USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 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=-0.00714 X(o=0.54,f=0.54) USER MOD Set 1.2: A 89 SER OG : rot -90:sc= 0.543 USER MOD Set 2.1: A 76 THR OG1 : rot 67:sc= 1.25 USER MOD Set 2.2: A 92 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 44 SER OG : rot 122:sc= 0.298 USER MOD Set 3.2: A 85 ASN : amide:sc= 0.229 K(o=0.53,f=-3.3!) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 139:sc= -1.85 (180deg=-2.73!) USER MOD Single : A 37 THR OG1 : rot 77:sc= 1.02 USER MOD Single : A 41 LYS NZ :NH3+ -143:sc= -0.325 (180deg=-0.998) USER MOD Single : A 45 GLN : amide:sc= 0.0681 X(o=0.068,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0215 K(o=-0.021,f=-1.4!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0227) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 61 SER OG : rot 69:sc= 0.168 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= -0.0305 (180deg=-0.142) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.0436 F(o=-1,f=-0.044) USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0071) USER MOD Single : A 81 ASN : amide:sc= -0.0655 K(o=-0.066,f=-1.8!) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 93 LYS NZ :NH3+ 157:sc= 0.463 (180deg=0.178) USER MOD Single : A 96 THR OG1 : rot 22:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -5.857 9.308 5.931 1.00 2.11 N ATOM 437 CA GLU A 28 -5.838 9.444 4.465 1.00 44.21 C ATOM 438 C GLU A 28 -4.592 10.234 4.035 1.00 54.10 C ATOM 439 O GLU A 28 -3.884 9.816 3.127 1.00 1.51 O ATOM 440 CB GLU A 28 -7.100 10.153 3.903 1.00 45.14 C ATOM 441 CG GLU A 28 -7.112 10.258 2.346 1.00 74.24 C ATOM 442 CD GLU A 28 -7.776 11.529 1.789 1.00 10.43 C ATOM 443 OE1 GLU A 28 -7.389 11.971 0.679 1.00 21.14 O ATOM 444 OE2 GLU A 28 -8.669 12.101 2.450 1.00 43.13 O ATOM 0 HA GLU A 28 -5.821 8.433 4.058 1.00 44.21 H new ATOM 0 HB2 GLU A 28 -7.988 9.611 4.230 1.00 45.14 H new ATOM 0 HB3 GLU A 28 -7.164 11.155 4.328 1.00 45.14 H new ATOM 0 HG2 GLU A 28 -6.084 10.214 1.985 1.00 74.24 H new ATOM 0 HG3 GLU A 28 -7.629 9.388 1.941 1.00 74.24 H new ATOM 451 N ASN A 29 -4.326 11.365 4.729 1.00 72.05 N ATOM 452 CA ASN A 29 -3.188 12.254 4.412 1.00 24.43 C ATOM 453 C ASN A 29 -1.879 11.506 4.656 1.00 53.21 C ATOM 454 O ASN A 29 -0.957 11.561 3.843 1.00 50.21 O ATOM 455 CB ASN A 29 -3.217 13.569 5.267 1.00 51.14 C ATOM 456 CG ASN A 29 -4.306 14.571 4.851 1.00 4.34 C ATOM 457 OD1 ASN A 29 -5.367 14.206 4.340 1.00 62.21 O ATOM 458 ND2 ASN A 29 -4.049 15.855 5.075 1.00 14.21 N ATOM 0 H ASN A 29 -4.890 11.683 5.517 1.00 72.05 H new ATOM 0 HA ASN A 29 -3.267 12.542 3.364 1.00 24.43 H new ATOM 0 HB2 ASN A 29 -3.364 13.304 6.314 1.00 51.14 H new ATOM 0 HB3 ASN A 29 -2.245 14.057 5.195 1.00 51.14 H new ATOM 0 HD21 ASN A 29 -4.737 16.564 4.823 1.00 14.21 H new ATOM 0 HD22 ASN A 29 -3.164 16.131 5.499 1.00 14.21 H new ATOM 465 N GLU A 30 -1.853 10.757 5.762 1.00 63.44 N ATOM 466 CA GLU A 30 -0.661 10.051 6.231 1.00 3.05 C ATOM 467 C GLU A 30 -0.360 8.850 5.304 1.00 31.23 C ATOM 468 O GLU A 30 0.793 8.600 4.960 1.00 1.25 O ATOM 469 CB GLU A 30 -0.872 9.597 7.701 1.00 71.54 C ATOM 470 CG GLU A 30 0.393 9.098 8.424 1.00 35.32 C ATOM 471 CD GLU A 30 1.516 10.138 8.543 1.00 63.05 C ATOM 472 OE1 GLU A 30 1.253 11.260 9.033 1.00 31.31 O ATOM 473 OE2 GLU A 30 2.673 9.828 8.188 1.00 2.25 O ATOM 0 H GLU A 30 -2.667 10.623 6.361 1.00 63.44 H new ATOM 0 HA GLU A 30 0.200 10.718 6.201 1.00 3.05 H new ATOM 0 HB2 GLU A 30 -1.288 10.432 8.266 1.00 71.54 H new ATOM 0 HB3 GLU A 30 -1.616 8.801 7.715 1.00 71.54 H new ATOM 0 HG2 GLU A 30 0.116 8.766 9.425 1.00 35.32 H new ATOM 0 HG3 GLU A 30 0.778 8.227 7.894 1.00 35.32 H new ATOM 480 N LEU A 31 -1.431 8.153 4.867 1.00 33.13 N ATOM 481 CA LEU A 31 -1.306 6.968 3.945 1.00 52.14 C ATOM 482 C LEU A 31 -0.866 7.431 2.560 1.00 24.23 C ATOM 483 O LEU A 31 0.108 6.928 2.008 1.00 22.02 O ATOM 484 CB LEU A 31 -2.642 6.122 3.794 1.00 22.35 C ATOM 485 CG LEU A 31 -2.676 4.950 2.683 1.00 12.11 C ATOM 486 CD1 LEU A 31 -2.033 3.598 3.124 1.00 52.43 C ATOM 487 CD2 LEU A 31 -4.118 4.704 2.120 1.00 24.43 C ATOM 0 H LEU A 31 -2.392 8.376 5.127 1.00 33.13 H new ATOM 0 HA LEU A 31 -0.562 6.316 4.403 1.00 52.14 H new ATOM 0 HB2 LEU A 31 -2.863 5.671 4.762 1.00 22.35 H new ATOM 0 HB3 LEU A 31 -3.453 6.816 3.573 1.00 22.35 H new ATOM 0 HG LEU A 31 -2.041 5.338 1.886 1.00 12.11 H new ATOM 0 HD11 LEU A 31 -2.106 2.878 2.309 1.00 52.43 H new ATOM 0 HD12 LEU A 31 -0.984 3.758 3.374 1.00 52.43 H new ATOM 0 HD13 LEU A 31 -2.559 3.213 3.997 1.00 52.43 H new ATOM 0 HD21 LEU A 31 -4.087 3.907 1.377 1.00 24.43 H new ATOM 0 HD22 LEU A 31 -4.782 4.415 2.935 1.00 24.43 H new ATOM 0 HD23 LEU A 31 -4.488 5.618 1.656 1.00 24.43 H new ATOM 499 N ARG A 32 -1.600 8.415 2.032 1.00 42.32 N ATOM 500 CA ARG A 32 -1.405 8.969 0.678 1.00 63.11 C ATOM 501 C ARG A 32 -0.007 9.622 0.556 1.00 34.23 C ATOM 502 O ARG A 32 0.586 9.626 -0.534 1.00 43.45 O ATOM 503 CB ARG A 32 -2.550 9.992 0.410 1.00 42.40 C ATOM 504 CG ARG A 32 -2.835 10.353 -1.054 1.00 2.41 C ATOM 505 CD ARG A 32 -4.020 11.333 -1.168 1.00 21.11 C ATOM 506 NE ARG A 32 -4.343 11.686 -2.561 1.00 23.12 N ATOM 507 CZ ARG A 32 -5.509 12.235 -2.961 1.00 72.22 C ATOM 508 NH1 ARG A 32 -6.471 12.503 -2.078 1.00 1.12 N ATOM 509 NH2 ARG A 32 -5.689 12.522 -4.241 1.00 4.11 N ATOM 0 H ARG A 32 -2.363 8.862 2.540 1.00 42.32 H new ATOM 0 HA ARG A 32 -1.446 8.179 -0.072 1.00 63.11 H new ATOM 0 HB2 ARG A 32 -3.467 9.595 0.845 1.00 42.40 H new ATOM 0 HB3 ARG A 32 -2.315 10.912 0.946 1.00 42.40 H new ATOM 0 HG2 ARG A 32 -1.947 10.800 -1.500 1.00 2.41 H new ATOM 0 HG3 ARG A 32 -3.054 9.447 -1.618 1.00 2.41 H new ATOM 0 HD2 ARG A 32 -4.898 10.889 -0.699 1.00 21.11 H new ATOM 0 HD3 ARG A 32 -3.787 12.242 -0.613 1.00 21.11 H new ATOM 0 HE ARG A 32 -3.636 11.503 -3.273 1.00 23.12 H new ATOM 0 HH11 ARG A 32 -6.329 12.293 -1.090 1.00 1.12 H new ATOM 0 HH12 ARG A 32 -7.349 12.918 -2.390 1.00 1.12 H new ATOM 0 HH21 ARG A 32 -4.949 12.328 -4.916 1.00 4.11 H new ATOM 0 HH22 ARG A 32 -6.567 12.937 -4.552 1.00 4.11 H new ATOM 523 N SER A 33 0.525 10.141 1.695 1.00 14.10 N ATOM 524 CA SER A 33 1.871 10.745 1.759 1.00 60.33 C ATOM 525 C SER A 33 2.956 9.654 1.753 1.00 55.41 C ATOM 526 O SER A 33 3.947 9.762 1.026 1.00 44.44 O ATOM 527 CB SER A 33 2.006 11.617 3.026 1.00 72.04 C ATOM 528 OG SER A 33 3.153 12.453 2.972 1.00 44.23 O ATOM 0 H SER A 33 0.030 10.149 2.587 1.00 14.10 H new ATOM 0 HA SER A 33 2.006 11.374 0.879 1.00 60.33 H new ATOM 0 HB2 SER A 33 1.113 12.232 3.141 1.00 72.04 H new ATOM 0 HB3 SER A 33 2.066 10.975 3.905 1.00 72.04 H new ATOM 0 HG SER A 33 3.204 12.991 3.789 1.00 44.23 H new ATOM 534 N MET A 34 2.734 8.588 2.547 1.00 75.33 N ATOM 535 CA MET A 34 3.689 7.459 2.659 1.00 4.23 C ATOM 536 C MET A 34 3.662 6.600 1.384 1.00 72.52 C ATOM 537 O MET A 34 4.662 5.959 1.043 1.00 3.11 O ATOM 538 CB MET A 34 3.389 6.568 3.908 1.00 54.14 C ATOM 539 CG MET A 34 3.608 7.230 5.292 1.00 30.34 C ATOM 540 SD MET A 34 3.206 6.121 6.649 1.00 71.24 S ATOM 541 CE MET A 34 4.307 4.758 6.301 1.00 72.53 C ATOM 0 H MET A 34 1.899 8.482 3.124 1.00 75.33 H new ATOM 0 HA MET A 34 4.684 7.887 2.782 1.00 4.23 H new ATOM 0 HB2 MET A 34 2.353 6.233 3.849 1.00 54.14 H new ATOM 0 HB3 MET A 34 4.015 5.678 3.852 1.00 54.14 H new ATOM 0 HG2 MET A 34 4.647 7.547 5.380 1.00 30.34 H new ATOM 0 HG3 MET A 34 2.993 8.127 5.365 1.00 30.34 H new ATOM 0 HE1 MET A 34 4.742 4.395 7.232 1.00 72.53 H new ATOM 0 HE2 MET A 34 3.749 3.953 5.823 1.00 72.53 H new ATOM 0 HE3 MET A 34 5.102 5.094 5.636 1.00 72.53 H new ATOM 551 N LEU A 35 2.518 6.622 0.679 1.00 33.54 N ATOM 552 CA LEU A 35 2.319 5.848 -0.568 1.00 32.51 C ATOM 553 C LEU A 35 3.007 6.615 -1.707 1.00 32.35 C ATOM 554 O LEU A 35 3.683 6.006 -2.525 1.00 4.12 O ATOM 555 CB LEU A 35 0.780 5.576 -0.844 1.00 55.43 C ATOM 556 CG LEU A 35 0.377 4.360 -1.778 1.00 2.33 C ATOM 557 CD1 LEU A 35 -1.127 4.025 -1.635 1.00 50.21 C ATOM 558 CD2 LEU A 35 0.726 4.611 -3.257 1.00 3.25 C ATOM 0 H LEU A 35 1.705 7.174 0.953 1.00 33.54 H new ATOM 0 