USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 586 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 56 GLN : amide:sc= -0.0284 K(o=-0.055,f=-3.2!) USER MOD Set 1.2: A 97 SER OG : rot 180:sc= -0.0271 USER MOD Set 2.1: A 82 ASN : amide:sc= 1.16 K(o=2.1,f=-0.42) USER MOD Set 2.2: A 129 GLN : amide:sc= 0.989 K(o=2.1,f=-0.42) USER MOD Set 3.1: A 63 THR OG1 : rot 142:sc= 1.26 USER MOD Set 3.2: A 66 THR OG1 : rot 90:sc= 0.0424 USER MOD Set 4.1: A 55 TYR OH : rot 180:sc= 0.162 USER MOD Set 4.2: A 75 SER OG : rot 154:sc= 0.162 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -68:sc= 1.17 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -122:sc= -0.27 (180deg=-2.59!) USER MOD Single : A 76 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.1) USER MOD Single : A 77 MET CE :methyl -107:sc= -2.39 (180deg=-4.4!) USER MOD Single : A 78 GLN : amide:sc= -0.145 K(o=-0.14,f=-0.66) USER MOD Single : A 80 SER OG : rot 9:sc= -2.75! USER MOD Single : A 81 TYR OH : rot 85:sc= -0.466! USER MOD Single : A 85 SER OG : rot 180:sc= -0.0403 USER MOD Single : A 87 TYR OH : rot 30:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 98 THR OG1 : rot 130:sc= 0.0155 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc=-0.00329 F(o=-1.2!,f=-0.0033) USER MOD Single : A 103 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.015) USER MOD Single : A 106 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 109 SER OG : rot 85:sc= 1.85 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.495 USER MOD Single : A 115 GLN : amide:sc= -0.0824 X(o=-0.082,f=-0.082) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.8!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 510 N TYR A 53 0.347 -11.408 -1.170 1.00 10.00 N ATOM 511 CA TYR A 53 0.273 -10.186 -1.952 1.00 10.00 C ATOM 512 C TYR A 53 1.630 -9.854 -2.570 1.00 10.00 C ATOM 513 O TYR A 53 2.656 -9.841 -1.883 1.00 10.00 O ATOM 514 CB TYR A 53 -0.213 -9.037 -1.064 1.00 10.00 C ATOM 515 CG TYR A 53 -0.212 -7.685 -1.737 1.00 10.00 C ATOM 516 CD1 TYR A 53 -0.899 -7.473 -2.925 1.00 10.00 C ATOM 517 CD2 TYR A 53 0.472 -6.619 -1.175 1.00 10.00 C ATOM 518 CE1 TYR A 53 -0.898 -6.236 -3.535 1.00 10.00 C ATOM 519 CE2 TYR A 53 0.474 -5.379 -1.777 1.00 10.00 C ATOM 520 CZ TYR A 53 -0.211 -5.192 -2.956 1.00 10.00 C ATOM 521 OH TYR A 53 -0.218 -3.952 -3.553 1.00 10.00 O ATOM 0 HA TYR A 53 -0.437 -10.330 -2.767 1.00 10.00 H new ATOM 0 HB2 TYR A 53 -1.225 -9.259 -0.724 1.00 10.00 H new ATOM 0 HB3 TYR A 53 0.418 -8.988 -0.176 1.00 10.00 H new ATOM 0 HD1 TYR A 53 -1.442 -8.289 -3.378 1.00 10.00 H new ATOM 0 HD2 TYR A 53 1.012 -6.762 -0.251 1.00 10.00 H new ATOM 0 HE1 TYR A 53 -1.433 -6.087 -4.461 1.00 10.00 H new ATOM 0 HE2 TYR A 53 1.011 -4.558 -1.325 1.00 10.00 H new ATOM 0 HH TYR A 53 0.313 -3.328 -3.016 1.00 10.00 H new ATOM 531 N THR A 54 1.625 -9.602 -3.869 1.00 10.00 N ATOM 532 CA THR A 54 2.839 -9.270 -4.593 1.00 10.00 C ATOM 533 C THR A 54 3.169 -7.792 -4.440 1.00 10.00 C ATOM 534 O THR A 54 2.371 -6.923 -4.801 1.00 10.00 O ATOM 535 CB THR A 54 2.695 -9.606 -6.087 1.00 10.00 C ATOM 536 OG1 THR A 54 2.081 -10.894 -6.240 1.00 10.00 O ATOM 537 CG2 THR A 54 4.051 -9.594 -6.783 1.00 10.00 C ATOM 0 H THR A 54 0.785 -9.622 -4.447 1.00 10.00 H new ATOM 0 HA THR A 54 3.649 -9.865 -4.170 1.00 10.00 H new ATOM 0 HB THR A 54 2.066 -8.846 -6.549 1.00 10.00 H new ATOM 0 HG1 THR A 54 1.990 -11.102 -7.193 1.00 10.00 H new ATOM 0 HG21 THR A 54 3.921 -9.835 -7.838 1.00 10.00 H new ATOM 0 HG22 THR A 54 4.499 -8.605 -6.689 1.00 10.00 H new ATOM 0 HG23 THR A 54 4.704 -10.334 -6.320 1.00 10.00 H new ATOM 545 N TYR A 55 4.341 -7.513 -3.899 1.00 10.00 N ATOM 546 CA TYR A 55 4.785 -6.149 -3.696 1.00 10.00 C ATOM 547 C TYR A 55 5.474 -5.633 -4.946 1.00 10.00 C ATOM 548 O TYR A 55 6.535 -6.126 -5.334 1.00 10.00 O ATOM 549 CB TYR A 55 5.733 -6.062 -2.502 1.00 10.00 C ATOM 550 CG TYR A 55 5.112 -6.543 -1.213 1.00 10.00 C ATOM 551 CD1 TYR A 55 4.115 -5.809 -0.584 1.00 10.00 C ATOM 552 CD2 TYR A 55 5.513 -7.736 -0.634 1.00 10.00 C ATOM 553 CE1 TYR A 55 3.538 -6.251 0.588 1.00 10.00 C ATOM 554 CE2 TYR A 55 4.938 -8.186 0.536 1.00 10.00 C ATOM 555 CZ TYR A 55 3.953 -7.441 1.143 1.00 10.00 C ATOM 556 OH TYR A 55 3.375 -7.891 2.306 1.00 10.00 O ATOM 0 H TYR A 55 5.007 -8.221 -3.590 1.00 10.00 H new ATOM 0 HA TYR A 55 3.912 -5.530 -3.489 1.00 10.00 H new ATOM 0 HB2 TYR A 55 6.625 -6.653 -2.711 1.00 10.00 H new ATOM 0 HB3 TYR A 55 6.057 -5.029 -2.378 1.00 10.00 H new ATOM 0 HD1 TYR A 55 3.786 -4.877 -1.020 1.00 10.00 H new ATOM 0 HD2 TYR A 55 6.287 -8.322 -1.106 1.00 10.00 H new ATOM 0 HE1 TYR A 55 2.766 -5.668 1.067 1.00 10.00 H new ATOM 0 HE2 TYR A 55 5.259 -9.119 0.974 1.00 10.00 H new ATOM 0 HH TYR A 55 3.780 -8.745 2.563 1.00 10.00 H new ATOM 566 N GLN A 56 4.847 -4.661 -5.579 1.00 10.00 N ATOM 567 CA GLN A 56 5.372 -4.058 -6.789 1.00 10.00 C ATOM 568 C GLN A 56 4.886 -2.622 -6.899 1.00 10.00 C ATOM 569 O GLN A 56 3.822 -2.286 -6.382 1.00 10.00 O ATOM 570 CB GLN A 56 4.934 -4.855 -8.023 1.00 10.00 C ATOM 571 CG GLN A 56 3.434 -5.093 -8.105 1.00 10.00 C ATOM 572 CD GLN A 56 3.033 -5.873 -9.341 1.00 10.00 C ATOM 573 OE1 GLN A 56 3.785 -6.713 -9.834 1.00 10.00 O ATOM 574 NE2 GLN A 56 1.841 -5.602 -9.845 1.00 10.00 N ATOM 0 H GLN A 56 3.959 -4.267 -5.269 1.00 10.00 H new ATOM 0 HA GLN A 56 6.461 -4.068 -6.741 1.00 10.00 H new ATOM 0 HB2 GLN A 56 5.257 -4.325 -8.919 1.00 10.00 H new ATOM 0 HB3 GLN A 56 5.445 -5.818 -8.021 1.00 10.00 H new ATOM 0 HG2 GLN A 56 3.107 -5.634 -7.217 1.00 10.00 H new ATOM 0 HG3 GLN A 56 2.917 -4.133 -8.102 1.00 10.00 H new ATOM 0 HE21 GLN A 56 1.249 -4.898 -9.405 1.00 10.00 H new ATOM 0 HE22 GLN A 56 1.513 -6.097 -10.674 1.00 10.00 H new ATOM 583 N ALA A 57 5.674 -1.783 -7.550 1.00 10.00 N ATOM 584 CA ALA A 57 5.308 -0.387 -7.733 1.00 10.00 C ATOM 585 C ALA A 57 4.424 -0.241 -8.960 1.00 10.00 C ATOM 586 O ALA A 57 4.783 -0.694 -10.049 1.00 10.00 O ATOM 587 CB ALA A 57 6.553 0.479 -7.863 1.00 10.00 C ATOM 0 H ALA A 57 6.571 -2.043 -7.961 1.00 10.00 H new ATOM 0 HA ALA A 57 4.752 -0.051 -6.858 1.00 10.00 H new ATOM 0 HB1 ALA A 57 6.260 1.520 -7.999 1.00 10.00 H new ATOM 0 HB2 ALA A 57 7.156 0.387 -6.960 1.00 10.00 H new ATOM 0 HB3 ALA A 57 7.136 0.151 -8.723 1.00 10.00 H new ATOM 593 N THR A 58 3.263 0.365 -8.786 1.00 10.00 N ATOM 594 CA THR A 58 2.347 0.553 -9.896 1.00 10.00 C ATOM 595 C THR A 58 2.353 2.003 -10.359 1.00 10.00 C ATOM 596 O THR A 58 2.577 2.917 -9.562 1.00 10.00 O ATOM 597 CB THR A 58 0.906 0.130 -9.528 1.00 10.00 C ATOM 598 OG1 THR A 58 0.349 1.025 -8.556 1.00 10.00 O ATOM 599 CG2 THR A 58 0.880 -1.286 -8.980 1.00 10.00 C ATOM 0 H THR A 58 2.934 0.733 -7.893 1.00 10.00 H new ATOM 0 HA THR A 58 2.692 -0.086 -10.709 1.00 10.00 H new ATOM 0 HB THR A 58 0.308 0.169 -10.438 1.00 10.00 H