394 -17.108 0.345 1.00 13.42 H new ATOM 0 HB2 ASN A 81 5.483 -16.186 -1.140 1.00 54.12 H new ATOM 0 HB3 ASN A 81 6.593 -14.915 -1.611 1.00 54.12 H new ATOM 0 HD21 ASN A 81 7.394 -17.120 -4.325 1.00 43.35 H new ATOM 0 HD22 ASN A 81 6.584 -15.631 -3.827 1.00 43.35 H new ATOM 1308 N ARG A 82 8.753 -14.172 0.758 1.00 65.34 N ATOM 1309 CA ARG A 82 10.030 -13.433 0.948 1.00 52.22 C ATOM 1310 C ARG A 82 10.576 -12.865 -0.390 1.00 52.43 C ATOM 1311 O ARG A 82 11.701 -13.184 -0.798 1.00 51.13 O ATOM 1312 CB ARG A 82 11.122 -14.306 1.666 1.00 32.03 C ATOM 1313 CG ARG A 82 10.727 -14.913 3.038 1.00 54.53 C ATOM 1314 CD ARG A 82 11.801 -15.887 3.562 1.00 34.34 C ATOM 1315 NE ARG A 82 12.099 -16.955 2.575 1.00 53.32 N ATOM 1316 CZ ARG A 82 13.328 -17.436 2.285 1.00 73.13 C ATOM 1317 NH1 ARG A 82 14.416 -16.969 2.901 1.00 40.32 N ATOM 1318 NH2 ARG A 82 13.462 -18.377 1.357 1.00 63.14 N ATOM 0 H ARG A 82 7.951 -13.694 1.169 1.00 65.34 H new ATOM 0 HA ARG A 82 9.799 -12.591 1.601 1.00 52.22 H new ATOM 0 HB2 ARG A 82 11.400 -15.122 0.999 1.00 32.03 H new ATOM 0 HB3 ARG A 82 12.012 -13.692 1.807 1.00 32.03 H new ATOM 0 HG2 ARG A 82 10.579 -14.111 3.761 1.00 54.53 H new ATOM 0 HG3 ARG A 82 9.776 -15.437 2.944 1.00 54.53 H new ATOM 0 HD2 ARG A 82 12.713 -15.336 3.789 1.00 34.34 H new ATOM 0 HD3 ARG A 82 11.461 -16.337 4.494 1.00 34.34 H new ATOM 0 HE ARG A 82 11.309 -17.360 2.073 1.00 53.32 H new ATOM 0 HH11 ARG A 82 14.328 -16.236 3.605 1.00 40.32 H new ATOM 0 HH12 ARG A 82 15.335 -17.345 2.668 1.00 40.32 H new ATOM 0 HH21 ARG A 82 12.640 -18.732 0.868 1.00 63.14 H new ATOM 0 HH22 ARG A 82 14.387 -18.744 1.133 1.00 63.14 H new ATOM 1332 N THR A 83 9.777 -12.029 -1.082 1.00 53.13 N ATOM 1333 CA THR A 83 10.240 -11.355 -2.331 1.00 64.01 C ATOM 1334 C THR A 83 9.909 -9.844 -2.334 1.00 22.33 C ATOM 1335 O THR A 83 10.286 -9.126 -3.268 1.00 50.00 O ATOM 1336 CB THR A 83 9.646 -12.043 -3.617 1.00 35.31 C ATOM 1337 OG1 THR A 83 10.386 -11.639 -4.786 1.00 23.03 O ATOM 1338 CG2 THR A 83 8.161 -11.696 -3.830 1.00 20.44 C ATOM 0 H THR A 83 8.821 -11.801 -0.810 1.00 53.13 H new ATOM 0 HA THR A 83 11.325 -11.461 -2.353 1.00 64.01 H new ATOM 0 HB THR A 83 9.730 -13.119 -3.465 1.00 35.31 H new ATOM 0 HG1 THR A 83 10.630 -10.693 -4.708 1.00 23.03 H new ATOM 0 HG21 THR A 83 7.796 -12.194 -4.729 1.00 20.44 H new ATOM 0 HG22 THR A 83 7.582 -12.031 -2.969 1.00 20.44 H new ATOM 0 HG23 THR A 83 8.052 -10.617 -3.943 1.00 20.44 H new ATOM 1346 