HA LEU A 35 2.769 4.859 -0.482 1.00 32.51 H new ATOM 0 HB2 LEU A 35 0.293 5.428 0.120 1.00 55.43 H new ATOM 0 HB3 LEU A 35 0.357 6.481 -1.279 1.00 55.43 H new ATOM 0 HG LEU A 35 0.965 3.505 -1.444 1.00 2.33 H new ATOM 0 HD11 LEU A 35 -1.377 3.187 -2.286 1.00 50.21 H new ATOM 0 HD12 LEU A 35 -1.343 3.757 -0.601 1.00 50.21 H new ATOM 0 HD13 LEU A 35 -1.722 4.894 -1.917 1.00 50.21 H new ATOM 0 HD21 LEU A 35 0.429 3.748 -3.852 1.00 3.25 H new ATOM 0 HD22 LEU A 35 0.196 5.495 -3.611 1.00 3.25 H new ATOM 0 HD23 LEU A 35 1.800 4.768 -3.356 1.00 3.25 H new ATOM 570 N ALA A 36 2.872 7.963 -1.704 1.00 30.24 N ATOM 571 CA ALA A 36 3.627 8.854 -2.611 1.00 64.21 C ATOM 572 C ALA A 36 5.144 8.598 -2.501 1.00 65.00 C ATOM 573 O ALA A 36 5.828 8.408 -3.510 1.00 54.32 O ATOM 574 CB ALA A 36 3.330 10.320 -2.283 1.00 14.21 C ATOM 0 H ALA A 36 2.240 8.459 -1.076 1.00 30.24 H new ATOM 0 HA ALA A 36 3.310 8.640 -3.632 1.00 64.21 H new ATOM 0 HB1 ALA A 36 3.892 10.965 -2.958 1.00 14.21 H new ATOM 0 HB2 ALA A 36 2.264 10.511 -2.403 1.00 14.21 H new ATOM 0 HB3 ALA A 36 3.622 10.529 -1.254 1.00 14.21 H new ATOM 580 N THR A 37 5.634 8.570 -1.249 1.00 15.30 N ATOM 581 CA THR A 37 7.050 8.330 -0.932 1.00 51.31 C ATOM 582 C THR A 37 7.496 6.923 -1.394 1.00 32.04 C ATOM 583 O THR A 37 8.584 6.760 -1.955 1.00 73.13 O ATOM 584 CB THR A 37 7.281 8.506 0.604 1.00 11.45 C ATOM 585 OG1 THR A 37 6.759 9.781 1.013 1.00 10.15 O ATOM 586 CG2 THR A 37 8.769 8.414 1.000 1.00 20.32 C ATOM 0 H THR A 37 5.053 8.715 -0.424 1.00 15.30 H new ATOM 0 HA THR A 37 7.656 9.059 -1.471 1.00 51.31 H new ATOM 0 HB THR A 37 6.763 7.690 1.108 1.00 11.45 H new ATOM 0 HG1 THR A 37 5.782 9.732 1.070 1.00 10.15 H new ATOM 0 HG21 THR A 37 8.867 8.544 2.078 1.00 20.32 H new ATOM 0 HG22 THR A 37 9.162 7.438 0.715 1.00 20.32 H new ATOM 0 HG23 THR A 37 9.331 9.195 0.488 1.00 20.32 H new ATOM 594 N ALA A 38 6.618 5.926 -1.187 1.00 52.01 N ATOM 595 CA ALA A 38 6.876 4.521 -1.567 1.00 64.42 C ATOM 596 C ALA A 38 6.909 4.329 -3.098 1.00 13.12 C ATOM 597 O ALA A 38 7.639 3.472 -3.594 1.00 65.45 O ATOM 598 CB ALA A 38 5.843 3.592 -0.919 1.00 61.32 C ATOM 0 H ALA A 38 5.707 6.069 -0.751 1.00 52.01 H new ATOM 0 HA ALA A 38 7.866 4.258 -1.193 1.00 64.42 H new ATOM 0 HB1 ALA A 38 6.048 2.562 -1.209 1.00 61.32 H new ATOM 0 HB2 ALA A 38 5.902 3.682 0.166 1.00 61.32 H new ATOM 0 HB3 ALA A 38 4.843 3.871 -1.252 1.00 61.32 H new ATOM 604 N LEU A 39 6.133 5.154 -3.837 1.00 32.25 N ATOM 605 CA LEU A 39 6.144 5.152 -5.320 1.00 41.22 C ATOM 606 C LEU A 39 7.484 5.714 -5.846 1.00 54.02 C ATOM 607 O LEU A 39 7.947 5.326 -6.917 1.00 54.14 O ATOM 608 CB LEU A 39 4.966 6.002 -5.904 1.00 0.32 C ATOM 609 CG LEU A 39 3.478 5.569 -5.616 1.00 2.42 C ATOM 610 CD1 LEU A 39 2.489 6.680 -6.048 1.00 54.14 C ATOM 611 CD2 LEU A 39 3.108 4.210 -6.266 1.00 60.01 C ATOM 0 H LEU A 39 5.489 5.832 -3.430 1.00 32.25 H new ATOM 0 HA LEU A 39 6.022 4.119 -5.646 1.00 41.22 H new ATOM 0 HB2 LEU A 39 5.086 7.021 -5.537 1.00 0.32 H new ATOM 0 HB3 LEU A 39 5.093 6.035 -6.986 1.00 0.32 H new ATOM 0 HG LEU A 39 3.396 5.427 -4.538 1.00 2.42 H new ATOM 0 HD11 LEU A 39 1.468 6.359 -5.840 1.00 54.14 H new ATOM 0 HD12 LEU A 39 2.703 7.593 -5.493 1.00 54.14 H new ATOM 0 HD13 LEU A 39 2.599 6.870 -7.116 1.00 54.14 H new ATOM 0 HD21 LEU A 39 2.072 3.965 -6.033 1.00 60.01 H new ATOM 0 HD22 LEU A 39 3.230 4.278 -7.347 1.00 60.01 H new ATOM 0 HD23 LEU A 39 3.762 3.430 -5.876 1.00 60.01 H new ATOM 623 N GLU A 40 8.090 6.643 -5.081 1.00 54.01 N ATOM 624 CA GLU A 40 9.382 7.260 -5.448 1.00 70.33 C ATOM 625 C GLU A 40 10.559 6.372 -5.028 1.00 64.10 C ATOM 626 O GLU A 40 11.643 6.460 -5.613 1.00 61.41 O ATOM 627 CB GLU A 40 9.495 8.673 -4.834 1.00 50.52 C ATOM 628 CG GLU A 40 8.377 9.634 -5.270 1.00 25.32 C ATOM 629 CD GLU A 40 8.324 9.868 -6.791 1.00 43.02 C ATOM 630 OE1 GLU A 40 9.040 10.759 -7.291 1.00 24.42 O ATOM 631 OE2 GLU A 40 7.549 9.168 -7.495 1.00 1.40 O ATOM 0 H GLU A 40 7.704 6.985 -4.201 1.00 54.01 H new ATOM 0 HA GLU A 40 9.421 7.357 -6.533 1.00 70.33 H new ATOM 0 HB2 GLU A 40 9.484 8.588 -3.747 1.00 50.52 H new ATOM 0 HB3 GLU A 40 10.458 9.102 -5.110 1.00 50.52 H new ATOM 0 HG2 GLU A 40 7.418 9.237 -4.938 1.00 25.32 H new ATOM 0 HG3 GLU A 40 8.516 10.592 -4.768 1.00 25.32 H new ATOM 638 N LYS A 41 10.334 5.526 -4.007 1.00 24.31 N ATOM 639 CA LYS A 41 11.277 4.454 -3.630 1.00 52.23 C ATOM 640 C LYS A 41 11.290 3.378 -4.732 1.00 3.04 C ATOM 641 O LYS A 41 10.242 3.093 -5.319 1.00 54.42 O ATOM 642 CB LYS A 41 10.893 3.811 -2.265 1.00 44.23 C ATOM 643 CG LYS A 41 11.045 4.723 -1.027 1.00 42.22 C ATOM 644 CD LYS A 41 12.498 5.252 -0.845 1.00 21.45 C ATOM 645 CE LYS A 41 12.741 6.045 0.467 1.00 4.14 C ATOM 646 NZ LYS A 41 11.670 7.030 0.752 1.00 53.13 N ATOM 0 H LYS A 41 9.499 5.564 -3.422 1.00 24.31 H new ATOM 0 HA LYS A 41 12.270 4.891 -3.523 1.00 52.23 H new ATOM 0 HB2 LYS A 41 9.857 3.476 -2.321 1.00 44.23 H new ATOM 0 HB3 LYS A 41 11.508 2.923 -2.117 1.00 44.23 H new ATOM 0 HG2 LYS A 41 10.364 5.569 -1.118 1.00 42.22 H new ATOM 0 HG3 LYS A 41 10.750 4.170 -0.135 1.00 42.22 H new ATOM 0 HD2 LYS A 41 13.184 4.406 -0.874 1.00 21.45 H new ATOM 0 HD3 LYS A 41 12.745 5.892 -1.692 1.00 21.45 H new ATOM 0 HE2 LYS A 41 12.816 5.346 1.300 1.00 4.14 H new ATOM 0 HE3 LYS A 41 13.697 6.564 0.400 1.00 4.14 H new ATOM 0 HZ1 LYS A 41 12.088 7.886 1.171 1.00 53.13 H new ATOM 0 HZ2 LYS A 41 11.183 7.279 -0.133 1.00 53.13 H new ATOM 0 HZ3 LYS A 41 10.987 6.617 1.418 1.00 53.13 H new ATOM 660 N ASP A 42 12.477 2.797 -5.003 1.00 54.01 N ATOM 661 CA ASP A 42 12.661 1.784 -6.070 1.00 3.44 C ATOM 662 C ASP A 42 11.922 0.481 -5.706 1.00 41.02 C ATOM 663 O ASP A 42 12.414 -0.332 -4.910 1.00 11.23 O ATOM 664 CB ASP A 42 14.173 1.513 -6.328 1.00 35.41 C ATOM 665 CG ASP A 42 14.911 2.732 -6.910 1.00 51.05 C ATOM 666 OD1 ASP A 42 15.273 3.644 -6.136 1.00 52.40 O ATOM 667 OD2 ASP A 42 15.121 2.797 -8.143 1.00 54.44 O ATOM 0 H ASP A 42 13.333 3.014 -4.492 1.00 54.01 H new ATOM 0 HA ASP A 42 12.232 2.176 -6.992 1.00 3.44 H new ATOM 0 HB2 ASP A 42 14.649 1.220 -5.392 1.00 35.41 H new ATOM 0 HB3 ASP A 42 14.274 0.672 -7.014 1.00 35.41 H new ATOM 672 N ILE A 43 10.714 0.317 -6.256 1.00 1.22 N ATOM 673 CA ILE A 43 9.822 -0.814 -5.936 1.00 40.15 C ATOM 674 C ILE A 43 9.694 -1.782 -7.130 1.00 40.42 C ATOM 675 O ILE A 43 9.760 -1.366 -8.293 1.00 23.30 O ATOM 676 CB ILE A 43 8.413 -0.297 -5.465 1.00 21.42 C ATOM 677 CG1 ILE A 43 7.747 0.634 -6.532 1.00 14.02 C ATOM 678 CG2 ILE A 43 8.535 0.409 -4.093 1.00 43.01 C ATOM 679 CD1 ILE A 43 6.403 1.217 -6.119 1.00 63.53 C ATOM 0 H ILE A 43 10.322 0.965 -6.939 1.00 1.22 H new ATOM 0 HA ILE A 43 10.268 -1.371 -5.112 1.00 40.15 H new ATOM 0 HB ILE A 43 7.757 -1.160 -5.352 1.00 21.42 H new ATOM 0 HG12 ILE A 43 8.430 1.454 -6.756 1.00 14.02 H new ATOM 0 HG13 ILE A 43 7.614 0.069 -7.455 1.00 14.02 H new ATOM 0 HG21 ILE A 43 7.554 0.763 -3.777 1.00 43.01 H new ATOM 0 HG22 ILE A 43 8.922 -0.294 -3.355 1.00 43.01 H new ATOM 0 HG23 ILE A 43 9.215 1.256 -4.179 1.00 43.01 H new ATOM 0 HD11 ILE A 43 6.018 1.848 -6.920 1.00 63.53 H new ATOM 0 HD12 ILE A 43 5.699 0.407 -5.925 1.00 63.53 H new ATOM 0 HD13 ILE A 43 6.527 1.814 -5.215 1.00 63.53 H new ATOM 691 N SER A 44 9.509 -3.067 -6.815 1.00 33.52 N ATOM 692 CA SER A 44 9.457 -4.177 -7.803 1.00 41.42 C ATOM 693 C SER A 44 8.089 -4.179 -8.537 1.00 42.20 C ATOM 694 O SER A 44 7.111 -3.692 -7.974 1.00 24.33 O ATOM 695 CB SER A 44 9.726 -5.509 -7.043 1.00 71.51 C ATOM 696 OG SER A 44 10.857 -5.372 -6.191 1.00 14.55 O ATOM 0 H SER A 44 9.388 -3.383 -5.853 1.00 33.52 H new ATOM 0 HA SER A 44 10.219 -4.052 -8.572 1.00 41.42 H new ATOM 0 HB2 SER A 44 8.850 -5.783 -6.455 1.00 71.51 H new ATOM 0 HB3 SER A 44 9.896 -6.315 -7.757 1.00 71.51 H new ATOM 0 HG SER A 44 10.596 -5.567 -5.267 1.00 14.55 H new ATOM 702 N GLN A 45 8.044 -4.698 -9.800 1.00 50.11 N ATOM 703 CA GLN A 45 6.849 -4.668 -10.680 1.00 42.11 C ATOM 704 C GLN A 45 5.493 -5.000 -9.973 1.00 62.01 C ATOM 705 O GLN A 45 4.513 -4.266 -10.163 1.00 72.41 O ATOM 706 CB GLN A 45 7.062 -5.586 -11.915 1.00 72.35 C ATOM 707 CG GLN A 45 5.890 -5.592 -12.916 1.00 51.21 C ATOM 708 CD GLN A 45 6.056 -6.612 -14.039 1.00 72.31 C ATOM 709 OE1 GLN A 45 6.627 -6.310 -15.090 1.00 63.43 O ATOM 710 NE2 GLN A 45 5.599 -7.834 -13.807 1.00 60.44 N ATOM 0 H GLN A 45 8.848 -5.152 -10.234 1.00 50.11 H new ATOM 0 HA GLN A 45 6.754 -3.629 -10.995 1.00 42.11 H new ATOM 0 HB2 GLN A 45 7.966 -5.270 -12.435 1.00 72.35 H new ATOM 0 HB3 GLN A 45 7.233 -6.605 -11.569 1.00 72.35 H new ATOM 0 HG2 GLN A 45 4.965 -5.801 -12.379 1.00 51.21 H new ATOM 0 HG3 GLN A 45 5.788 -4.598 -13.351 1.00 51.21 H new ATOM 0 HE21 GLN A 45 5.132 -8.045 -12.925 1.00 60.44 H new ATOM 0 HE22 GLN A 45 5.714 -8.564 -14.510 1.00 60.44 H new ATOM 719 N GLU A 46 5.443 -6.057 -9.128 1.00 21.34 N ATOM 720 CA GLU A 46 4.167 -6.523 -8.506 1.00 43.44 C ATOM 721 C GLU A 46 3.770 -5.628 -7.314 1.00 15.12 C ATOM 722 O GLU A 46 2.586 -5.552 -6.958 1.00 12.11 O ATOM 723 CB GLU A 46 4.253 -8.005 -8.031 1.00 45.42 C ATOM 724 CG GLU A 46 4.488 -9.066 -9.134 1.00 34.33 C ATOM 725 CD GLU A 46 5.890 -9.017 -9.760 1.00 30.30 C ATOM 726 OE1 GLU A 46 6.016 -8.765 -10.974 1.00 1.24 O ATOM 727 OE2 GLU A 46 6.873 -9.224 -9.019 1.00 4.03 O ATOM 0 H GLU A 46 6.261 -6.604 -8.859 1.00 21.34 H new ATOM 0 HA GLU A 46 3.403 -6.454 -9.281 1.00 43.44 H new ATOM 0 HB2 GLU A 46 5.060 -8.085 -7.302 1.00 45.42 H new ATOM 0 HB3 GLU A 46 3.328 -8.252 -7.510 1.00 45.42 H new ATOM 0 HG2 GLU A 46 4.325 -10.057 -8.711 1.00 34.33 H new ATOM 0 HG3 GLU A 46 3.745 -8.929 -9.920 1.00 34.33 H new ATOM 734 N GLU A 47 4.767 -4.963 -6.710 1.00 10.15 N ATOM 735 CA GLU A 47 4.556 -4.024 -5.589 1.00 5.42 C ATOM 736 C GLU A 47 4.045 -2.680 -6.131 1.00 50.44 C ATOM 737 O GLU A 47 3.140 -2.061 -5.553 1.00 72.34 O ATOM 738 CB GLU A 47 5.879 -3.835 -4.804 1.00 15.23 C ATOM 739 CG GLU A 47 5.871 -2.767 -3.685 1.00 32.15 C ATOM 740 CD GLU A 47 7.182 -2.736 -2.885 1.00 11.44 C ATOM 741 OE1 GLU A 47 8.254 -3.042 -3.463 1.00 33.15 O ATOM 742 OE2 GLU A 47 7.149 -2.403 -1.686 1.00 71.32 O ATOM 0 H GLU A 47 5.745 -5.059 -6.983 1.00 10.15 H new ATOM 0 HA GLU A 47 3.808 -4.431 -4.908 1.00 5.42 H new ATOM 0 HB2 GLU A 47 6.152 -4.792 -4.360 1.00 15.23 H new ATOM 0 HB3 GLU A 47 6.664 -3.578 -5.515 1.00 15.23 H new ATOM 0 HG2 GLU A 47 5.696 -1.786 -4.126 1.00 32.15 H new ATOM 0 HG3 GLU A 47 5.041 -2.964 -3.007 1.00 32.15 H new ATOM 749 N ARG A 48 4.633 -2.269 -7.272 1.00 2.54 N ATOM 750 CA ARG A 48 4.197 -1.093 -8.044 1.00 73.44 C ATOM 751 C ARG A 48 2.746 -1.286 -8.501 1.00 34.32 C ATOM 752 O ARG A 48 1.941 -0.358 -8.449 1.00 22.15 O ATOM 753 CB ARG A 48 5.120 -0.895 -9.272 1.00 21.52 C ATOM 754 CG ARG A 48 4.930 0.433 -10.039 1.00 60.43 C ATOM 755 CD ARG A 48 5.713 0.450 -11.361 1.00 55.24 C ATOM 756 NE ARG A 48 5.647 1.742 -12.062 1.00 23.32 N ATOM 757 CZ ARG A 48 6.326 2.033 -13.191 1.00 72.01 C ATOM 758 NH1 ARG A 48 7.118 1.126 -13.764 1.00 21.43 N ATOM 759 NH2 ARG A 48 6.233 3.252 -13.717 1.00 13.42 N ATOM 0 H ARG A 48 5.432 -2.750 -7.686 1.00 2.54 H new ATOM 0 HA ARG A 48 4.257 -0.206 -7.413 1.00 73.44 H new ATOM 0 HB2 ARG A 48 6.156 -0.958 -8.940 1.00 21.52 H new ATOM 0 HB3 ARG A 48 4.957 -1.721 -9.964 1.00 21.52 H new ATOM 0 HG2 ARG A 48 3.870 0.586 -10.243 1.00 60.43 H new ATOM 0 HG3 ARG A 48 5.257 1.263 -9.413 1.00 60.43 H new ATOM 0 HD2 ARG A 48 6.756 0.207 -11.160 1.00 55.24 H new ATOM 0 HD3 ARG A 48 5.324 -0.330 -12.015 1.00 55.24 H new ATOM 0 HE ARG A 48 5.047 2.467 -11.668 1.00 23.32 H new ATOM 0 HH11 ARG A 48 7.216 0.199 -13.349 1.00 21.43 H new ATOM 0 HH12 ARG A 48 7.626 1.359 -14.617 1.00 21.43 H new ATOM 0 HH21 ARG A 48 5.651 3.959 -13.267 1.00 13.42 H new ATOM 0 HH22 ARG A 48 6.743 3.480 -14.570 1.00 13.42 H new ATOM 773 N ASN A 49 2.446 -2.535 -8.915 1.00 4.53 N ATOM 774 CA ASN A 49 1.111 -2.955 -9.357 1.00 31.21 C ATOM 775 C ASN A 49 0.112 -2.804 -8.193 1.00 53.15 C ATOM 776 O ASN A 49 -0.935 -2.190 -8.361 1.00 33.23 O ATOM 777 CB ASN A 49 1.161 -4.421 -9.878 1.00 62.20 C ATOM 778 CG ASN A 49 -0.079 -4.865 -10.675 1.00 11.41 C ATOM 779 OD1 ASN A 49 -1.199 -4.422 -10.433 1.00 2.01 O ATOM 780 ND2 ASN A 49 0.109 -5.756 -11.640 1.00 34.14 N ATOM 0 H ASN A 49 3.137 -3.285 -8.950 1.00 4.53 H new ATOM 0 HA ASN A 49 0.777 -2.321 -10.178 1.00 31.21 H new ATOM 0 HB2 ASN A 49 2.042 -4.538 -10.509 1.00 62.20 H new ATOM 0 HB3 ASN A 49 1.287 -5.090 -9.027 1.00 62.20 H new ATOM 0 HD21 ASN A 49 -0.683 -6.083 -12.194 1.00 34.14 H new ATOM 0 HD22 ASN A 49 1.045 -6.114 -11.828 1.00 34.14 H new ATOM 787 N ALA A 50 0.494 -3.322 -7.004 1.00 52.32 N ATOM 788 CA ALA A 50 -0.352 -3.294 -5.787 1.00 51.24 C ATOM 789 C ALA A 50 -0.709 -1.856 -5.325 1.00 54.21 C ATOM 790 O ALA A 50 -1.876 -1.576 -4.999 1.00 32.40 O ATOM 791 CB ALA A 50 0.345 -4.056 -4.654 1.00 33.24 C ATOM 0 H ALA A 50 1.398 -3.772 -6.860 1.00 52.32 H new ATOM 0 HA ALA A 50 -1.294 -3.780 -6.042 1.00 51.24 H new ATOM 0 HB1 ALA A 50 -0.280 -4.033 -3.761 1.00 33.24 H new ATOM 0 HB2 ALA A 50 0.507 -5.090 -4.957 1.00 33.24 H new ATOM 0 HB3 ALA A 50 1.305 -3.587 -4.437 1.00 33.24 H new ATOM 797 N LEU A 51 0.301 -0.957 -5.285 1.00 60.41 N ATOM 798 CA LEU A 51 0.099 0.444 -4.834 1.00 2.04 C ATOM 799 C LEU A 51 -0.609 1.291 -5.931 1.00 41.20 C ATOM 800 O LEU A 51 -1.280 2.290 -5.617 1.00 21.25 O ATOM 801 CB LEU A 51 1.448 1.105 -4.386 1.00 54.34 C ATOM 802 CG LEU A 51 2.325 0.379 -3.285 1.00 64.02 C ATOM 803 CD1 LEU A 51 3.594 1.208 -2.939 1.00 70.52 C ATOM 804 CD2 LEU A 51 1.535 0.048 -1.992 1.00 74.40 C ATOM 0 H LEU A 51 1.260 -1.173 -5.557 1.00 60.41 H new ATOM 0 HA LEU A 51 -0.554 0.416 -3.962 1.00 2.04 H new ATOM 0 HB2 LEU A 51 2.068 1.226 -5.275 1.00 54.34 H new ATOM 0 HB3 LEU A 51 1.219 2.105 -4.019 1.00 54.34 H new ATOM 0 HG LEU A 51 2.626 -0.571 -3.726 1.00 64.02 H new ATOM 0 HD11 LEU A 51 4.175 0.684 -2.181 1.00 70.52 H new ATOM 0 HD12 LEU A 51 4.200 1.337 -3.836 1.00 70.52 H new ATOM 0 HD13 LEU A 51 3.297 2.185 -2.558 1.00 70.52 H new ATOM 0 HD21 LEU A 51 2.194 -0.448 -1.280 1.00 74.40 H new ATOM 0 HD22 LEU A 51 1.154 0.970 -1.553 1.00 74.40 H new ATOM 0 HD23 LEU A 51 0.701 -0.611 -2.234 1.00 74.40 H new ATOM 816 N ASN A 52 -0.476 0.881 -7.209 1.00 1.15 N ATOM 817 CA ASN A 52 -1.246 1.485 -8.330 1.00 72.10 C ATOM 818 C ASN A 52 -2.728 1.084 -8.246 1.00 30.41 C ATOM 819 O ASN A 52 -3.620 1.913 -8.489 1.00 25.25 O ATOM 820 CB ASN A 52 -0.656 1.111 -9.720 1.00 2.23 C ATOM 821 CG ASN A 52 0.557 1.965 -10.128 1.00 62.11 C ATOM 822 OD1 ASN A 52 1.322 2.439 -9.285 1.00 21.14 O ATOM 823 ND2 ASN A 52 0.726 2.172 -11.433 1.00 62.12 N ATOM 0 H ASN A 52 0.156 0.134 -7.497 1.00 1.15 H new ATOM 0 HA ASN A 52 -1.166 2.567 -8.228 1.00 72.10 H new ATOM 0 HB2 ASN A 52 -0.363 0.061 -9.710 1.00 2.23 H new ATOM 0 HB3 ASN A 52 -1.434 1.217 -10.476 1.00 2.23 H new ATOM 0 HD21 ASN A 52 1.508 2.738 -11.763 1.00 62.12 H new ATOM 0 HD22 ASN A 52 0.074 1.764 -12.103 1.00 62.12 H new ATOM 830 N ILE A 53 -2.976 -0.189 -7.870 1.00 62.15 N ATOM 831 CA ILE A 53 -4.334 -0.723 -7.634 1.00 64.45 C ATOM 832 C ILE A 53 -4.980 0.069 -6.486 1.00 73.44 C ATOM 833 O ILE A 53 -6.163 0.436 -6.550 1.00 32.34 O ATOM 834 CB ILE A 53 -4.308 -2.270 -7.287 1.00 50.31 C ATOM 835 CG1 ILE A 53 -3.911 -3.124 -8.534 1.00 63.01 C ATOM 836 CG2 ILE A 53 -5.656 -2.752 -6.694 1.00 70.40 C ATOM 837 CD1 ILE A 53 -3.804 -4.623 -8.268 1.00 64.53 C ATOM 0 H ILE A 53 -2.238 -0.877 -7.721 1.00 62.15 H new ATOM 0 HA ILE A 53 -4.918 -0.611 -8.548 1.00 64.45 H new ATOM 0 HB ILE A 53 -3.545 -2.412 -6.522 1.00 50.31 H new ATOM 0 HG12 ILE A 53 -4.648 -2.959 -9.320 1.00 63.01 H new ATOM 0 HG13 ILE A 53 -2.954 -2.766 -8.914 1.00 63.01 H new ATOM 0 HG21 ILE A 53 -5.595 -3.817 -6.471 1.00 70.40 H new ATOM 0 HG22 ILE A 53 -5.868 -2.201 -5.778 1.00 70.40 H new ATOM 0 HG23 ILE A 53 -6.454 -2.578 -7.416 1.00 70.40 H new ATOM 0 HD11 ILE A 53 -3.524 -5.137 -9.188 1.00 64.53 H new ATOM 0 HD12 ILE A 53 -3.046 -4.804 -7.506 1.00 64.53 H new ATOM 0 HD13 ILE A 53 -4.765 -5.000 -7.920 1.00 64.53 H new ATOM 849 N ALA A 54 -4.158 0.352 -5.456 1.00 32.20 N ATOM 850 CA ALA A 54 -4.569 1.140 -4.291 1.00 