new ATOM 0 HG1 THR A 58 0.826 0.922 -7.706 1.00 10.00 H new ATOM 0 HG21 THR A 58 -0.145 -1.560 -8.729 1.00 10.00 H new ATOM 0 HG22 THR A 58 1.266 -1.974 -9.732 1.00 10.00 H new ATOM 0 HG23 THR A 58 1.500 -1.341 -8.085 1.00 10.00 H new ATOM 607 N PRO A 59 2.105 2.236 -11.659 1.00 10.00 N ATOM 608 CA PRO A 59 2.075 3.585 -12.228 1.00 10.00 C ATOM 609 C PRO A 59 0.936 4.422 -11.652 1.00 10.00 C ATOM 610 O PRO A 59 0.891 5.640 -11.827 1.00 10.00 O ATOM 611 CB PRO A 59 1.865 3.343 -13.728 1.00 10.00 C ATOM 612 CG PRO A 59 1.265 1.984 -13.818 1.00 10.00 C ATOM 613 CD PRO A 59 1.850 1.202 -12.677 1.00 10.00 C ATOM 0 HA PRO A 59 2.984 4.144 -12.005 1.00 10.00 H new ATOM 0 HB2 PRO A 59 1.205 4.095 -14.161 1.00 10.00 H new ATOM 0 HB3 PRO A 59 2.808 3.395 -14.272 1.00 10.00 H new ATOM 0 HG2 PRO A 59 0.179 2.031 -13.744 1.00 10.00 H new ATOM 0 HG3 PRO A 59 1.499 1.516 -14.774 1.00 10.00 H new ATOM 0 HD2 PRO A 59 1.159 0.441 -12.314 1.00 10.00 H new ATOM 0 HD3 PRO A 59 2.766 0.688 -12.968 1.00 10.00 H new ATOM 621 N MET A 60 0.025 3.754 -10.952 1.00 10.00 N ATOM 622 CA MET A 60 -1.111 4.423 -10.338 1.00 10.00 C ATOM 623 C MET A 60 -0.728 4.976 -8.970 1.00 10.00 C ATOM 624 O MET A 60 -1.453 5.787 -8.393 1.00 10.00 O ATOM 625 CB MET A 60 -2.296 3.464 -10.212 1.00 10.00 C ATOM 626 CG MET A 60 -2.863 3.021 -11.552 1.00 10.00 C ATOM 627 SD MET A 60 -4.524 2.334 -11.416 1.00 10.00 S ATOM 628 CE MET A 60 -4.773 1.729 -13.085 1.00 10.00 C ATOM 0 H MET A 60 0.054 2.746 -10.797 1.00 10.00 H new ATOM 0 HA MET A 60 -1.407 5.254 -10.978 1.00 10.00 H new ATOM 0 HB2 MET A 60 -1.983 2.584 -9.650 1.00 10.00 H new ATOM 0 HB3 MET A 60 -3.084 3.947 -9.635 1.00 10.00 H new ATOM 0 HG2 MET A 60 -2.882 3.872 -12.233 1.00 10.00 H new ATOM 0 HG3 MET A 60 -2.201 2.275 -11.992 1.00 10.00 H new ATOM 0 HE1 MET A 60 -5.760 1.273 -13.163 1.00 10.00 H new ATOM 0 HE2 MET A 60 -4.700 2.559 -13.788 1.00 10.00 H new ATOM 0 HE3 MET A 60 -4.011 0.986 -13.320 1.00 10.00 H new ATOM 638 N ASP A 61 0.412 4.526 -8.453 1.00 10.00 N ATOM 639 CA ASP A 61 0.899 4.991 -7.159 1.00 10.00 C ATOM 640 C ASP A 61 1.542 6.356 -7.327 1.00 10.00 C ATOM 641 O ASP A 61 1.264 7.290 -6.575 1.00 10.00 O ATOM 642 CB ASP A 61 1.914 4.009 -6.564 1.00 10.00 C ATOM 643 CG ASP A 61 1.277 2.714 -6.109 1.00 10.00 C ATOM 644 OD1 ASP A 61 0.262 2.769 -5.386 1.00 10.00 O ATOM 645 OD2 ASP A 61 1.783 1.633 -6.484 1.00 10.00 O ATOM 0 H ASP A 61 1.014 3.841 -8.910 1.00 10.00 H new ATOM 0 HA ASP A 61 0.054 5.059 -6.474 1.00 10.00 H new ATOM 0 HB2 ASP A 61 2.681 3.790 -7.307 1.00 10.00 H new ATOM 0 HB3 ASP A 61 2.415 4.479 -5.718 1.00 10.00 H new ATOM 650 N GLY A 62 2.412 6.454 -8.321 1.00 10.00 N ATOM 651 CA GLY A 62 3.079 7.702 -8.619 1.00 10.00 C ATOM 652 C GLY A 62 4.304 7.953 -7.767 1.00 10.00 C ATOM 653 O GLY A 62 5.424 7.997 -8.274 1.00 10.00 O ATOM 0 H GLY A 62 2.670 5.680 -8.933 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.370 7.707 -9.669 1.00 10.00 H new ATOM 0 HA3 GLY A 62 2.375 8.523 -8.479 1.00 10.00 H new ATOM 657 N THR A 63 4.104 8.099 -6.470 1.00 10.00 N ATOM 658 CA THR A 63 5.208 8.385 -5.572 1.00 10.00 C ATOM 659 C THR A 63 5.482 7.235 -4.612 1.00 10.00 C ATOM 660 O THR A 63 4.683 6.306 -4.494 1.00 10.00 O ATOM 661 CB THR A 63 4.946 9.675 -4.779 1.00 10.00 C ATOM 662 OG1 THR A 63 3.912 9.469 -3.812 1.00 10.00 O ATOM 663 CG2 THR A 63 4.540 10.804 -5.710 1.00 10.00 C ATOM 0 H THR