N LEU A 84 9.205 -9.370 -1.297 1.00 33.42 N ATOM 1347 CA LEU A 84 8.759 -7.965 -1.204 1.00 52.03 C ATOM 1348 C LEU A 84 9.959 -7.067 -0.805 1.00 50.53 C ATOM 1349 O LEU A 84 10.692 -7.418 0.127 1.00 51.30 O ATOM 1350 CB LEU A 84 7.576 -7.891 -0.189 1.00 54.23 C ATOM 1351 CG LEU A 84 6.610 -6.651 -0.267 1.00 14.05 C ATOM 1352 CD1 LEU A 84 5.242 -6.997 0.353 1.00 53.44 C ATOM 1353 CD2 LEU A 84 7.186 -5.400 0.420 1.00 55.24 C ATOM 0 H LEU A 84 8.928 -9.943 -0.500 1.00 33.42 H new ATOM 0 HA LEU A 84 8.398 -7.596 -2.164 1.00 52.03 H new ATOM 0 HB2 LEU A 84 6.974 -8.791 -0.312 1.00 54.23 H new ATOM 0 HB3 LEU A 84 7.996 -7.924 0.816 1.00 54.23 H new ATOM 0 HG LEU A 84 6.492 -6.416 -1.325 1.00 14.05 H new ATOM 0 HD11 LEU A 84 4.585 -6.130 0.292 1.00 53.44 H new ATOM 0 HD12 LEU A 84 4.796 -7.829 -0.191 1.00 53.44 H new ATOM 0 HD13 LEU A 84 5.376 -7.277 1.398 1.00 53.44 H new ATOM 0 HD21 LEU A 84 6.476 -4.578 0.334 1.00 55.24 H new ATOM 0 HD22 LEU A 84 7.367 -5.614 1.473 1.00 55.24 H new ATOM 0 HD23 LEU A 84 8.124 -5.121 -0.060 1.00 55.24 H new ATOM 1365 N ASN A 85 10.143 -5.929 -1.533 1.00 13.43 N ATOM 1366 CA ASN A 85 11.311 -4.983 -1.340 1.00 1.41 C ATOM 1367 C ASN A 85 11.542 -4.629 0.162 1.00 72.41 C ATOM 1368 O ASN A 85 12.690 -4.465 0.593 1.00 15.23 O ATOM 1369 CB ASN A 85 11.178 -3.659 -2.184 1.00 13.23 C ATOM 1370 CG ASN A 85 12.427 -2.755 -2.121 1.00 71.30 C ATOM 1371 OD1 ASN A 85 13.558 -3.227 -1.989 1.00 41.51 O ATOM 1372 ND2 ASN A 85 12.236 -1.453 -2.232 1.00 54.33 N ATOM 0 H ASN A 85 9.499 -5.632 -2.267 1.00 13.43 H new ATOM 0 HA ASN A 85 12.180 -5.527 -1.708 1.00 1.41 H new ATOM 0 HB2 ASN A 85 10.981 -3.920 -3.224 1.00 13.23 H new ATOM 0 HB3 ASN A 85 10.315 -3.097 -1.828 1.00 13.23 H new ATOM 0 HD21 ASN A 85 13.033 -0.817 -2.209 1.00 54.33 H new ATOM 0 HD22 ASN A 85 11.291 -1.084 -2.340 1.00 54.33 H new ATOM 1379 N HIS A 86 10.425 -4.494 0.924 1.00 54.34 N ATOM 1380 CA HIS A 86 10.413 -4.384 2.418 1.00 53.30 C ATOM 1381 C HIS A 86 10.895 -2.993 2.910 1.00 55.22 C ATOM 1382 O HIS A 86 10.913 -2.717 4.114 1.00 43.43 O ATOM 1383 CB HIS A 86 11.230 -5.558 3.062 1.00 11.32 C ATOM 1384 CG HIS A 86 11.154 -5.687 4.571 1.00 32.23 C ATOM 1385 ND1 HIS A 86 10.092 -6.282 5.219 1.00 4.54 N ATOM 1386 CD2 HIS A 86 12.014 -5.308 5.556 1.00 5.03 C ATOM 1387 CE1 HIS A 86 10.306 -6.266 6.517 1.00 12.04 C ATOM 1388 NE2 HIS A 86 11.459 -5.685 6.748 1.00 11.32 N ATOM 0 H HIS A 86 9.490 -4.457 0.517 1.00 54.34 H new