1.33 C ATOM 851 C ALA A 54 -5.076 2.529 -4.712 1.00 22.15 C ATOM 852 O ALA A 54 -6.253 2.831 -4.504 1.00 40.21 O ATOM 853 CB ALA A 54 -3.420 1.255 -3.279 1.00 64.31 C ATOM 0 H ALA A 54 -3.189 0.037 -5.414 1.00 32.20 H new ATOM 0 HA ALA A 54 -5.395 0.619 -3.807 1.00 1.33 H new ATOM 0 HB1 ALA A 54 -3.747 1.844 -2.422 1.00 64.31 H new ATOM 0 HB2 ALA A 54 -3.129 0.259 -2.945 1.00 64.31 H new ATOM 0 HB3 ALA A 54 -2.567 1.743 -3.751 1.00 64.31 H new ATOM 859 N GLU A 55 -4.209 3.328 -5.384 1.00 11.00 N ATOM 860 CA GLU A 55 -4.499 4.747 -5.704 1.00 21.42 C ATOM 861 C GLU A 55 -5.680 4.897 -6.684 1.00 21.35 C ATOM 862 O GLU A 55 -6.558 5.765 -6.493 1.00 75.45 O ATOM 863 CB GLU A 55 -3.240 5.447 -6.268 1.00 61.13 C ATOM 864 CG GLU A 55 -3.416 6.956 -6.558 1.00 3.51 C ATOM 865 CD GLU A 55 -2.138 7.615 -7.087 1.00 61.20 C ATOM 866 OE1 GLU A 55 -1.271 8.003 -6.274 1.00 44.34 O ATOM 867 OE2 GLU A 55 -1.998 7.748 -8.322 1.00 52.12 O ATOM 0 H GLU A 55 -3.298 3.010 -5.716 1.00 11.00 H new ATOM 0 HA GLU A 55 -4.789 5.231 -4.771 1.00 21.42 H new ATOM 0 HB2 GLU A 55 -2.422 5.320 -5.559 1.00 61.13 H new ATOM 0 HB3 GLU A 55 -2.944 4.946 -7.190 1.00 61.13 H new ATOM 0 HG2 GLU A 55 -4.216 7.090 -7.286 1.00 3.51 H new ATOM 0 HG3 GLU A 55 -3.728 7.462 -5.645 1.00 3.51 H new ATOM 874 N LYS A 56 -5.711 4.024 -7.711 1.00 51.33 N ATOM 875 CA LYS A 56 -6.759 4.050 -8.755 1.00 35.24 C ATOM 876 C LYS A 56 -8.128 3.748 -8.097 1.00 43.40 C ATOM 877 O LYS A 56 -9.144 4.352 -8.457 1.00 63.42 O ATOM 878 CB LYS A 56 -6.414 3.033 -9.901 1.00 62.04 C ATOM 879 CG LYS A 56 -7.034 3.309 -11.303 1.00 14.25 C ATOM 880 CD LYS A 56 -8.562 3.064 -11.392 1.00 24.12 C ATOM 881 CE LYS A 56 -9.125 3.257 -12.813 1.00 60.52 C ATOM 882 NZ LYS A 56 -8.872 4.623 -13.343 1.00 22.33 N ATOM 0 H LYS A 56 -5.018 3.287 -7.841 1.00 51.33 H new ATOM 0 HA LYS A 56 -6.810 5.037 -9.215 1.00 35.24 H new ATOM 0 HB2 LYS A 56 -5.330 3.001 -10.010 1.00 62.04 H new ATOM 0 HB3 LYS A 56 -6.731 2.041 -9.580 1.00 62.04 H new ATOM 0 HG2 LYS A 56 -6.828 4.343 -11.580 1.00 14.25 H new ATOM 0 HG3 LYS A 56 -6.535 2.677 -12.037 1.00 14.25 H new ATOM 0 HD2 LYS A 56 -8.781 2.051 -11.056 1.00 24.12 H new ATOM 0 HD3 LYS A 56 -9.073 3.744 -10.710 1.00 24.12 H new ATOM 0 HE2 LYS A 56 -8.676 2.522 -13.481 1.00 60.52 H new ATOM 0 HE3 LYS A 56 -10.198 3.067 -12.804 1.00 60.52 H new ATOM 0 HZ1 LYS A 56 -9.328 4.725 -14.272 1.00 22.33 H new ATOM 0 HZ2 LYS A 56 -9.263 5.328 -12.686 1.00 22.33 H new ATOM 0 HZ3 LYS A 56 -7.848 4.773 -13.442 1.00 22.33 H new ATOM 896 N ALA A 57 -8.122 2.849 -7.088 1.00 12.00 N ATOM 897 CA ALA A 57 -9.337 2.489 -6.343 1.00 63.11 C ATOM 898 C ALA A 57 -9.708 3.560 -5.291 1.00 74.03 C ATOM 899 O ALA A 57 -10.895 3.694 -4.949 1.00 73.14 O ATOM 900 CB ALA A 57 -9.188 1.114 -5.686 1.00 75.05 C ATOM 0 H ALA A 57 -7.283 2.361 -6.774 1.00 12.00 H new ATOM 0 HA ALA A 57 -10.154 2.442 -7.063 1.00 63.11 H new ATOM 0 HB1 ALA A 57 -10.100 0.870 -5.141 1.00 75.05 H new ATOM 0 HB2 ALA A 57 -9.012 0.361 -6.454 1.00 75.05 H new ATOM 0 HB3 ALA A 57 -8.345 1.130 -4.995 1.00 75.05 H new ATOM 906 N LEU A 58 -8.695 4.308 -4.755 1.00 21.01 N ATOM 907 CA LEU A 58 -8.947 5.452 -3.829 1.00 74.53 C ATOM 908 C LEU A 58 -9.771 6.516 -4.579 1.00 43.01 C ATOM 909 O LEU A 58 -10.690 7.127 -4.015 1.00 41.40 O ATOM 910 CB LEU A 58 -7.621 6.136 -3.286 1.00 3.32 C ATOM 911 CG LEU A 58 -6.479 5.268 -2.536 1.00 54.10 C ATOM 912 CD1 LEU A 58 -5.210 6.102 -2.100 1.00 21.32 C ATOM 913 CD2 LEU A 58 -6.976 4.429 -1.316 1.00 53.33 C ATOM 0 H LEU A 58 -7.708 4.139 -4.947 1.00 21.01 H new ATOM 0 HA LEU A 58 -9.477 5.051 -2.965 1.00 74.53 H new ATOM 0 HB2 LEU A 58 -7.144 6.625 -4.135 1.00 3.32 H new ATOM 0 HB3 LEU A 58 -7.927 6.923 -2.597 1.00 3.32 H new ATOM 0 HG LEU A 58 -6.187 4.571 -3.322 1.00 54.10 H new ATOM 0 HD11 LEU A 58 -4.495 5.445 -1.605 1.00 21.32 H new ATOM 0 HD12 LEU A 58 -4.746 6.546 -2.981 1.00 21.32 H new ATOM 0 HD13 LEU A 58 -5.512 6.892 -1.413 1.00 21.32 H new ATOM 0 HD21 LEU A 58 -6.137 3.884 -0.883 1.00 53.33 H new ATOM 0 HD22 LEU A 58 -7.402 5.095 -0.566 1.00 53.33 H new ATOM 0 HD23 LEU A 58 -7.736 3.721 -1.647 1.00 53.33 H new ATOM 925 N ASP A 59 -9.434 6.703 -5.867 1.00 40.43 N ATOM 926 CA ASP A 59 -10.158 7.624 -6.755 1.00 34.23 C ATOM 927 C ASP A 59 -11.592 7.102 -7.016 1.00 64.04 C ATOM 928 O ASP A 59 -12.543 7.886 -7.016 1.00 54.04 O ATOM 929 CB ASP A 59 -9.385 7.825 -8.083 1.00 53.33 C ATOM 930 CG ASP A 59 -9.969 8.946 -8.973 1.00 34.12 C ATOM 931 OD1 ASP A 59 -9.479 10.094 -8.907 1.00 71.43 O ATOM 932 OD2 ASP A 59 -10.923 8.690 -9.747 1.00 61.45 O ATOM 0 H ASP A 59 -8.656 6.222 -6.318 1.00 40.43 H new ATOM 0 HA ASP A 59 -10.234 8.594 -6.265 1.00 34.23 H new ATOM 0 HB2 ASP A 59 -8.344 8.057 -7.857 1.00 53.33 H new ATOM 0 HB3 ASP A 59 -9.389 6.889 -8.642 1.00 53.33 H new ATOM 937 N ASN A 60 -11.743 5.762 -7.192 1.00 44.15 N ATOM 938 CA ASN A 60 -13.072 5.119 -7.373 1.00 15.02 C ATOM 939 C ASN A 60 -13.877 5.088 -6.053 1.00 55.45 C ATOM 940 O ASN A 60 -15.092 4.828 -6.091 1.00 73.34 O ATOM 941 CB ASN A 60 -12.974 3.677 -7.983 1.00 73.31 C ATOM 942 CG ASN A 60 -12.509 3.662 -9.444 1.00 5.11 C ATOM 943 OD1 ASN A 60 -11.726 4.499 -9.881 1.00 71.35 O ATOM 944 ND2 ASN A 60 -12.991 2.692 -10.211 1.00 4.44 N ATOM 0 H ASN A 60 -10.961 5.107 -7.212 1.00 44.15 H new ATOM 0 HA ASN A 60 -13.606 5.741 -8.092 1.00 15.02 H new ATOM 0 HB2 ASN A 60 -12.283 3.084 -7.384 1.00 73.31 H new ATOM 0 HB3 ASN A 60 -13.949 3.195 -7.915 1.00 73.31 H new ATOM 0 HD21 ASN A 60 -12.712 2.629 -11.190 1.00 4.44 H new ATOM 0 HD22 ASN A 60 -13.641 2.009 -9.821 1.00 4.44 H new ATOM 951 N SER A 61 -13.192 5.346 -4.903 1.00 72.32 N ATOM 952 CA SER A 61 -13.840 5.601 -3.599 1.00 13.43 C ATOM 953 C SER A 61 -14.761 4.439 -3.144 1.00 54.45 C ATOM 954 O SER A 61 -15.860 4.685 -2.618 1.00 15.14 O ATOM 955 CB SER A 61 -14.637 6.925 -3.694 1.00 12.22 C ATOM 956 OG SER A 61 -13.835 7.987 -4.193 1.00 34.04 O ATOM 0 H SER A 61 -12.173 5.381 -4.862 1.00 72.32 H new ATOM 0 HA SER A 61 -13.060 5.679 -2.842 1.00 13.43 H new ATOM 0 HB2 SER A 61 -15.500 6.784 -4.345 1.00 12.22 H new ATOM 0 HB3 SER A 61 -15.020 7.190 -2.709 1.00 12.22 H new ATOM 0 HG SER A 61 -13.627 7.825 -5.137 1.00 34.04 H new ATOM 962 N GLU A 62 -14.294 3.188 -3.321 1.00 53.22 N ATOM 963 CA GLU A 62 -15.100 1.985 -3.028 1.00 34.35 C ATOM 964 C GLU A 62 -15.400 1.829 -1.503 1.00 0.54 C ATOM 965 O GLU A 62 -16.555 1.960 -1.090 1.00 51.21 O ATOM 966 CB GLU A 62 -14.446 0.705 -3.641 1.00 1.42 C ATOM 967 CG GLU A 62 -14.412 0.697 -5.180 1.00 24.55 C ATOM 968 CD GLU A 62 -13.817 -0.588 -5.767 1.00 75.24 C ATOM 969 OE1 GLU A 62 -14.567 -1.561 -6.007 1.00 44.41 O ATOM 970 OE2 GLU A 62 -12.590 -0.629 -5.986 1.00 75.45 O ATOM 0 H GLU A 62 -13.357 2.983 -3.668 1.00 53.22 H new ATOM 0 HA GLU A 62 -16.068 2.116 -3.512 1.00 34.35 H new ATOM 0 HB2 GLU A 62 -13.427 0.614 -3.265 1.00 1.42 H new ATOM 0 HB3 GLU A 62 -14.993 -0.172 -3.295 1.00 1.42 H new ATOM 0 HG2 GLU A 62 -15.426 0.826 -5.559 1.00 24.55 H new ATOM 0 HG3 GLU A 62 -13.830 1.551 -5.528 1.00 24.55 H new ATOM 977 N TYR A 63 -14.349 1.605 -0.689 1.00 61.21 N ATOM 978 CA TYR A 63 -14.422 1.440 0.777 1.00 41.34 C ATOM 979 C TYR A 63 -12.984 1.352 1.330 1.00 54.23 C ATOM 980 O TYR A 63 -12.053 0.878 0.648 1.00 33.11 O ATOM 981 CB TYR A 63 -15.220 0.172 1.249 1.00 14.41 C ATOM 982 CG TYR A 63 -16.742 0.319 1.349 1.00 74.54 C ATOM 983 CD1 TYR A 63 -17.607 -0.496 0.607 1.00 54.35 C ATOM 984 CD2 TYR A 63 -17.314 1.266 2.201 1.00 13.31 C ATOM 985 CE1 TYR A 63 -18.981 -0.365 0.711 1.00 42.33 C ATOM 986 CE2 TYR A 63 -18.687 1.399 2.303 1.00 63.33 C ATOM 987 CZ TYR A 63 -19.511 0.583 1.562 1.00 10.23 C ATOM 988 OH TYR A 63 -20.884 0.716 1.663 1.00 5.01 O ATOM 0 H TYR A 63 -13.396 1.532 -1.045 1.00 61.21 H new ATOM 0 HA TYR A 63 -14.965 2.304 1.160 1.00 41.34 H new ATOM 0 HB2 TYR A 63 -15.001 -0.644 0.561 1.00 14.41 H new ATOM 0 HB3 TYR A 63 -14.841 -0.125 2.227 1.00 14.41 H new ATOM 0 HD1 TYR A 63 -17.194 -1.240 -0.058 1.00 54.35 H new ATOM 0 HD2 TYR A 63 -16.673 1.905 2.790 1.00 13.31 H new