A 63 3.193 8.025 -6.017 1.00 10.00 H new ATOM 0 HA THR A 63 6.093 8.518 -6.194 1.00 10.00 H new ATOM 0 HB THR A 63 5.870 9.946 -4.268 1.00 10.00 H new ATOM 0 HG1 THR A 63 4.133 9.953 -2.989 1.00 10.00 H new ATOM 0 HG21 THR A 63 4.359 11.708 -5.128 1.00 10.00 H new ATOM 0 HG22 THR A 63 5.339 10.988 -6.428 1.00 10.00 H new ATOM 0 HG23 THR A 63 3.630 10.527 -6.242 1.00 10.00 H new ATOM 671 N LEU A 64 6.617 7.315 -3.925 1.00 10.00 N ATOM 672 CA LEU A 64 7.029 6.284 -2.981 1.00 10.00 C ATOM 673 C LEU A 64 6.091 6.208 -1.780 1.00 10.00 C ATOM 674 O LEU A 64 5.727 5.115 -1.347 1.00 10.00 O ATOM 675 CB LEU A 64 8.458 6.543 -2.509 1.00 10.00 C ATOM 676 CG LEU A 64 9.040 5.466 -1.592 1.00 10.00 C ATOM 677 CD1 LEU A 64 9.177 4.143 -2.333 1.00 10.00 C ATOM 678 CD2 LEU A 64 10.381 5.911 -1.028 1.00 10.00 C ATOM 0 H LEU A 64 7.273 8.092 -4.007 1.00 10.00 H new ATOM 0 HA LEU A 64 6.985 5.327 -3.500 1.00 10.00 H new ATOM 0 HB2 LEU A 64 9.101 6.641 -3.383 1.00 10.00 H new ATOM 0 HB3 LEU A 64 8.484 7.498 -1.985 1.00 10.00 H new ATOM 0 HG LEU A 64 8.352 5.317 -0.759 1.00 10.00 H new ATOM 0 HD11 LEU A 64 9.593 3.391 -1.662 1.00 10.00 H new ATOM 0 HD12 LEU A 64 8.196 3.817 -2.680 1.00 10.00 H new ATOM 0 HD13 LEU A 64 9.840 4.272 -3.188 1.00 10.00 H new ATOM 0 HD21 LEU A 64 10.779 5.132 -0.378 1.00 10.00 H new ATOM 0 HD22 LEU A 64 11.078 6.092 -1.846 1.00 10.00 H new ATOM 0 HD23 LEU A 64 10.248 6.829 -0.455 1.00 10.00 H new ATOM 690 N LYS A 65 5.706 7.364 -1.247 1.00 10.00 N ATOM 691 CA LYS A 65 4.810 7.413 -0.095 1.00 10.00 C ATOM 692 C LYS A 65 3.529 6.642 -0.385 1.00 10.00 C ATOM 693 O LYS A 65 3.162 5.727 0.348 1.00 10.00 O ATOM 694 CB LYS A 65 4.474 8.863 0.263 1.00 10.00 C ATOM 695 CG LYS A 65 3.646 9.009 1.531 1.00 10.00 C ATOM 696 CD LYS A 65 3.130 10.430 1.704 1.00 10.00 C ATOM 697 CE LYS A 65 4.234 11.383 2.134 1.00 10.00 C ATOM 698 NZ LYS A 65 3.754 12.787 2.200 1.00 10.00 N ATOM 0 H LYS A 65 5.999 8.278 -1.593 1.00 10.00 H new ATOM 0 HA LYS A 65 5.318 6.950 0.751 1.00 10.00 H new ATOM 0 HB2 LYS A 65 5.402 9.422 0.380 1.00 10.00 H new ATOM 0 HB3 LYS A 65 3.932 9.316 -0.567 1.00 10.00 H new ATOM 0 HG2 LYS A 65 2.804 8.317 1.498 1.00 10.00 H new ATOM 0 HG3 LYS A 65 4.251 8.734 2.395 1.00 10.00 H new ATOM 0 HD2 LYS A 65 2.696 10.776 0.766 1.00 10.00 H new ATOM 0 HD3 LYS A 65 2.332 10.439 2.447 1.00 10.00 H new ATOM 0 HE2 LYS A 65 4.614 11.082 3.110 1.00 10.00 H new ATOM 0 HE3 LYS A 65 5.066 11.316 1.433 1.00 10.00 H new ATOM 0 HZ1 LYS A 65 4.534 13.407 2.497 1.00 10.00 H new ATOM 0 HZ2 LYS A 65 3.414 13.082 1.262 1.00 10.00 H new ATOM 0 HZ3 LYS A 65 2.977 12.856 2.887 1.00 10.00 H new ATOM 712 N THR A 66 2.877 7.003 -1.477 1.00 10.00 N ATOM 713 CA THR A 66 1.640 6.367 -1.884 1.00 10.00 C ATOM 714 C THR A 66 1.857 4.892 -2.241 1.00 10.00 C ATOM 715 O THR A 66 1.034 4.038 -1.906 1.00 10.00 O ATOM 716 CB THR A 66 1.047 7.119 -3.087 1.00 10.00 C ATOM 717 OG1 THR A 66 0.978 8.520 -2.784 1.00 10.00 O ATOM 718 CG2 THR A 66 -0.336 6.610 -3.437 1.00 10.00 C ATOM 0 H THR A 66 3.191 7.744 -2.104 1.00 10.00 H new ATOM 0 HA THR A 66 0.944 6.406 -1.046 1.00 10.00 H new ATOM 0 HB THR A 66 1.696 6.949 -3.946 1.00 10.00 H new ATOM 0 HG1 THR A 66 1.812 8.956 -3.059 1.00 10.00 H new ATOM 0 HG21 THR A 66 -0.723 7.165 -4.292 1.00 10.00 H new ATOM 0 HG22 THR A 66 -0.281 5.551 -3.687 1.00 10.00 H new ATOM 0 HG23 THR A 66 -1.001 6.747 -2.584 1.00 10.00 