ATOM 0 HA HIS A 86 9.379 -4.476 2.750 1.00 53.30 H new ATOM 0 HB2 HIS A 86 10.887 -6.494 2.622 1.00 11.32 H new ATOM 0 HB3 HIS A 86 12.277 -5.439 2.782 1.00 11.32 H new ATOM 0 HD2 HIS A 86 12.959 -4.803 5.421 1.00 5.03 H new ATOM 0 HE1 HIS A 86 9.641 -6.666 7.269 1.00 12.04 H new ATOM 0 HE2 HIS A 86 11.875 -5.538 7.668 1.00 11.32 H new ATOM 1397 N ASP A 87 11.227 -2.097 1.961 1.00 11.32 N ATOM 1398 CA ASP A 87 11.799 -0.759 2.266 1.00 51.34 C ATOM 1399 C ASP A 87 10.736 0.199 2.883 1.00 34.15 C ATOM 1400 O ASP A 87 11.088 1.229 3.461 1.00 4.44 O ATOM 1401 CB ASP A 87 12.511 -0.158 0.995 1.00 42.51 C ATOM 1402 CG ASP A 87 13.130 1.240 1.224 1.00 13.54 C ATOM 1403 OD1 ASP A 87 14.208 1.328 1.867 1.00 50.22 O ATOM 1404 OD2 ASP A 87 12.548 2.251 0.748 1.00 62.41 O ATOM 0 H ASP A 87 11.109 -2.273 0.963 1.00 11.32 H new ATOM 0 HA ASP A 87 12.565 -0.879 3.032 1.00 51.34 H new ATOM 0 HB2 ASP A 87 13.295 -0.843 0.672 1.00 42.51 H new ATOM 0 HB3 ASP A 87 11.788 -0.095 0.182 1.00 42.51 H new ATOM 1409 N LEU A 88 9.434 -0.175 2.810 1.00 54.45 N ATOM 1410 CA LEU A 88 8.322 0.562 3.452 1.00 14.22 C ATOM 1411 C LEU A 88 7.527 -0.413 4.327 1.00 3.35 C ATOM 1412 O LEU A 88 6.286 -0.427 4.321 1.00 33.21 O ATOM 1413 CB LEU A 88 7.410 1.345 2.442 1.00 43.05 C ATOM 1414 CG LEU A 88 7.160 0.722 1.023 1.00 62.14 C ATOM 1415 CD1 LEU A 88 5.787 1.139 0.467 1.00 3.32 C ATOM 1416 CD2 LEU A 88 8.295 1.116 0.041 1.00 10.32 C ATOM 0 H LEU A 88 9.127 -1.003 2.300 1.00 54.45 H new ATOM 0 HA LEU A 88 8.752 1.346 4.076 1.00 14.22 H new ATOM 0 HB2 LEU A 88 6.439 1.491 2.916 1.00 43.05 H new ATOM 0 HB3 LEU A 88 7.847 2.333 2.298 1.00 43.05 H new ATOM 0 HG LEU A 88 7.162 -0.363 1.129 1.00 62.14 H new ATOM 0 HD11 LEU A 88 5.642 0.692 -0.517 1.00 3.32 H new ATOM 0 HD12 LEU A 88 5.002 0.796 1.141 1.00 3.32 H new ATOM 0 HD13 LEU A 88 5.743 2.225 0.383 1.00 3.32 H new ATOM 0 HD21 LEU A 88 8.101 0.673 -0.936 1.00 10.32 H new ATOM 0 HD22 LEU A 88 8.334 2.201 -0.054 1.00 10.32 H new ATOM 0 HD23 LEU A 88 9.249 0.751 0.422 1.00 10.32 H new ATOM 1428 N SER A 89 8.275 -1.265 5.052 1.00 41.14 N ATOM 1429 CA SER A 89 7.730 -2.230 6.027 1.00 65.33 C ATOM 1430 C SER A 89 6.855 -1.550 7.098 1.00 74.12 C ATOM 1431 O SER A 89 5.957 -2.182 7.656 1.00 73.44 O ATOM 1432 CB SER A 89 8.891 -2.988 6.702 1.00 45.13 C ATOM 1433 OG SER A 89 8.426 -3.923 7.663 1.00 4.40 O ATOM 0 H SER A 89 9.291 -1.304 4.976 1.00 41.14 H new ATOM 0 HA SER A 89 7.091 -2.926 5.483 