ATOM 0 HE1 TYR A 63 -19.633 -1.000 0.130 1.00 42.33 H new ATOM 0 HE2 TYR A 63 -19.111 2.141 2.963 1.00 63.33 H new ATOM 0 HH TYR A 63 -21.098 1.426 2.304 1.00 5.01 H new ATOM 998 N LEU A 64 -12.834 1.691 2.612 1.00 10.21 N ATOM 999 CA LEU A 64 -11.486 1.736 3.266 1.00 42.20 C ATOM 1000 C LEU A 64 -11.076 0.308 3.689 1.00 60.10 C ATOM 1001 O LEU A 64 -9.928 -0.077 3.453 1.00 54.34 O ATOM 1002 CB LEU A 64 -11.345 2.777 4.455 1.00 23.54 C ATOM 1003 CG LEU A 64 -10.758 4.226 4.149 1.00 55.22 C ATOM 1004 CD1 LEU A 64 -9.224 4.207 3.881 1.00 31.23 C ATOM 1005 CD2 LEU A 64 -11.497 5.005 3.022 1.00 73.14 C ATOM 0 H LEU A 64 -13.608 1.939 3.228 1.00 10.21 H new ATOM 0 HA LEU A 64 -10.791 2.116 2.517 1.00 42.20 H new ATOM 0 HB2 LEU A 64 -12.333 2.909 4.895 1.00 23.54 H new ATOM 0 HB3 LEU A 64 -10.714 2.321 5.218 1.00 23.54 H new ATOM 0 HG LEU A 64 -10.944 4.778 5.071 1.00 55.22 H new ATOM 0 HD11 LEU A 64 -8.877 5.220 3.678 1.00 31.23 H new ATOM 0 HD12 LEU A 64 -8.707 3.815 4.757 1.00 31.23 H new ATOM 0 HD13 LEU A 64 -9.013 3.572 3.020 1.00 31.23 H new ATOM 0 HD21 LEU A 64 -11.027 5.979 2.885 1.00 73.14 H new ATOM 0 HD22 LEU A 64 -11.440 4.440 2.091 1.00 73.14 H new ATOM 0 HD23 LEU A 64 -12.542 5.142 3.299 1.00 73.14 H new ATOM 1017 N PRO A 65 -12.001 -0.537 4.286 1.00 52.23 N ATOM 1018 CA PRO A 65 -11.706 -1.971 4.487 1.00 74.21 C ATOM 1019 C PRO A 65 -11.509 -2.710 3.155 1.00 61.04 C ATOM 1020 O PRO A 65 -10.821 -3.720 3.127 1.00 44.30 O ATOM 1021 CB PRO A 65 -12.954 -2.508 5.248 1.00 4.20 C ATOM 1022 CG PRO A 65 -14.039 -1.536 4.918 1.00 22.13 C ATOM 1023 CD PRO A 65 -13.353 -0.200 4.827 1.00 54.52 C ATOM 0 HA PRO A 65 -10.776 -2.125 5.035 1.00 74.21 H new ATOM 0 HB2 PRO A 65 -13.213 -3.516 4.925 1.00 4.20 H new ATOM 0 HB3 PRO A 65 -12.775 -2.554 6.322 1.00 4.20 H new ATOM 0 HG2 PRO A 65 -14.527 -1.794 3.978 1.00 22.13 H new ATOM 0 HG3 PRO A 65 -14.811 -1.531 5.687 1.00 22.13 H new ATOM 0 HD2 PRO A 65 -13.890 0.483 4.168 1.00 54.52 H new ATOM 0 HD3 PRO A 65 -13.286 0.284 5.801 1.00 54.52 H new ATOM 1031 N LYS A 66 -12.082 -2.180 2.045 1.00 14.23 N ATOM 1032 CA LYS A 66 -12.084 -2.874 0.743 1.00 34.21 C ATOM 1033 C LYS A 66 -10.694 -2.768 0.106 1.00 71.00 C ATOM 1034 O LYS A 66 -10.154 -3.769 -0.400 1.00 34.12 O ATOM 1035 CB LYS A 66 -13.197 -2.285 -0.182 1.00 2.13 C ATOM 1036 CG LYS A 66 -13.293 -2.871 -1.605 1.00 72.33 C ATOM 1037 CD LYS A 66 -13.532 -4.396 -1.622 1.00 42.31 C ATOM 1038 CE LYS A 66 -13.720 -4.930 -3.044 1.00 64.23 C ATOM 1039 NZ LYS A 66 -12.589 -4.533 -3.941 1.00 21.21 N ATOM 0 H LYS A 66 -12.548 -1.273 2.031 1.00 14.23 H new ATOM 0 HA LYS A 66 -12.310 -3.931 0.887 1.00 34.21 H new ATOM 0 HB2 LYS A 66 -14.159 -2.426 0.310 1.00 2.13 H new ATOM 0 HB3 LYS A 66 -13.037 -1.210 -0.266 1.00 2.13 H new ATOM 0 HG2 LYS A 66 -14.104 -2.377 -2.140 1.00 72.33 H new ATOM 0 HG3 LYS A 66 -12.373 -2.648 -2.145 1.00 72.33 H new ATOM 0 HD2 LYS A 66 -12.687 -4.901 -1.154 1.00 42.31 H new ATOM 0 HD3 LYS A 66 -14.414 -4.632 -1.026 1.00 42.31 H new ATOM 0 HE2 LYS A 66 -13.798 -6.017 -3.017 1.00 64.23 H new ATOM 0 HE3 LYS A 66 -14.658 -4.553 -3.453 1.00 64.23 H new ATOM 0 HZ1 LYS A 66 -12.663 -5.048 -4.841 1.00 21.21 H new ATOM 0 HZ2 LYS A 66 -12.633 -3.510 -4.123 1.00 21.21 H new ATOM 0 HZ3 LYS A 66 -11.685 -4.765 -3.483 1.00 21.21 H new ATOM 1053 N ILE A 67 -10.104 -1.561 0.179 1.00 73.22 N ATOM 1054 CA ILE A 67 -8.785 -1.297 -0.415 1.00 11.31 C ATOM 1055 C ILE A 67 -7.655 -1.782 0.499 1.00 64.14 C ATOM 1056 O ILE A 67 -6.643 -2.290 0.000 1.00 11.13 O ATOM 1057 CB ILE A 67 -8.601 0.223 -0.751 1.00 72.42 C ATOM 1058 CG1 ILE A 67 -9.802 0.681 -1.629 1.00 32.51 C ATOM 1059 CG2 ILE A 67 -7.237 0.493 -1.455 1.00 3.52 C ATOM 1060 CD1 ILE A 67 -9.675 2.064 -2.197 1.00 31.05 C ATOM 0 H ILE A 67 -10.521 -0.755 0.644 1.00 73.22 H new ATOM 0 HA ILE A 67 -8.735 -1.859 -1.348 1.00 11.31 H new ATOM 0 HB ILE A 67 -8.585 0.802 0.173 1.00 72.42 H new ATOM 0 HG12 ILE A 67 -9.923 -0.024 -2.451 1.00 32.51 H new ATOM 0 HG13 ILE A 67 -10.711 0.631 -1.030 1.00 32.51 H new ATOM 0 HG21 ILE A 67 -7.144 1.557 -1.673 1.00 3.52 H new ATOM 0 HG22 ILE A 67 -6.422 0.184 -0.800 1.00 3.52 H new ATOM 0 HG23 ILE A 67 -7.189 -0.073 -2.385 1.00 3.52 H new ATOM 0 HD11 ILE A 67 -10.558 2.295 -2.793 1.00 31.05 H new ATOM 0 HD12 ILE A 67 -9.588 2.785 -1.384 1.00 31.05 H new ATOM 0 HD13 ILE A 67 -8.787 2.119 -2.827 1.00 31.05 H new ATOM 1072 N ILE A 68 -7.834 -1.650 1.832 1.00 11.41 N ATOM 1073 CA ILE A 68 -6.800 -2.094 2.790 1.00 74.40 C ATOM 1074 C ILE A 68 -6.746 -3.637 2.791 1.00 43.22 C ATOM 1075 O ILE A 68 -5.662 -4.201 2.872 1.00 4.53 O ATOM 1076 CB ILE A 68 -6.986 -1.500 4.247 1.00 74.22 C ATOM 1077 CG1 ILE A 68 -6.851 0.069 4.244 1.00 32.43 C ATOM 1078 CG2 ILE A 68 -5.960 -2.115 5.234 1.00 33.41 C ATOM 1079 CD1 ILE A 68 -7.083 0.729 5.597 1.00 45.42 C ATOM 0 H ILE A 68 -8.667 -1.248 2.262 1.00 11.41 H new ATOM 0 HA ILE A 68 -5.841 -1.697 2.457 1.00 74.40 H new ATOM 0 HB ILE A 68 -7.991 -1.761 4.578 1.00 74.22 H new ATOM 0 HG12 ILE A 68 -5.854 0.334 3.892 1.00 32.43 H new ATOM 0 HG13 ILE A 68 -7.562 0.480 3.527 1.00 32.43 H new ATOM 0 HG21 ILE A 68 -6.110 -1.690 6.226 1.00 33.41 H new ATOM 0 HG22 ILE A 68 -6.099 -3.195 5.277 1.00 33.41 H new ATOM 0 HG23 ILE A 68 -4.949 -1.893 4.893 1.00 33.41 H new ATOM 0 HD11 ILE A 68 -6.970 1.809 5.499 1.00 45.42 H new ATOM 0 HD12 ILE A 68 -8.090 0.500 5.946 1.00 45.42 H new ATOM 0 HD13 ILE A 68 -6.356 0.351 6.316 1.00 45.42 H new ATOM 1091 N LEU A 69 -7.916 -4.303 2.625 1.00 61.34 N ATOM 1092 CA LEU A 69 -7.979 -5.777 2.457 1.00 4.01 C ATOM 1093 C LEU A 69 -7.221 -6.210 1.193 1.00 4.41 C ATOM 1094 O LEU A 69 -6.354 -7.084 1.257 1.00 10.21 O ATOM 1095 CB LEU A 69 -9.453 -6.284 2.370 1.00 55.30 C ATOM 1096 CG LEU A 69 -9.652 -7.859 2.156 1.00 15.12 C ATOM 1097 CD1 LEU A 69 -8.877 -8.718 3.194 1.00 54.25 C ATOM 1098 CD2 LEU A 69 -11.148 -8.312 2.103 1.00 31.02 C ATOM 0 H LEU A 69 -8.827 -3.844 2.604 1.00 61.34 H new ATOM 0 HA LEU A 69 -7.510 -6.220 3.336 1.00 4.01 H new ATOM 0 HB2 LEU A 69 -9.968 -5.996 3.286 1.00 55.30 H new ATOM 0 HB3 LEU A 69 -9.946 -5.763 1.550 1.00 55.30 H new ATOM 0 HG LEU A 69 -9.223 -8.040 1.170 1.00 15.12 H new ATOM 0 HD11 LEU A 69 -9.053 -9.775 2.995 1.00 54.25 H new ATOM 0 HD12 LEU A 69 -7.810 -8.507 3.117 1.00 54.25 H new ATOM 0 HD13 LEU A 69 -9.224 -8.475 4.199 1.00 54.25 H new ATOM 0 HD21 LEU A 69 -11.196 -9.391 1.956 1.00 31.02 H new ATOM 0 HD22 LEU A 69 -11.641 -8.051 3.040 1.00 31.02 H new ATOM 0 HD23 LEU A 69 -11.651 -7.810 1.276 1.00 31.02 H new ATOM 1110 N ASN A 70 -7.549 -5.562 0.053 1.00 73.14 N ATOM 1111 CA ASN A 70 -7.015 -5.950 -1.268 1.00 51.50 C ATOM 1112 C ASN A 70 -5.490 -5.702 -1.351 1.00 41.45 C ATOM 1113 O ASN A 70 -4.757 -6.521 -1.916 1.00 75.41 O ATOM 1114 CB ASN A 70 -7.781 -5.215 -2.404 1.00 15.32 C ATOM 1115 CG ASN A 70 -7.319 -5.631 -3.814 1.00 63.33 C ATOM 1116 OD1 ASN A 70 -6.347 -4.926 -4.361 1.00 53.24 O flip ATOM 1117 ND2 ASN A 70 -7.835 -6.583 -4.402 1.00 12.15 N flip ATOM 0 H ASN A 70 -8.184 -4.764 0.024 1.00 73.14 H new ATOM 0 HA ASN A 70 -7.172 -7.021 -1.400 1.00 51.50 H new ATOM 0 HB2 ASN A 70 -8.848 -5.416 -2.304 1.00 15.32 H new ATOM 0 HB3 ASN A 70 -7.647 -4.140 -2.287 1.00 15.32 H new ATOM 0 HD21 ASN A 70 -8.585 -7.112 -3.957 1.00 12.15 H new ATOM 0 HD22 ASN A 70 -7.512 -6.842 -5.334 1.00 12.15 H new ATOM 1124 N LEU A 71 -5.016 -4.604 -0.737 1.00 22.21 N ATOM 1125 CA LEU A 71 -3.584 -4.221 -0.756 1.00 23.30 C ATOM 1126 C LEU A 71 -2.825 -5.200 0.165 1.00 74.44 C ATOM 1127 O LEU A 71 -1.772 -5.742 -0.190 1.00 32.22 O ATOM 1128 CB LEU A 71 -3.407 -2.736 -0.267 1.00 42.13 C ATOM 1129 CG LEU A 71 -2.215 -1.890 -0.846 1.00 41.14 C ATOM 1130 CD1 LEU A 71 -2.221 -0.465 -0.238 1.00 61.32 C ATOM 1131 CD2 LEU A 71 -0.845 -2.561 -0.639 1.00 71.00 C ATOM 0 H LEU A 71 -5.607 -3.957 -0.215 1.00 22.21 H new ATOM 0 HA LEU A 71 -3.186 -4.277 -1.769 1.00 23.30 H new ATOM 0 HB2 LEU A 71 -4.331 -2.202 -0.490 1.00 42.13 H new ATOM 0 HB3 LEU A 71 -3.303 -2.755 0.818 1.00 42.13 H new ATOM 0 HG LEU A 71 -2.369 -1.825 -1.923 1.00 