H new ATOM 726 N MET A 67 2.976 4.602 -2.895 1.00 10.00 N ATOM 727 CA MET A 67 3.308 3.241 -3.305 1.00 10.00 C ATOM 728 C MET A 67 3.452 2.321 -2.096 1.00 10.00 C ATOM 729 O MET A 67 2.872 1.235 -2.053 1.00 10.00 O ATOM 730 CB MET A 67 4.606 3.251 -4.117 1.00 10.00 C ATOM 731 CG MET A 67 4.763 2.058 -5.046 1.00 10.00 C ATOM 732 SD MET A 67 5.592 0.663 -4.264 1.00 10.00 S ATOM 733 CE MET A 67 7.268 1.281 -4.123 1.00 10.00 C ATOM 0 H MET A 67 3.675 5.298 -3.155 1.00 10.00 H new ATOM 0 HA MET A 67 2.495 2.859 -3.922 1.00 10.00 H new ATOM 0 HB2 MET A 67 4.646 4.166 -4.708 1.00 10.00 H new ATOM 0 HB3 MET A 67 5.452 3.278 -3.430 1.00 10.00 H new ATOM 0 HG2 MET A 67 3.779 1.742 -5.392 1.00 10.00 H new ATOM 0 HG3 MET A 67 5.328 2.362 -5.927 1.00 10.00 H new ATOM 0 HE1 MET A 67 7.949 0.610 -4.647 1.00 10.00 H new ATOM 0 HE2 MET A 67 7.327 2.276 -4.565 1.00 10.00 H new ATOM 0 HE3 MET A 67 7.549 1.334 -3.071 1.00 10.00 H new ATOM 743 N LEU A 68 4.212 2.775 -1.105 1.00 10.00 N ATOM 744 CA LEU A 68 4.442 1.996 0.106 1.00 10.00 C ATOM 745 C LEU A 68 3.167 1.866 0.932 1.00 10.00 C ATOM 746 O LEU A 68 2.968 0.860 1.619 1.00 10.00 O ATOM 747 CB LEU A 68 5.557 2.624 0.944 1.00 10.00 C ATOM 748 CG LEU A 68 6.973 2.405 0.405 1.00 10.00 C ATOM 749 CD1 LEU A 68 7.966 3.287 1.144 1.00 10.00 C ATOM 750 CD2 LEU A 68 7.372 0.940 0.529 1.00 10.00 C ATOM 0 H LEU A 68 4.680 3.681 -1.117 1.00 10.00 H new ATOM 0 HA LEU A 68 4.751 0.995 -0.196 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.375 3.696 1.019 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.503 2.220 1.955 1.00 10.00 H new ATOM 0 HG LEU A 68 6.984 2.678 -0.650 1.00 10.00 H new ATOM 0 HD11 LEU A 68 8.967 3.118 0.748 1.00 10.00 H new ATOM 0 HD12 LEU A 68 7.694 4.334 1.009 1.00 10.00 H new ATOM 0 HD13 LEU A 68 7.950 3.042 2.206 1.00 10.00 H new ATOM 0 HD21 LEU A 68 8.381 0.804 0.141 1.00 10.00 H new ATOM 0 HD22 LEU A 68 7.343 0.642 1.577 1.00 10.00 H new ATOM 0 HD23 LEU A 68 6.677 0.324 -0.042 1.00 10.00 H new ATOM 762 N GLU A 69 2.309 2.883 0.870 1.00 10.00 N ATOM 763 CA GLU A 69 1.049 2.854 1.603 1.00 10.00 C ATOM 764 C GLU A 69 0.191 1.701 1.104 1.00 10.00 C ATOM 765 O GLU A 69 -0.420 0.983 1.896 1.00 10.00 O ATOM 766 CB GLU A 69 0.291 4.178 1.459 1.00 10.00 C ATOM 767 CG GLU A 69 0.843 5.290 2.334 1.00 10.00 C ATOM 768 CD GLU A 69 -0.243 6.104 3.002 1.00 10.00 C ATOM 769 OE1 GLU A 69 -0.776 7.039 2.360 1.00 10.00 O ATOM 770 OE2 GLU A 69 -0.571 5.816 4.171 1.00 10.00 O ATOM 0 H GLU A 69 2.463 3.730 0.324 1.00 10.00 H new ATOM 0 HA GLU A 69 1.271 2.710 2.660 1.00 10.00 H new ATOM 0 HB2 GLU A 69 0.325 4.496 0.417 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.758 4.016 1.709 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.489 4.858 3.098 1.00 10.00 H new ATOM 0 HG3 GLU A 69 1.464 5.949 1.727 1.00 10.00 H new ATOM 777 N ARG A 70 0.165 1.519 -0.215 1.00 10.00 N ATOM 778 CA ARG A 70 -0.596 0.435 -0.826 1.00 10.00 C ATOM 779 C ARG A 70 -0.087 -0.911 -0.328 1.00 10.00 C ATOM 780 O ARG A 70 -0.871 -1.803 -0.011 1.00 10.00 O ATOM 781 CB ARG A 70 -0.481 0.480 -2.351 1.00 10.00 C ATOM 782 CG ARG A 70 -1.534 1.341 -3.035 1.00 10.00 C ATOM 783 CD ARG A 70 -2.944 0.784 -2.857 1.00 10.00 C ATOM 784 NE ARG A 70 -3.000 -0.681 -2.930 1.00 10.00 N ATOM 785 CZ ARG A 70 -2.907 -1.390 -4.059 1.00 10.00 C ATOM 786 NH1 ARG A 70 -2.676 -0.790 -5.221 1.00 10.00 N ATOM 787 NH2 ARG A 70 -3.041 -2.713 -4.024 1.00 10.00 N ATOM 0 H ARG A 70 0.663 2.110 -0.880 1.00 10.00 H new ATOM 0 HA ARG A 70 -1.642 0.560 -0.544 1.00 10.00 H new ATOM 0 HB2 ARG A 70 0.507 0.855 -2.618 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -0.552 -0.536 -2.739 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -1.492 2.352 -2.631 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.306 1.413 -4.098 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -3.337 1.109 -1.894 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -3.594 1.205 -3.625 1.00 10.00 H new ATOM 0 HE ARG A 70 -3.118 -1.195 -2.057 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -2.567 0.223 -5.259 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -2.607 -1.343 -6.076 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -3.214 -3.185 -3.136 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -2.970 -3.256 -4.885 1.00 10.00 H new ATOM 801 N TRP A 71 1.234 -1.033 -0.253 1.00 10.00 N ATOM 802 CA TRP A 71 1.881 -2.259 0.200 1.00 10.00 C ATOM 803 C TRP A 71 1.463 -2.605 1.620 1.00 10.00 C ATOM 804 O TRP A 71 0.963 -3.700 1.886 1.00 10.00 O ATOM 805 CB TRP A 71 3.403 -2.113 0.144 1.00 10.00 C ATOM 806 CG TRP A 71 3.974 -2.193 -1.236 1.00 10.00 C ATOM 807 CD1 TRP A 71 3.289 -2.148 -2.416 1.00 10.00 C ATOM 808 CD2 TRP A 71 5.355 -2.337 -1.579 1.00 10.00 C ATOM 809 NE1 TRP A 71 4.161 -2.249 -3.471 1.00 10.00 N ATOM 810 CE2 TRP A 71 5.435 -2.368 -2.982 1.00 10.00 C ATOM 811 CE3 TRP A 71 6.532 -2.442 -0.832 1.00 10.00 C ATOM 812 CZ2 TRP A 71 6.649 -2.498 -3.654 1.00 10.00 C ATOM 813 CZ3 TRP A 71 7.734 -2.572 -1.501 1.00 10.00 C ATOM 814 CH2 TRP A 71 7.784 -2.598 -2.898 1.00 10.00 C ATOM 0 H TRP A 71 1.884 -0.288 -0.503 1.00 10.00 H new ATOM 0 HA TRP A 71 1.568 -3.063 -0.466 1.00 10.00 H new ATOM 0 HB2 TRP A 71 3.682 -1.157 0.586 1.00 10.00 H new ATOM 0 HB3 TRP A 71 3.855 -2.892 0.758 1.00 10.00 H new ATOM 0 HD1 TRP A 71 2.217 -2.048 -2.506 1.00 10.00 H new ATOM 0 HE1 TRP A 71 3.903 -2.237 -4.458 1.00 10.00 H new ATOM 0 HE3 TRP A 71 6.502 -2.422 0.247 1.00 10.00 H new ATOM 0 HZ2 TRP A 71 6.692 -2.519 -4.733 1.00 10.00 H new ATOM 0 HZ3 TRP A 71 8.650 -2.655 -0.935 1.00 10.00 H new ATOM 0 HH2 TRP A 71 8.740 -2.699 -3.391 1.00 10.00 H new ATOM 825 N ALA A 72 1.662 -1.655 2.525 1.00 10.00 N ATOM 826 CA ALA A 72 1.326 -1.847 3.926 1.00 10.00 C ATOM 827 C ALA A 72 -0.167 -2.080 4.126 1.00 10.00 C ATOM 828 O ALA A 72 -0.562 -3.016 4.813 1.00 10.00 O ATOM 829 CB ALA A 72 1.792 -0.654 4.747 1.00 10.00 C ATOM 0 H ALA A 72 2.057 -0.739 2.310 1.00 10.00 H new ATOM 0 HA ALA A 72 1.844 -2.742 4.270 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.534 -0.810 5.795 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.872 -0.546 4.651 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.304 0.250 4.384 1.00 10.00 H new ATOM 835 N ALA A 73 -0.995 -1.251 3.504 1.00 10.00 N ATOM 836 CA ALA A 73 -2.445 -1.372 3.647 1.00 10.00 C ATOM 837 C ALA A 73 -2.967 -2.705 3.115 1.00 10.00 C ATOM 838 O ALA A 73 -3.903 -3.280 3.672 1.00 10.00 O ATOM 839 CB ALA A 73 -3.142 -0.221 2.943 1.00 10.00 C ATOM 0 H ALA A 73 -0.692 -0.489 2.897 1.00 10.00 H new ATOM 0 HA ALA A 73 -2.669 -1.334 4.713 1.00 10.00 H new ATOM 0 HB1 ALA A 73 -4.221 -0.324 3.058 1.00 10.00 H new ATOM 0 HB2 ALA A 73 -2.819 0.723 3.382 1.00 10.00 H new ATOM 0 HB3 ALA A 73 -2.887 -0.235 1.883 1.00 10.00 H new ATOM 