1.00 65.33 H new ATOM 0 HB2 SER A 89 9.475 -3.508 5.943 1.00 45.13 H new ATOM 0 HB3 SER A 89 9.559 -2.274 7.184 1.00 45.13 H new ATOM 0 HG SER A 89 9.185 -4.267 8.178 1.00 4.40 H new ATOM 1439 N GLU A 90 7.119 -0.250 7.343 1.00 11.11 N ATOM 1440 CA GLU A 90 6.408 0.558 8.345 1.00 5.41 C ATOM 1441 C GLU A 90 4.973 0.906 7.867 1.00 11.30 C ATOM 1442 O GLU A 90 4.131 1.264 8.683 1.00 23.03 O ATOM 1443 CB GLU A 90 7.220 1.851 8.684 1.00 30.43 C ATOM 1444 CG GLU A 90 8.592 1.644 9.390 1.00 72.10 C ATOM 1445 CD GLU A 90 9.308 2.972 9.689 1.00 1.12 C ATOM 1446 OE1 GLU A 90 9.152 3.507 10.812 1.00 43.00 O ATOM 1447 OE2 GLU A 90 10.007 3.503 8.795 1.00 64.24 O ATOM 0 H GLU A 90 7.840 0.270 6.843 1.00 11.11 H new ATOM 0 HA GLU A 90 6.316 -0.033 9.256 1.00 5.41 H new ATOM 0 HB2 GLU A 90 7.392 2.399 7.757 1.00 30.43 H new ATOM 0 HB3 GLU A 90 6.602 2.486 9.319 1.00 30.43 H new ATOM 0 HG2 GLU A 90 8.439 1.100 10.322 1.00 72.10 H new ATOM 0 HG3 GLU A 90 9.231 1.024 8.761 1.00 72.10 H new ATOM 1454 N LEU A 91 4.711 0.803 6.546 1.00 62.02 N ATOM 1455 CA LEU A 91 3.353 0.974 5.968 1.00 25.33 C ATOM 1456 C LEU A 91 2.505 -0.296 6.210 1.00 71.13 C ATOM 1457 O LEU A 91 1.322 -0.212 6.615 1.00 25.23 O ATOM 1458 CB LEU A 91 3.449 1.282 4.447 1.00 12.15 C ATOM 1459 CG LEU A 91 2.087 1.429 3.682 1.00 35.00 C ATOM 1460 CD1 LEU A 91 1.266 2.632 4.196 1.00 71.22 C ATOM 1461 CD2 LEU A 91 2.313 1.507 2.157 1.00 64.03 C ATOM 0 H LEU A 91 5.429 0.600 5.850 1.00 62.02 H new ATOM 0 HA LEU A 91 2.866 1.815 6.461 1.00 25.33 H new ATOM 0 HB2 LEU A 91 4.015 2.205 4.320 1.00 12.15 H new ATOM 0 HB3 LEU A 91 4.024 0.487 3.972 1.00 12.15 H new ATOM 0 HG LEU A 91 1.499 0.534 3.886 1.00 35.00 H new ATOM 0 HD11 LEU A 91 0.331 2.698 3.640 1.00 71.22 H new ATOM 0 HD12 LEU A 91 1.050 2.499 5.256 1.00 71.22 H new ATOM 0 HD13 LEU A 91 1.838 3.549 4.055 1.00 71.22 H new ATOM 0 HD21 LEU A 91 1.353 1.609 1.652 1.00 64.03 H new ATOM 0 HD22 LEU A 91 2.938 2.370 1.925 1.00 64.03 H new ATOM 0 HD23 LEU A 91 2.808 0.598 1.816 1.00 64.03 H new ATOM 1473 N TYR A 92 3.131 -1.471 5.981 1.00 44.24 N ATOM 1474 CA TYR A 92 2.498 -2.777 6.244 1.00 12.11 C ATOM 1475 C TYR A 92 2.250 -2.932 7.767 1.00 60.33 C ATOM 1476 O TYR A 92 1.248 -3.514 8.201 1.00 3.22 O ATOM 1477 CB TYR A 92 3.377 -3.929 5.694 1.00 13.54 C ATOM 1478 CG TYR A 92 2.797 -5.342 5.914 1.00 51.41 C ATOM 1479 CD1 TYR A 92 3.478 -6.301 6.668 1.00 31.33 C ATOM 1480 CD2 TYR A 92 1.559 -5.706 5.374 1.00 21.51 