41.14 H new ATOM 0 HD11 LEU A 71 -1.390 0.109 -0.648 1.00 61.32 H new ATOM 0 HD12 LEU A 71 -3.160 0.031 -0.482 1.00 61.32 H new ATOM 0 HD13 LEU A 71 -2.117 -0.531 0.845 1.00 61.32 H new ATOM 0 HD21 LEU A 71 -0.063 -1.929 -1.060 1.00 71.00 H new ATOM 0 HD22 LEU A 71 -0.665 -2.700 0.427 1.00 71.00 H new ATOM 0 HD23 LEU A 71 -0.836 -3.530 -1.138 1.00 71.00 H new ATOM 1143 N ARG A 72 -3.434 -5.454 1.339 1.00 51.34 N ATOM 1144 CA ARG A 72 -2.876 -6.357 2.364 1.00 50.43 C ATOM 1145 C ARG A 72 -2.862 -7.804 1.835 1.00 51.31 C ATOM 1146 O ARG A 72 -1.968 -8.560 2.170 1.00 31.50 O ATOM 1147 CB ARG A 72 -3.656 -6.220 3.716 1.00 54.43 C ATOM 1148 CG ARG A 72 -3.201 -7.126 4.881 1.00 23.34 C ATOM 1149 CD ARG A 72 -4.097 -6.933 6.130 1.00 42.25 C ATOM 1150 NE ARG A 72 -5.521 -7.280 5.878 1.00 11.33 N ATOM 1151 CZ ARG A 72 -6.566 -6.435 5.990 1.00 13.32 C ATOM 1152 NH1 ARG A 72 -6.388 -5.165 6.337 1.00 1.14 N ATOM 1153 NH2 ARG A 72 -7.789 -6.880 5.755 1.00 1.25 N ATOM 0 H ARG A 72 -4.327 -5.039 1.604 1.00 51.34 H new ATOM 0 HA ARG A 72 -1.845 -6.072 2.572 1.00 50.43 H new ATOM 0 HB2 ARG A 72 -3.585 -5.183 4.045 1.00 54.43 H new ATOM 0 HB3 ARG A 72 -4.709 -6.421 3.522 1.00 54.43 H new ATOM 0 HG2 ARG A 72 -3.232 -8.169 4.566 1.00 23.34 H new ATOM 0 HG3 ARG A 72 -2.165 -6.901 5.136 1.00 23.34 H new ATOM 0 HD2 ARG A 72 -3.716 -7.550 6.943 1.00 42.25 H new ATOM 0 HD3 ARG A 72 -4.034 -5.896 6.460 1.00 42.25 H new ATOM 0 HE ARG A 72 -5.725 -8.239 5.596 1.00 11.33 H new ATOM 0 HH11 ARG A 72 -5.449 -4.814 6.524 1.00 1.14 H new ATOM 0 HH12 ARG A 72 -7.191 -4.541 6.417 1.00 1.14 H new ATOM 0 HH21 ARG A 72 -7.935 -7.855 5.492 1.00 1.25 H new ATOM 0 HH22 ARG A 72 -8.586 -6.249 5.837 1.00 1.25 H new ATOM 1167 N LYS A 73 -3.805 -8.162 0.926 1.00 64.41 N ATOM 1168 CA LYS A 73 -3.901 -9.524 0.368 1.00 14.43 C ATOM 1169 C LYS A 73 -2.951 -9.654 -0.823 1.00 35.44 C ATOM 1170 O LYS A 73 -2.531 -10.753 -1.175 1.00 61.24 O ATOM 1171 CB LYS A 73 -5.368 -9.853 -0.055 1.00 44.21 C ATOM 1172 CG LYS A 73 -5.634 -11.350 -0.359 1.00 51.43 C ATOM 1173 CD LYS A 73 -7.058 -11.597 -0.906 1.00 53.01 C ATOM 1174 CE LYS A 73 -7.373 -13.092 -1.073 1.00 0.24 C ATOM 1175 NZ LYS A 73 -6.439 -13.777 -2.017 1.00 13.43 N ATOM 0 H LYS A 73 -4.510 -7.518 0.566 1.00 64.41 H new ATOM 0 HA LYS A 73 -3.612 -10.242 1.136 1.00 14.43 H new ATOM 0 HB2 LYS A 73 -6.042 -9.532 0.740 1.00 44.21 H new ATOM 0 HB3 LYS A 73 -5.617 -9.267 -0.940 1.00 44.21 H new ATOM 0 HG2 LYS A 73 -4.902 -11.706 -1.084 1.00 51.43 H new ATOM 0 HG3 LYS A 73 -5.491 -11.933 0.551 1.00 51.43 H new ATOM 0 HD2 LYS A 73 -7.786 -11.149 -0.230 1.00 53.01 H new ATOM 0 HD3 LYS A 73 -7.166 -11.096 -1.868 1.00 53.01 H new ATOM 0 HE2 LYS A 73 -7.322 -13.581 -0.100 1.00 0.24 H new ATOM 0 HE3 LYS A 73 -8.395 -13.205 -1.434 1.00 0.24 H new ATOM 0 HZ1 LYS A 73 -6.717 -14.774 -2.119 1.00 13.43 H new ATOM 0 HZ2 LYS A 73 -6.479 -13.310 -2.945 1.00 13.43 H new ATOM 0 HZ3 LYS A 73 -5.469 -13.725 -1.645 1.00 13.43 H new ATOM 1189 N ALA A 74 -2.644 -8.510 -1.459 1.00 52.14 N ATOM 1190 CA ALA A 74 -1.674 -8.439 -2.555 1.00 75.45 C ATOM 1191 C ALA A 74 -0.224 -8.487 -2.030 1.00 62.34 C ATOM 1192 O ALA A 74 0.674 -8.927 -2.749 1.00 30.20 O ATOM 1193 CB ALA A 74 -1.916 -7.173 -3.390 1.00 21.44 C ATOM 0 H ALA A 74 -3.064 -7.611 -1.224 1.00 52.14 H new ATOM 0 HA ALA A 74 -1.815 -9.312 -3.193 1.00 75.45 H new ATOM 0 HB1 ALA A 74 -1.190 -7.129 -4.202 1.00 21.44 H new ATOM 0 HB2 ALA A 74 -2.924 -7.198 -3.805 1.00 21.44 H new ATOM 0 HB3 ALA A 74 -1.806 -6.293 -2.757 1.00 21.44 H new ATOM 1199 N LEU A 75 0.010 -8.019 -0.779 1.00 14.33 N ATOM 1200 CA LEU A 75 1.373 -8.031 -0.186 1.00 51.33 C ATOM 1201 C LEU A 75 1.611 -9.216 0.772 1.00 0.34 C ATOM 1202 O LEU A 75 2.740 -9.667 0.858 1.00 31.12 O ATOM 1203 CB LEU A 75 1.716 -6.685 0.532 1.00 3.22 C ATOM 1204 CG LEU A 75 1.611 -5.331 -0.277 1.00 52.23 C ATOM 1205 CD1 LEU A 75 2.216 -4.157 0.542 1.00 53.25 C ATOM 1206 CD2 LEU A 75 2.243 -5.409 -1.695 1.00 70.12 C ATOM 0 H LEU A 75 -0.712 -7.635 -0.170 1.00 14.33 H new ATOM 0 HA LEU A 75 2.048 -8.156 -1.033 1.00 51.33 H new ATOM 0 HB2 LEU A 75 1.062 -6.600 1.400 1.00 3.22 H new ATOM 0 HB3 LEU A 75 2.736 -6.764 0.908 1.00 3.22 H new ATOM 0 HG LEU A 75 0.548 -5.145 -0.433 1.00 52.23 H new ATOM 0 HD11 LEU A 75 2.135 -3.234 -0.031 1.00 53.25 H new ATOM 0 HD12 LEU A 75 1.673 -4.050 1.481 1.00 53.25 H new ATOM 0 HD13 LEU A 75 3.266 -4.363 0.752 1.00 53.25 H new ATOM 0 HD21 LEU A 75 2.136 -4.446 -2.195 1.00 70.12 H new ATOM 0 HD22 LEU A 75 3.301 -5.657 -1.609 1.00 70.12 H new ATOM 0 HD23 LEU A 75 1.736 -6.178 -2.277 1.00 70.12 H new ATOM 1218 N THR A 76 0.562 -9.744 1.444 1.00 63.42 N ATOM 1219 CA THR A 76 0.728 -10.817 2.472 1.00 75.10 C ATOM 1220 C THR A 76 1.447 -12.105 1.929 1.00 53.22 C ATOM 1221 O THR A 76 2.353 -12.594 2.615 1.00 72.21 O ATOM 1222 CB THR A 76 -0.627 -11.175 3.206 1.00 34.05 C ATOM 1223 OG1 THR A 76 -0.982 -10.110 4.107 1.00 12.43 O ATOM 1224 CG2 THR A 76 -0.562 -12.493 4.007 1.00 62.34 C ATOM 0 H THR A 76 -0.405 -9.452 1.300 1.00 63.42 H new ATOM 0 HA THR A 76 1.397 -10.387 3.218 1.00 75.10 H new ATOM 0 HB THR A 76 -1.376 -11.304 2.424 1.00 34.05 H new ATOM 0 HG1 THR A 76 -1.207 -9.307 3.592 1.00 12.43 H new ATOM 0 HG21 THR A 76 -1.525 -12.677 4.484 1.00 62.34 H new ATOM 0 HG22 THR A 76 -0.328 -13.317 3.333 1.00 62.34 H new ATOM 0 HG23 THR A 76 0.213 -12.417 4.770 1.00 62.34 H new ATOM 1232 N PRO A 77 1.122 -12.657 0.706 1.00 2.10 N ATOM 1233 CA PRO A 77 1.895 -13.797 0.152 1.00 31.33 C ATOM 1234 C PRO A 77 3.379 -13.439 -0.109 1.00 53.11 C ATOM 1235 O PRO A 77 4.288 -14.213 0.224 1.00 32.22 O ATOM 1236 CB PRO A 77 1.160 -14.166 -1.167 1.00 62.14 C ATOM 1237 CG PRO A 77 -0.184 -13.513 -1.060 1.00 54.00 C ATOM 1238 CD PRO A 77 0.006 -12.284 -0.200 1.00 32.15 C ATOM 0 HA PRO A 77 1.934 -14.629 0.855 1.00 31.33 H new ATOM 0 HB2 PRO A 77 1.706 -13.803 -2.038 1.00 62.14 H new ATOM 0 HB3 PRO A 77 1.066 -15.246 -1.277 1.00 62.14 H new ATOM 0 HG2 PRO A 77 -0.564 -13.243 -2.045 1.00 54.00 H new ATOM 0 HG3 PRO A 77 -0.911 -14.191 -0.613 1.00 54.00 H new ATOM 0 HD2 PRO A 77 0.254 -11.409 -0.801 1.00 32.15 H new ATOM 0 HD3 PRO A 77 -0.899 -12.042 0.358 1.00 32.15 H new ATOM 1246 N LEU A 78 3.614 -12.233 -0.671 1.00 51.02 N ATOM 1247 CA LEU A 78 4.985 -11.723 -0.960 1.00 22.32 C ATOM 1248 C LEU A 78 5.720 -11.328 0.346 1.00 42.43 C ATOM 1249 O LEU A 78 6.950 -11.267 0.371 1.00 54.23 O ATOM 1250 CB LEU A 78 4.949 -10.491 -1.938 1.00 51.22 C ATOM 1251 CG LEU A 78 4.018 -10.607 -3.212 1.00 1.10 C ATOM 1252 CD1 LEU A 78 3.986 -9.299 -4.047 1.00 71.54 C ATOM 1253 CD2 LEU A 78 4.393 -11.804 -4.134 1.00 23.22 C ATOM 0 H LEU A 78 2.871 -11.587 -0.937 1.00 51.02 H new ATOM 0 HA LEU A 78 5.530 -12.534 -1.443 1.00 22.32 H new ATOM 0 HB2 LEU A 78 4.635 -9.616 -1.368 1.00 51.22 H new ATOM 0 HB3 LEU A 78 5.967 -10.301 -2.279 1.00 51.22 H new ATOM 0 HG LEU A 78 3.021 -10.788 -2.811 1.00 1.10 H new ATOM 0 HD11 LEU A 78 3.333 -9.434 -4.909 1.00 71.54 H new ATOM 0 HD12 LEU A 78 3.610 -8.483 -3.430 1.00 71.54 H new ATOM 0 HD13 LEU A 78 4.993 -9.061 -4.389 1.00 71.54 H new ATOM 0 HD21 LEU A 78 3.718 -11.829 -4.990 1.00 23.22 H new ATOM 0 HD22 LEU A 78 5.419 -11.686 -4.484 1.00 23.22 H new ATOM 0 HD23 LEU A 78 4.305 -12.735 -3.575 1.00 23.22 H new ATOM 1265 N ALA A 79 4.946 -11.066 1.414 1.00 54.03 N ATOM 1266 CA ALA A 79 5.491 -10.669 2.723 1.00 34.23 C ATOM 1267 C ALA A 79 6.043 -11.909 3.433 1.00 51.33 C ATOM 1268 O ALA A 79 7.231 -11.961 3.756 1.00 55.34 O ATOM 1269 CB ALA A 79 4.416 -9.962 3.571 1.00 2.45 C ATOM 0 H ALA A 79 3.928 -11.123 1.394 1.00 54.03 H new ATOM 0 HA ALA A 79 6.303 -9.957 2.580 1.00 34.23 H new ATOM 0 HB1 ALA A 79 4.841 -9.678 4.534 1.00 2.45 H new ATOM 0 HB2 ALA A 79 4.070 -9.070 3.049 1.00 2.45 H new ATOM 0 HB3 ALA A 79 3.576 -10.638 3.731 1.00 2.45 H new ATOM 1275 N ILE A 80 5.164 -12.927 3.597 1.00 20.21 N ATOM 1276 CA ILE A 80 5.511 -14.219 4.238 1.00 73.23 C ATOM 1277 C ILE A 80 6.672 -14.877 3.487 1.00 32.21 C ATOM 1278 O ILE A 80 7.673 -15.274 4.094 1.00 24.21 O ATOM 1279 