845 N ASP A 74 -2.362 -3.202 2.042 1.00 10.00 N ATOM 846 CA ASP A 74 -2.793 -4.464 1.440 1.00 10.00 C ATOM 847 C ASP A 74 -2.385 -5.666 2.289 1.00 10.00 C ATOM 848 O ASP A 74 -3.002 -6.726 2.215 1.00 10.00 O ATOM 849 CB ASP A 74 -2.223 -4.614 0.034 1.00 10.00 C ATOM 850 CG ASP A 74 -3.292 -4.931 -0.992 1.00 10.00 C ATOM 851 OD1 ASP A 74 -3.824 -6.058 -0.980 1.00 10.00 O ATOM 852 OD2 ASP A 74 -3.605 -4.046 -1.818 1.00 10.00 O ATOM 0 H ASP A 74 -1.575 -2.755 1.571 1.00 10.00 H new ATOM 0 HA ASP A 74 -3.881 -4.437 1.387 1.00 10.00 H new ATOM 0 HB2 ASP A 74 -1.714 -3.693 -0.249 1.00 10.00 H new ATOM 0 HB3 ASP A 74 -1.474 -5.406 0.031 1.00 10.00 H new ATOM 857 N SER A 75 -1.353 -5.501 3.100 1.00 10.00 N ATOM 858 CA SER A 75 -0.881 -6.592 3.938 1.00 10.00 C ATOM 859 C SER A 75 -1.208 -6.351 5.409 1.00 10.00 C ATOM 860 O SER A 75 -0.760 -7.103 6.278 1.00 10.00 O ATOM 861 CB SER A 75 0.625 -6.775 3.757 1.00 10.00 C ATOM 862 OG SER A 75 1.060 -8.017 4.291 1.00 10.00 O ATOM 0 H SER A 75 -0.830 -4.631 3.196 1.00 10.00 H new ATOM 0 HA SER A 75 -1.396 -7.501 3.628 1.00 10.00 H new ATOM 0 HB2 SER A 75 0.875 -6.724 2.697 1.00 10.00 H new ATOM 0 HB3 SER A 75 1.155 -5.959 4.249 1.00 10.00 H new ATOM 0 HG SER A 75 1.875 -8.305 3.828 1.00 10.00 H new ATOM 868 N ASN A 76 -1.979 -5.298 5.684 1.00 10.00 N ATOM 869 CA ASN A 76 -2.369 -4.956 7.055 1.00 10.00 C ATOM 870 C ASN A 76 -1.131 -4.630 7.896 1.00 10.00 C ATOM 871 O ASN A 76 -1.035 -4.990 9.069 1.00 10.00 O ATOM 872 CB ASN A 76 -3.168 -6.104 7.688 1.00 10.00 C ATOM 873 CG ASN A 76 -3.911 -5.692 8.944 1.00 10.00 C ATOM 874 OD1 ASN A 76 -4.341 -4.546 9.081 1.00 10.00 O ATOM 875 ND2 ASN A 76 -4.062 -6.625 9.868 1.00 10.00 N ATOM 0 H ASN A 76 -2.347 -4.665 4.974 1.00 10.00 H new ATOM 0 HA ASN A 76 -3.006 -4.072 7.025 1.00 10.00 H new ATOM 0 HB2 ASN A 76 -3.883 -6.486 6.959 1.00 10.00 H new ATOM 0 HB3 ASN A 76 -2.489 -6.922 7.927 1.00 10.00 H new ATOM 0 HD21 ASN A 76 -4.551 -6.408 10.736 1.00 10.00 H new ATOM 0 HD22 ASN A 76 -3.690 -7.562 9.713 1.00 10.00 H new ATOM 882 N MET A 77 -0.180 -3.945 7.277 1.00 10.00 N ATOM 883 CA MET A 77 1.061 -3.562 7.932 1.00 10.00 C ATOM 884 C MET A 77 1.105 -2.055 8.135 1.00 10.00 C ATOM 885 O MET A 77 0.228 -1.332 7.661 1.00 10.00 O ATOM 886 CB MET A 77 2.261 -4.005 7.090 1.00 10.00 C ATOM 887 CG MET A 77 2.482 -5.509 7.075 1.00 10.00 C ATOM 888 SD MET A 77 3.637 -6.027 5.788 1.00 10.00 S ATOM 889 CE MET A 77 5.043 -4.973 6.138 1.00 10.00 C ATOM 0 H MET A 77 -0.248 -3.639 6.306 1.00 10.00 H new ATOM 0 HA MET A 77 1.107 -4.053 8.904 1.00 10.00 H new ATOM 0 HB2 MET A 77 2.122 -3.658 6.066 1.00 10.00 H new ATOM 0 HB3 MET A 77 3.159 -3.520 7.472 1.00 10.00 H new ATOM 0 HG2 MET A 77 2.860 -5.827 8.047 1.00 10.00 H new ATOM 0 HG3 MET A 77 1.527 -6.012 6.925 1.00 10.00 H new ATOM 0 HE1 MET A 77 5.114 -4.196 5.377 1.00 10.00 H new ATOM 0 HE2 MET A 77 4.917 -4.511 7.117 1.00 10.00 H new ATOM 0 HE3 MET A 77 5.955 -5.570 6.133 1.00 10.00 H new ATOM 899 N GLN A 78 2.121 -1.583 8.838 1.00 10.00 N ATOM 900 CA GLN A 78 2.269 -0.157 9.091 1.00 10.00 C ATOM 901 C GLN A 78 3.426 0.407 8.273 1.00 10.00 C ATOM 902 O GLN A 78 4.312 -0.336 7.852 1.00 10.00 O ATOM 903 CB GLN A 78 2.493 0.098 10.582 1.00 10.00 C ATOM 904 CG GLN A 78 1.277 -0.220 11.437 1.00 10.00 C ATOM 905 CD GLN A 78 0.081 0.649 11.098 1.00 10.00 C ATOM 906 OE1 GLN A 78 0.227 1.812 10.723 1.00 10.00 O ATOM 