C ATOM 1481 CE1 TYR A 92 2.962 -7.566 6.861 1.00 35.24 C ATOM 1482 CE2 TYR A 92 1.034 -6.973 5.567 1.00 33.44 C ATOM 1483 CZ TYR A 92 1.737 -7.900 6.314 1.00 42.30 C ATOM 1484 OH TYR A 92 1.223 -9.167 6.506 1.00 13.52 O ATOM 0 H TYR A 92 4.080 -1.539 5.612 1.00 44.24 H new ATOM 0 HA TYR A 92 1.539 -2.825 5.729 1.00 12.11 H new ATOM 0 HB2 TYR A 92 3.528 -3.775 4.626 1.00 13.54 H new ATOM 0 HB3 TYR A 92 4.358 -3.876 6.165 1.00 13.54 H new ATOM 0 HD1 TYR A 92 4.430 -6.046 7.110 1.00 31.33 H new ATOM 0 HD2 TYR A 92 1.001 -4.985 4.795 1.00 21.51 H new ATOM 0 HE1 TYR A 92 3.514 -8.293 7.438 1.00 35.24 H new ATOM 0 HE2 TYR A 92 0.079 -7.236 5.136 1.00 33.44 H new ATOM 0 HH TYR A 92 0.593 -9.377 5.785 1.00 13.52 H new ATOM 1494 N LYS A 93 3.187 -2.360 8.544 1.00 60.15 N ATOM 1495 CA LYS A 93 3.123 -2.257 10.010 1.00 1.41 C ATOM 1496 C LYS A 93 1.997 -1.295 10.426 1.00 73.44 C ATOM 1497 O LYS A 93 1.254 -1.579 11.366 1.00 55.42 O ATOM 1498 CB LYS A 93 4.498 -1.758 10.533 1.00 53.30 C ATOM 1499 CG LYS A 93 4.619 -1.529 12.054 1.00 34.03 C ATOM 1500 CD LYS A 93 6.012 -0.963 12.428 1.00 53.52 C ATOM 1501 CE LYS A 93 6.180 -0.697 13.927 1.00 25.53 C ATOM 1502 NZ LYS A 93 6.074 -1.935 14.739 1.00 10.31 N ATOM 0 H LYS A 93 4.034 -1.945 8.156 1.00 60.15 H new ATOM 0 HA LYS A 93 2.904 -3.233 10.444 1.00 1.41 H new ATOM 0 HB2 LYS A 93 5.258 -2.481 10.236 1.00 53.30 H new ATOM 0 HB3 LYS A 93 4.735 -0.822 10.028 1.00 53.30 H new ATOM 0 HG2 LYS A 93 3.843 -0.838 12.383 1.00 34.03 H new ATOM 0 HG3 LYS A 93 4.453 -2.469 12.580 1.00 34.03 H new ATOM 0 HD2 LYS A 93 6.780 -1.665 12.103 1.00 53.52 H new ATOM 0 HD3 LYS A 93 6.177 -0.035 11.881 1.00 53.52 H new ATOM 0 HE2 LYS A 93 7.150 -0.232 14.104 1.00 25.53 H new ATOM 0 HE3 LYS A 93 5.421 0.014 14.254 1.00 25.53 H new ATOM 0 HZ1 LYS A 93 6.245 -1.709 15.740 1.00 10.31 H new ATOM 0 HZ2 LYS A 93 5.122 -2.339 14.633 1.00 10.31 H new ATOM 0 HZ3 LYS A 93 6.781 -2.625 14.414 1.00 10.31 H new ATOM 1516 N PHE A 94 1.874 -0.169 9.680 1.00 15.41 N ATOM 1517 CA PHE A 94 0.866 0.881 9.933 1.00 21.14 C ATOM 1518 C PHE A 94 -0.550 0.291 9.936 1.00 70.33 C ATOM 1519 O PHE A 94 -1.247 0.398 10.939 1.00 62.22 O ATOM 1520 CB PHE A 94 0.986 2.044 8.895 1.00 61.35 C ATOM 1521 CG PHE A 94 -0.039 3.175 9.062 1.00 14.04 C ATOM 1522 CD1 PHE A 94 -1.155 3.278 8.220 1.00 32.02 C ATOM 1523 CD2 PHE A 94 0.100 4.121 10.077 1.00 14.53 C ATOM 1524 CE1 PHE A 94 -2.086 4.287 8.389 1.00 44.11 C ATOM 1525 CE2 