CB ILE A 80 4.283 -15.222 4.278 1.00 13.22 C ATOM 1280 CG1 ILE A 80 3.086 -14.619 5.084 1.00 55.14 C ATOM 1281 CG2 ILE A 80 4.704 -16.606 4.854 1.00 45.14 C ATOM 1282 CD1 ILE A 80 1.885 -15.534 5.209 1.00 14.44 C ATOM 0 H ILE A 80 4.193 -12.875 3.288 1.00 20.21 H new ATOM 0 HA ILE A 80 5.798 -14.000 5.267 1.00 73.23 H new ATOM 0 HB ILE A 80 3.950 -15.376 3.252 1.00 13.22 H new ATOM 0 HG12 ILE A 80 3.433 -14.358 6.084 1.00 55.14 H new ATOM 0 HG13 ILE A 80 2.772 -13.692 4.604 1.00 55.14 H new ATOM 0 HG21 ILE A 80 3.841 -17.272 4.869 1.00 45.14 H new ATOM 0 HG22 ILE A 80 5.485 -17.038 4.228 1.00 45.14 H new ATOM 0 HG23 ILE A 80 5.081 -16.478 5.869 1.00 45.14 H new ATOM 0 HD11 ILE A 80 1.105 -15.034 5.783 1.00 14.44 H new ATOM 0 HD12 ILE A 80 1.507 -15.776 4.216 1.00 14.44 H new ATOM 0 HD13 ILE A 80 2.178 -16.452 5.719 1.00 14.44 H new ATOM 1294 N ASN A 81 6.541 -14.936 2.156 1.00 0.32 N ATOM 1295 CA ASN A 81 7.548 -15.547 1.271 1.00 12.24 C ATOM 1296 C ASN A 81 8.740 -14.599 1.018 1.00 12.22 C ATOM 1297 O ASN A 81 9.655 -14.952 0.267 1.00 63.34 O ATOM 1298 CB ASN A 81 6.878 -16.027 -0.051 1.00 4.53 C ATOM 1299 CG ASN A 81 5.864 -17.160 0.166 1.00 23.42 C ATOM 1300 OD1 ASN A 81 5.389 -17.401 1.277 1.00 54.02 O ATOM 1301 ND2 ASN A 81 5.478 -17.818 -0.909 1.00 35.45 N ATOM 0 H ASN A 81 5.733 -14.561 1.659 1.00 0.32 H new ATOM 0 HA ASN A 81 7.963 -16.422 1.771 1.00 12.24 H new ATOM 0 HB2 ASN A 81 6.376 -15.183 -0.524 1.00 4.53 H new ATOM 0 HB3 ASN A 81 7.651 -16.366 -0.741 1.00 4.53 H new ATOM 0 HD21 ASN A 81 4.769 -18.547 -0.833 1.00 35.45 H new ATOM 0 HD22 ASN A 81 5.888 -17.598 -1.817 1.00 35.45 H new ATOM 1308 N ARG A 82 8.712 -13.392 1.642 1.00 61.13 N ATOM 1309 CA ARG A 82 9.901 -12.509 1.818 1.00 20.40 C ATOM 1310 C ARG A 82 10.475 -11.974 0.476 1.00 43.14 C ATOM 1311 O ARG A 82 11.671 -11.652 0.383 1.00 75.44 O ATOM 1312 CB ARG A 82 11.014 -13.233 2.645 1.00 52.14 C ATOM 1313 CG ARG A 82 10.610 -13.647 4.081 1.00 10.31 C ATOM 1314 CD ARG A 82 11.785 -14.235 4.883 1.00 25.13 C ATOM 1315 NE ARG A 82 12.880 -13.261 5.025 1.00 5.33 N ATOM 1316 CZ ARG A 82 13.731 -13.174 6.064 1.00 64.14 C ATOM 1317 NH1 ARG A 82 13.643 -14.002 7.097 1.00 41.12 N ATOM 1318 NH2 ARG A 82 14.652 -12.225 6.055 1.00 31.54 N ATOM 0 H ARG A 82 7.859 -13.000 2.041 1.00 61.13 H new ATOM 0 HA ARG A 82 9.553 -11.638 2.373 1.00 20.40 H new ATOM 0 HB2 ARG A 82 11.324 -14.125 2.101 1.00 52.14 H new ATOM 0 HB3 ARG A 82 11.883 -12.578 2.705 1.00 52.14 H new ATOM 0 HG2 ARG A 82 10.215 -12.778 4.608 1.00 10.31 H new ATOM 0 HG3 ARG A 82 9.806 -14.382 4.030 1.00 10.31 H new ATOM 0 HD2 ARG A 82 11.437 -14.540 5.870 1.00 25.13 H new ATOM 0 HD3 ARG A 82 12.155 -15.131 4.385 1.00 25.13 H new ATOM 0 HE ARG A 82 13.005 -12.591 4.266 1.00 5.33 H new ATOM 0 HH11 ARG A 82 12.920 -14.722 7.114 1.00 41.12 H new ATOM 0 HH12 ARG A 82 14.298 -13.919 7.874 1.00 41.12 H new ATOM 0 HH21 ARG A 82 14.708 -11.576 5.270 1.00 31.54 H new ATOM 0 HH22 ARG A 82 15.306 -12.142 6.833 1.00 31.54 H new ATOM 1332 N THR A 83 9.600 -11.836 -0.536 1.00 24.10 N ATOM 1333 CA THR A 83 9.976 -11.348 -1.870 1.00 74.23 C ATOM 1334 C THR A 83 9.765 -9.832 -1.966 1.00 64.40 C ATOM 1335 O THR A 83 10.338 -9.174 -2.841 1.00 11.42 O ATOM 1336 CB THR A 83 9.166 -12.076 -2.988 1.00 12.53 C ATOM 1337 OG1 THR A 83 7.760 -11.922 -2.752 1.00 44.32 O ATOM 1338 CG2 THR A 83 9.509 -13.570 -3.052 1.00 73.11 C ATOM 0 H THR A 83 8.609 -12.061 -0.449 1.00 24.10 H new ATOM 0 HA THR A 83 11.033 -11.568 -2.019 1.00 74.23 H new ATOM 0 HB THR A 83 9.436 -11.622 -3.941 1.00 12.53 H new ATOM 0 HG1 THR A 83 7.258 -12.380 -3.458 1.00 44.32 H new ATOM 0 HG21 THR A 83 8.926 -14.044 -3.842 1.00 73.11 H new ATOM 0 HG22 THR A 83 10.571 -13.691 -3.263 1.00 73.11 H new ATOM 0 HG23 THR A 83 9.274 -14.039 -2.096 1.00 73.11 H new ATOM 1346 N LEU A 84 8.922 -9.286 -1.075 1.00 54.41 N ATOM 1347 CA LEU A 84 8.727 -7.833 -0.971 1.00 34.34 C ATOM 1348 C LEU A 84 9.988 -7.218 -0.327 1.00 40.21 C ATOM 1349 O LEU A 84 10.479 -7.744 0.677 1.00 52.11 O ATOM 1350 CB LEU A 84 7.444 -7.506 -0.148 1.00 22.20 C ATOM 1351 CG LEU A 84 6.885 -6.032 -0.255 1.00 54.22 C ATOM 1352 CD1 LEU A 84 5.966 -5.843 -1.485 1.00 11.23 C ATOM 1353 CD2 LEU A 84 6.159 -5.600 1.040 1.00 45.14 C ATOM 0 H LEU A 84 8.365 -9.830 -0.416 1.00 54.41 H new ATOM 0 HA LEU A 84 8.584 -7.402 -1.962 1.00 34.34 H new ATOM 0 HB2 LEU A 84 6.656 -8.192 -0.460 1.00 22.20 H new ATOM 0 HB3 LEU A 84 7.651 -7.715 0.901 1.00 22.20 H new ATOM 0 HG LEU A 84 7.751 -5.384 -0.389 1.00 54.22 H new ATOM 0 HD11 LEU A 84 5.606 -4.814 -1.516 1.00 11.23 H new ATOM 0 HD12 LEU A 84 6.526 -6.059 -2.395 1.00 11.23 H new ATOM 0 HD13 LEU A 84 5.117 -6.522 -1.412 1.00 11.23 H new ATOM 0 HD21 LEU A 84 5.789 -4.581 0.927 1.00 45.14 H new ATOM 0 HD22 LEU A 84 5.321 -6.271 1.229 1.00 45.14 H new ATOM 0 HD23 LEU A 84 6.854 -5.643 1.878 1.00 45.14 H new ATOM 1365 N ASN A 85 10.498 -6.109 -0.907 1.00 72.30 N ATOM 1366 CA ASN A 85 11.846 -5.553 -0.569 1.00 24.21 C ATOM 1367 C ASN A 85 11.998 -5.173 0.915 1.00 14.13 C ATOM 1368 O ASN A 85 13.121 -4.977 1.392 1.00 54.34 O ATOM 1369 CB ASN A 85 12.231 -4.335 -1.462 1.00 1.40 C ATOM 1370 CG ASN A 85 12.340 -4.659 -2.959 1.00 73.54 C ATOM 1371 OD1 ASN A 85 11.699 -5.576 -3.477 1.00 75.44 O ATOM 1372 ND2 ASN A 85 13.150 -3.891 -3.665 1.00 45.43 N ATOM 0 H ASN A 85 10.000 -5.572 -1.617 1.00 72.30 H new ATOM 0 HA ASN A 85 12.537 -6.371 -0.775 1.00 24.21 H new ATOM 0 HB2 ASN A 85 11.488 -3.550 -1.325 1.00 1.40 H new ATOM 0 HB3 ASN A 85 13.185 -3.934 -1.118 1.00 1.40 H new ATOM 0 HD21 ASN A 85 13.258 -4.049 -4.667 1.00 45.43 H new ATOM 0 HD22 ASN A 85 13.667 -3.140 -3.208 1.00 45.43 H new ATOM 1379 N HIS A 86 10.858 -5.003 1.613 1.00 2.30 N ATOM 1380 CA HIS A 86 10.779 -4.896 3.086 1.00 11.12 C ATOM 1381 C HIS A 86 11.327 -3.545 3.628 1.00 32.01 C ATOM 1382 O HIS A 86 11.235 -3.266 4.827 1.00 72.24 O ATOM 1383 CB HIS A 86 11.477 -6.139 3.736 1.00 41.44 C ATOM 1384 CG HIS A 86 11.228 -6.342 5.212 1.00 13.40 C ATOM 1385 ND1 HIS A 86 10.223 -7.148 5.706 1.00 43.53 N ATOM 1386 CD2 HIS A 86 11.892 -5.884 6.304 1.00 45.34 C ATOM 1387 CE1 HIS A 86 10.283 -7.169 7.019 1.00 42.44 C ATOM 1388 NE2 HIS A 86 11.283 -6.414 7.409 1.00 5.21 N ATOM 0 H HIS A 86 9.946 -4.935 1.160 1.00 2.30 H new ATOM 0 HA HIS A 86 9.728 -4.900 3.373 1.00 11.12 H new ATOM 0 HB2 HIS A 86 11.149 -7.033 3.206 1.00 41.44 H new ATOM 0 HB3 HIS A 86 12.552 -6.051 3.578 1.00 41.44 H new ATOM 0 HD2 HIS A 86 12.745 -5.222 6.301 1.00 45.34 H new ATOM 0 HE1 HIS A 86 9.618 -7.718 7.670 1.00 42.44 H new ATOM 0 HE2 HIS A 86 11.561 -6.249 8.377 1.00 5.21 H new ATOM 1397 N ASP A 87 11.846 -2.678 2.735 1.00 24.31 N ATOM 1398 CA ASP A 87 12.367 -1.343 3.122 1.00 3.53 C ATOM 1399 C ASP A 87 11.196 -0.362 3.430 1.00 52.21 C ATOM 1400 O ASP A 87 11.415 0.720 3.985 1.00 3.41 O ATOM 1401 CB ASP A 87 13.379 -0.802 2.042 1.00 24.01 C ATOM 1402 CG ASP A 87 13.993 0.574 2.385 1.00 1.44 C ATOM 1403 OD1 ASP A 87 14.832 0.656 3.306 1.00 22.43 O ATOM 1404 OD2 ASP A 87 13.660 1.576 1.723 1.00 40.12 O ATOM 0 H ASP A 87 11.917 -2.876 1.737 1.00 24.31 H new ATOM 0 HA ASP A 87 12.936 -1.434 4.047 1.00 3.53 H new ATOM 0 HB2 ASP A 87 14.184 -1.526 1.919 1.00 24.01 H new ATOM 0 HB3 ASP A 87 12.866 -0.730 1.083 1.00 24.01 H new ATOM 1409 N LEU A 88 9.939 -0.775 3.119 1.00 73.10 N ATOM 1410 CA LEU A 88 8.710 -0.076 3.554 1.00 70.24 C ATOM 1411 C LEU A 88 7.779 -1.068 4.282 1.00 65.53 C ATOM 1412 O LEU A 88 6.550 -1.005 4.152 1.00 51.12 O ATOM 1413 CB LEU A 88 7.959 0.661 2.393 1.00 74.22 C ATOM 1414 CG LEU A 88 7.801 -0.097 1.028 1.00 52.14 C ATOM 1415 CD1 LEU A 88 6.483 0.295 0.329 1.00 15.34 C ATOM 1416 CD2 LEU A 88 9.009 0.182 0.098 1.00 50.42 C ATOM 0 H LEU A 88 9.754 -1.606 2.557 1.00 73.10 H new ATOM 0 HA LEU A 88 9.018 0.712 4.242 1.00 70.24 H new ATOM 0 HB2 LEU A 88 6.962 0.920 2.750 1.00 74.22 H new ATOM 0 HB3 LEU A 88 8.481 1.598 2.198 1.00 74.22 H new ATOM 0 HG LEU A 88 7.771 -1.165 1.242 1.00 52.14 H new ATOM 0 HD11 LEU A 88 6.397 -0.244 -0.615 1.00 15.34 H new ATOM 0 HD12 LEU A 88 5.640 0.039 0.971 1.00 15.34 H new ATOM 0 HD13 LEU A 88 6.479 1.368 0.136 1.00 15.34 H new ATOM 0 HD21 LEU A 88 8.876 -0.354 -0.842 1.00 50.42 H new ATOM 0 HD22 LEU A 88 9.076 1.252 -0.101 1.00 50.42 H new ATOM 0 HD23 LEU A 88 9.926 -0.155 0.582 1.00 50.42 H new ATOM 1428 N SER A 89 8.377 -1.962 5.089 1.00 43.23 N ATOM 1429 CA SER A 89 7.620 -2.890 5.954 1.00 51.33 C ATOM 1430 C SER A 89 6.813 -2.132 7.033 1.00 51.44 C ATOM 1431 O SER A 89 5.794 -2.631 7.517 1.00 3.24 O ATOM 1432 CB SER A 89 8.573 -3.910 6.599 1.00 14.11 C ATOM 1433 OG SER A 89 9.653 -3.271 7.261 1.00 53.22 O ATOM 0 H SER A 89 9.389 -2.063 5.162 1.00 43.23 H new ATOM 0 HA SER A 89 6.904 -3.424 5.330 1.00 51.33 H new ATOM 0 HB2 SER A 89 8.022 -4.524 7.311 1.00 14.11 H new ATOM 0 HB3 SER A 89 8.961 -4.581 5.833 1.00 14.11 H new ATOM 0 HG SER A 89 10.395 -3.148 6.633 1.00 53.22 H new ATOM 1439 N GLU A 90 7.280 -0.904 7.367 1.00 61.53 N ATOM 1440 CA GLU A 90 6.573 0.021 8.275 1.00 63.14 C ATOM 1441 C GLU A 90 5.296 0.606 7.635 1.00 72.54 C ATOM 1442 O GLU A 90 4.438 1.105 8.360 1.00 64.11 O ATOM 1443 CB GLU A 90 7.519 1.150 8.784 1.00 11.12 C ATOM 1444 CG GLU A 90 8.531 0.699 9.860 1.00 34.20 C ATOM 1445 CD GLU A 90 7.860 0.124 11.131 1.00 44.32 C ATOM 1446 OE1 GLU A 90 7.453 0.911 12.011 1.00 22.03 O ATOM 1447 OE2 GLU A 90 7.736 -1.115 11.255 1.00 72.31 O ATOM 0 H GLU A 90 8.160 -0.530 7.011 1.00 61.53 H new ATOM 0 HA GLU A 90 6.256 -0.564 9.138 1.00 63.14 H new ATOM 0 HB2 GLU A 90 8.068 1.558 7.935 1.00 11.12 H new ATOM 0 HB3 GLU A 90 6.913 1.960 9.190 1.00 11.12 H new ATOM 0 HG2 GLU A 90 9.192 -0.056 9.433 1.00 34.20 H new ATOM 0 HG3 GLU A 90 9.155 1.548 10.140 1.00 34.20 H new ATOM 1454 N LEU A 91 5.182 0.554 6.291 1.00 20.43 N ATOM 1455 CA LEU A 91 3.947 0.951 5.586 1.00 11.25 C ATOM 1456 C LEU A 91 2.899 -0.175 5.743 1.00 32.53 C ATOM 1457 O LEU A 91 1.722 0.099 6.011 1.00 31.50 O ATOM 1458 CB LEU A 91 4.239 1.293 4.082 1.00 73.02 C ATOM 1459 CG LEU A 91 3.282 2.339 3.396 1.00 44.31 C ATOM 1460 CD1 LEU A 91 3.805 2.768 2.018 1.00 20.21 C ATOM 1461 CD2 LEU A 91 1.830 1.848 3.278 1.00 55.21 C ATOM 0 H LEU A 91 5.931 0.241 5.673 1.00 20.43 H new ATOM 0 HA LEU A 91 3.544 1.862 6.029 1.00 11.25 H new ATOM 0 HB2 LEU A 91 5.260 1.668 4.010 1.00 73.02 H new ATOM 0 HB3 LEU A 91 4.198 0.367 3.508 1.00 73.02 H new ATOM 0 HG LEU A 91 3.277 3.205 4.058 1.00 44.31 H new ATOM 0 HD11 LEU A 91 3.118 3.490 1.577 1.00 20.21 H new ATOM 0 HD12 LEU A 91 4.789 3.224 2.128 1.00 20.21 H new ATOM 0 HD13 LEU A 91 3.880 1.895 1.369 1.00 20.21 H new ATOM 0 HD21 LEU A 91 1.224 2.616 2.797 1.00 55.21 H new ATOM 0 HD22 LEU A 91 1.802 0.936 2.681 1.00 55.21 H new ATOM 0 HD23 LEU A 91 1.433 1.643 4.272 1.00 55.21 H new ATOM 1473 N TYR A 92 3.348 -1.438 5.603 1.00 54.42 N ATOM 1474 CA TYR A 92 2.494 -2.618 5.857 1.00 45.34 C ATOM 1475 C TYR A 92 2.020 -2.621 7.340 1.00 44.11 C ATOM 1476 O TYR A 92 0.867 -2.965 7.650 1.00 40.43 O ATOM 1477 CB TYR A 92 3.237 -3.933 5.495 1.00 15.23 C ATOM 1478 CG TYR A 92 2.484 -5.228 5.869 1.00 34.20 C ATOM 1479 CD1 TYR A 92 2.973 -6.091 6.857 1.00 72.10 C ATOM 1480 CD2 TYR A 92 1.275 -5.573 5.247 1.00 11.22 C ATOM 1481 CE1 TYR A 92 2.290 -7.242 7.201 1.00 65.12 C ATOM 1482 CE2 TYR A 92 0.595 -6.723 5.593 1.00 71.23 C ATOM 1483 CZ TYR A 92 1.105 -7.552 6.567 1.00 0.22 C ATOM 1484 OH TYR A 92 0.425 -8.695 6.917 1.00 74.53 O ATOM 0 H TYR A 92 4.299 -1.669 5.315 1.00 54.42 H new ATOM 0 HA TYR A 92 1.614 -2.559 5.216 1.00 45.34 H new ATOM 0 HB2 TYR A 92 3.432 -3.940 4.423 1.00 15.23 H new ATOM 0 HB3 TYR A 92 4.206 -3.936 5.995 1.00 15.23 H new ATOM 0 HD1 TYR A 92 3.899 -5.853 7.359 1.00 72.10 H new ATOM 0 HD2 TYR A 92 0.869 -4.927 4.483 1.00 11.22 H new ATOM 0 HE1 TYR A 92 2.683 -7.897 7.964 1.00 65.12 H new ATOM 0 HE2 TYR A 92 -0.334 -6.972 5.102 1.00 71.23 H new ATOM 0 HH TYR A 92 -0.391 -8.768 6.379 1.00 74.53 H new ATOM 1494 N LYS A 93 2.940 -2.211 8.235 1.00 1.44 N ATOM 1495 CA LYS A 93 2.674 -2.002 9.674 1.00 34.31 C ATOM 1496 C LYS A 93 1.684 -0.842 9.868 1.00 20.14 C ATOM 1497 O LYS A 93 0.814 -0.886 10.745 1.00 62.22 O ATOM 1498 CB LYS A 93 4.040 -1.754 10.412 1.00 44.01 C ATOM 1499 CG LYS A 93 3.988 -1.275 11.893 1.00 14.34 C ATOM 1500 CD LYS A 93 3.886 0.266 12.030 1.00 30.03 C ATOM 1501 CE LYS A 93 3.938 0.754 13.486 1.00 22.13 C ATOM 1502 NZ LYS A 93 5.262 0.488 14.112 1.00 43.00 N ATOM 0 H LYS A 93 3.906 -2.012 7.975 1.00 1.44 H new ATOM 0 HA LYS A 93 2.209 -2.887 10.108 1.00 34.31 H new ATOM 0 HB2 LYS A 93 4.611 -2.682 10.380 1.00 44.01 H new ATOM 0 HB3 LYS A 93 4.600 -1.014 9.840 1.00 44.01 H new ATOM 0 HG2 LYS A 93 3.133 -1.735 12.388 1.00 14.34 H new ATOM 0 HG3 LYS A 93 4.881 -1.622 12.412 1.00 14.34 H new ATOM 0 HD2 LYS A 93 4.700 0.728 11.471 1.00 30.03 H new ATOM 0 HD3 LYS A 93 2.955 0.603 11.575 1.00 30.03 H new ATOM 0 HE2 LYS A 93 3.729 1.823 13.518 1.00 22.13 H new ATOM 0 HE3 LYS A 93 3.157 0.259 14.063 1.00 22.13 H new ATOM 0 HZ1 LYS A 93 5.407 1.141 14.908 1.00 43.00 H new ATOM 0 HZ2 LYS A 93 5.292 -0.492 14.459 1.00 43.00 H new ATOM 0 HZ3 LYS A 93 6.014 0.629 13.407 1.00 43.00 H new ATOM 1516 N PHE A 94 1.841 0.200 9.049 1.00 1.52 N ATOM 1517 CA PHE A 94 1.017 1.413 9.125 1.00 61.35 C ATOM 1518 C PHE A 94 -0.454 1.128 8.759 1.00 51.13 C ATOM 1519 O PHE A 94 -1.366 1.695 9.377 1.00 73.53 O ATOM 1520 CB PHE A 94 1.623 2.525 8.226 1.00 70.12 C ATOM 1521 CG PHE A 94 0.720 3.735 8.055 1.00 43.43 C ATOM 1522 CD1 PHE A 94 0.559 4.660 9.081 1.00 73.43 C ATOM 1523 CD2 PHE A 94 -0.001 3.918 6.876 1.00 11.42 C ATOM 1524 CE1 PHE A 94 -0.294 5.731 8.933 1.00 35.44 C ATOM 1525 CE2 PHE A 94 -0.843 4.985 6.730 1.00 52.01 C ATOM 1526 CZ PHE A 94 -0.996 5.894 7.755 1.00 10.44 C ATOM 0 H PHE A 94 2.545 0.229 8.311 1.00 1.52 H new ATOM 0 HA PHE A 94 1.020 1.764 10.157 1.00 61.35 H new ATOM 0 HB2 PHE A 94 2.572 2.849 8.654 1.00 70.12 H new ATOM 0 HB3 PHE A 94 1.843 2.106 7.244 1.00 70.12 H new ATOM 0 HD1 PHE A 94 1.108 4.537 10.003 1.00 73.43 H new ATOM 0 HD2 PHE A 94 0.107 3.209 6.069 1.00 11.42 H new ATOM 0 HE1 PHE A 94 -0.414 6.442 9.737 1.00 35.44 H new ATOM 0 HE2 PHE A 94 -1.390 5.116 5.808 1.00 52.01 H new ATOM 0 HZ PHE A 94 -1.665 6.734 7.637 1.00 10.44 H new ATOM 1536 N ILE A 95 -0.703 0.240 7.770 1.00 60.11 N ATOM 1537 CA ILE A 95 -2.096 -0.098 7.379 1.00 15.30 C ATOM 1538 C ILE A 95 -2.754 -1.022 8.429 1.00 51.24 C ATOM 1539 O ILE A 95 -3.923 -1.325 8.322 1.00 71.34 O ATOM 1540 CB ILE A 95 -2.234 -0.676 5.900 1.00 10.21 C ATOM 1541 CG1 ILE A 95 -1.930 -2.218 5.802 1.00 24.03 C ATOM 1542 CG2 ILE A 95 -1.369 0.151 4.917 1.00 44.24 C ATOM 1543 CD1 ILE A 95 -1.672 -2.747 4.391 1.00 22.24 C ATOM 0 H ILE A 95 0.019 -0.246 7.238 1.00 60.11 H new ATOM 0 HA ILE A 95 -2.643 0.845 7.360 1.00 15.30 H new ATOM 0 HB ILE A 95 -3.280 -0.573 5.612 1.00 10.21 H new ATOM 0 HG12 ILE A 95 -1.060 -2.439 6.420 1.00 24.03 H new ATOM 0 HG13 ILE A 95 -2.771 -2.765 6.229 1.00 24.03 H new ATOM 0 HG21 ILE A 95 -1.473 -0.255 3.911 1.00 44.24 H new ATOM 0 HG22 ILE A 95 -1.701 1.189 4.925 1.00 44.24 H new ATOM 0 HG23 ILE A 95 -0.324 0.102 5.222 1.00 44.24 H new ATOM 0 HD11 ILE A 95 -1.473 -3.818 4.435 1.00 22.24 H new ATOM 0 HD12 ILE A 95 -2.548 -2.566 3.769 1.00 22.24 H new ATOM 0 HD13 ILE A 95 -0.810 -2.235 3.962 1.00 22.24 H new ATOM 1555 N THR A 96 -1.970 -1.441 9.459 1.00 14.20 N ATOM 1556 CA THR A 96 -2.464 -2.220 10.610 1.00 11.44 C ATOM 1557 C THR A 96 -2.296 -1.414 11.919 1.00 51.52 C ATOM 1558 O THR A 96 -2.412 -1.981 13.011 1.00 24.55 O ATOM 1559 CB THR A 96 -1.707 -3.586 10.734 1.00 73.22 C ATOM 1560 OG1 THR A 96 -0.303 -3.379 10.570 1.00 70.52 O ATOM 1561 CG2 THR A 96 -2.179 -4.625 9.711 1.00 54.12 C ATOM 0 H THR A 96 -0.971 -1.242 9.507 1.00 14.20 H new ATOM 0 HA THR A 96 -3.522 -2.423 10.444 1.00 11.44 H new ATOM 0 HB THR A 96 -1.928 -3.977 11.727 1.00 73.22 H new ATOM 0 HG1 THR A 96 -0.086 -2.442 10.760 1.00 70.52 H new ATOM 0 HG21 THR A 96 -1.618 -5.550 9.846 1.00 54.12 H new ATOM 0 HG22 THR A 96 -3.242 -4.821 9.855 1.00 54.12 H new ATOM 0 HG23 THR A 96 -2.013 -4.245 8.703 1.00 54.12 H new