PHE A 94 -0.830 5.129 10.240 1.00 63.22 C ATOM 1526 CZ PHE A 94 -1.926 5.209 9.399 1.00 72.33 C ATOM 0 H PHE A 94 2.477 0.033 8.882 1.00 15.41 H new ATOM 0 HA PHE A 94 1.061 1.298 10.921 1.00 21.14 H new ATOM 0 HB2 PHE A 94 1.987 2.469 8.963 1.00 61.35 H new ATOM 0 HB3 PHE A 94 0.884 1.628 7.893 1.00 61.35 H new ATOM 0 HD1 PHE A 94 -1.290 2.558 7.427 1.00 32.02 H new ATOM 0 HD2 PHE A 94 0.947 4.065 10.745 1.00 14.53 H new ATOM 0 HE1 PHE A 94 -2.938 4.352 7.729 1.00 44.11 H new ATOM 0 HE2 PHE A 94 -0.701 5.858 11.027 1.00 63.22 H new ATOM 0 HZ PHE A 94 -2.655 5.994 9.535 1.00 72.33 H new ATOM 1536 N ILE A 95 -0.933 -0.410 8.844 1.00 43.50 N ATOM 1537 CA ILE A 95 -2.332 -0.919 8.674 1.00 4.15 C ATOM 1538 C ILE A 95 -2.687 -2.073 9.661 1.00 61.42 C ATOM 1539 O ILE A 95 -3.833 -2.534 9.685 1.00 20.10 O ATOM 1540 CB ILE A 95 -2.666 -1.305 7.166 1.00 21.55 C ATOM 1541 CG1 ILE A 95 -2.044 -2.685 6.732 1.00 3.14 C ATOM 1542 CG2 ILE A 95 -2.261 -0.148 6.210 1.00 5.12 C ATOM 1543 CD1 ILE A 95 -1.929 -2.917 5.227 1.00 2.01 C ATOM 0 H ILE A 95 -0.308 -0.639 8.071 1.00 43.50 H new ATOM 0 HA ILE A 95 -2.979 -0.081 8.936 1.00 4.15 H new ATOM 0 HB ILE A 95 -3.745 -1.443 7.095 1.00 21.55 H new ATOM 0 HG12 ILE A 95 -1.050 -2.768 7.171 1.00 3.14 H new ATOM 0 HG13 ILE A 95 -2.649 -3.485 7.159 1.00 3.14 H new ATOM 0 HG21 ILE A 95 -2.495 -0.426 5.182 1.00 5.12 H new ATOM 0 HG22 ILE A 95 -2.812 0.754 6.476 1.00 5.12 H new ATOM 0 HG23 ILE A 95 -1.191 0.041 6.300 1.00 5.12 H new ATOM 0 HD11 ILE A 95 -1.488 -3.897 5.043 1.00 2.01 H new ATOM 0 HD12 ILE A 95 -2.920 -2.874 4.775 1.00 2.01 H new ATOM 0 HD13 ILE A 95 -1.296 -2.146 4.787 1.00 2.01 H new ATOM 1555 N THR A 96 -1.704 -2.529 10.479 1.00 72.43 N ATOM 1556 CA THR A 96 -1.918 -3.564 11.518 1.00 65.52 C ATOM 1557 C THR A 96 -1.680 -3.013 12.944 1.00 70.43 C ATOM 1558 O THR A 96 -1.962 -3.705 13.930 1.00 11.54 O ATOM 1559 CB THR A 96 -0.996 -4.810 11.281 1.00 42.42 C ATOM 1560 OG1 THR A 96 0.344 -4.373 11.005 1.00 42.15 O ATOM 1561 CG2 THR A 96 -1.492 -5.715 10.137 1.00 21.33 C ATOM 0 H THR A 96 -0.743 -2.189 10.435 1.00 72.43 H new ATOM 0 HA THR A 96 -2.961 -3.870 11.436 1.00 65.52 H new ATOM 0 HB THR A 96 -1.023 -5.406 12.193 1.00 42.42 H new ATOM 0 HG1 THR A 96 0.466 -3.460 11.340 1.00 42.15 H new ATOM 0 HG21 THR A 96 -0.813 -6.560 10.021 1.00 21.33 H new ATOM 0 HG22 THR A 96 -2.491 -6.082 10.371 1.00 21.33 H new ATOM 0 HG23 THR A 96 -1.523 -5.144 9.209 1.00 21.33 H new