907 NE2 GLN A 78 -1.110 0.092 11.229 1.00 10.00 N ATOM 0 H GLN A 78 2.855 -2.164 9.243 1.00 10.00 H new ATOM 0 HA GLN A 78 1.352 0.349 8.789 1.00 10.00 H new ATOM 0 HB2 GLN A 78 3.336 -0.503 10.924 1.00 10.00 H new ATOM 0 HB3 GLN A 78 2.767 1.143 10.727 1.00 10.00 H new ATOM 0 HG2 GLN A 78 1.009 -1.268 11.305 1.00 10.00 H new ATOM 0 HG3 GLN A 78 1.532 -0.086 12.488 1.00 10.00 H new ATOM 0 HE21 GLN A 78 -1.189 -0.875 11.543 1.00 10.00 H new ATOM 0 HE22 GLN A 78 -1.950 0.629 11.016 1.00 10.00 H new ATOM 916 N LEU A 79 3.420 1.715 8.052 1.00 10.00 N ATOM 917 CA LEU A 79 4.465 2.366 7.275 1.00 10.00 C ATOM 918 C LEU A 79 4.968 3.611 7.981 1.00 10.00 C ATOM 919 O LEU A 79 4.186 4.395 8.516 1.00 10.00 O ATOM 920 CB LEU A 79 3.950 2.733 5.880 1.00 10.00 C ATOM 921 CG LEU A 79 4.876 3.642 5.065 1.00 10.00 C ATOM 922 CD1 LEU A 79 6.048 2.851 4.514 1.00 10.00 C ATOM 923 CD2 LEU A 79 4.112 4.328 3.944 1.00 10.00 C ATOM 0 H LEU A 79 2.700 2.347 8.402 1.00 10.00 H new ATOM 0 HA LEU A 79 5.292 1.664 7.174 1.00 10.00 H new ATOM 0 HB2 LEU A 79 3.782 1.814 5.318 1.00 10.00 H new ATOM 0 HB3 LEU A 79 2.983 3.225 5.984 1.00 10.00 H new ATOM 0 HG LEU A 79 5.266 4.415 5.728 1.00 10.00 H new ATOM 0 HD11 LEU A 79 6.695 3.513 3.938 1.00 10.00 H new ATOM 0 HD12 LEU A 79 6.614 2.417 5.338 1.00 10.00 H new ATOM 0 HD13 LEU A 79 5.678 2.054 3.869 1.00 10.00 H new ATOM 0 HD21 LEU A 79 4.790 4.968 3.380 1.00 10.00 H new ATOM 0 HD22 LEU A 79 3.686 3.575 3.280 1.00 10.00 H new ATOM 0 HD23 LEU A 79 3.310 4.933 4.367 1.00 10.00 H new ATOM 935 N SER A 80 6.272 3.779 7.980 1.00 10.00 N ATOM 936 CA SER A 80 6.893 4.921 8.606 1.00 10.00 C ATOM 937 C SER A 80 7.768 5.674 7.608 1.00 10.00 C ATOM 938 O SER A 80 8.909 5.289 7.343 1.00 10.00 O ATOM 939 CB SER A 80 7.704 4.458 9.811 1.00 10.00 C ATOM 940 OG SER A 80 6.871 4.300 10.943 1.00 10.00 O ATOM 0 H SER A 80 6.928 3.129 7.546 1.00 10.00 H new ATOM 0 HA SER A 80 6.120 5.610 8.947 1.00 10.00 H new ATOM 0 HB2 SER A 80 8.198 3.514 9.582 1.00 10.00 H new ATOM 0 HB3 SER A 80 8.488 5.183 10.029 1.00 10.00 H new ATOM 0 HG SER A 80 5.933 4.385 10.673 1.00 10.00 H new ATOM 946 N TYR A 81 7.213 6.735 7.037 1.00 10.00 N ATOM 947 CA TYR A 81 7.929 7.546 6.068 1.00 10.00 C ATOM 948 C TYR A 81 8.755 8.602 6.791 1.00 10.00 C ATOM 949 O TYR A 81 8.243 9.660 7.162 1.00 10.00 O ATOM 950 CB TYR A 81 6.930 8.217 5.122 1.00 10.00 C ATOM 951 CG TYR A 81 7.459 8.483 3.729 1.00 10.00 C ATOM 952 CD1 TYR A 81 7.614 7.449 2.818 1.00 10.00 C ATOM 953 CD2 TYR A 81 7.783 9.771 3.320 1.00 10.00 C ATOM 954 CE1 TYR A 81 8.078 7.687 1.537 1.00 10.00 C ATOM 955 CE2 TYR A 81 8.242 10.020 2.040 1.00 10.00 C ATOM 956 CZ TYR A 81 8.388 8.977 1.152 1.00 10.00 C ATOM 957 OH TYR A 81 8.840 9.224 -0.126 1.00 10.00 O ATOM 0 H TYR A 81 6.264 7.053 7.231 1.00 10.00 H new ATOM 0 HA TYR A 81 8.598 6.911 5.487 1.00 10.00 H new ATOM 0 HB2 TYR A 81 6.044 7.587 5.045 1.00 10.00 H new ATOM 0 HB3 TYR A 81 6.612 9.162 5.562 1.00 10.00 H new ATOM 0 HD1 TYR A 81 7.368 6.440 3.114 1.00 10.00 H new ATOM 0 HD2 TYR A 81 7.674 10.591 4.014 1.00 10.00 H new ATOM 0 HE1 TYR A 81 8.197 6.869 0.842 1.00 10.00 H new ATOM 0 HE2 TYR A 81 8.485 11.028 1.738 1.00 10.00 H new ATOM 0 HH TYR A 81 8.075 9.331 -0.729 1.00 10.00 H new ATOM 967 N ASN A 82 10.032 8.318 6.984 1.00 10.00 N ATOM 968 CA ASN A 82 10.921 9.241 7.679 1.00 10.00 C ATOM 969 C ASN A 82 11.840 9.955 6.700 1.00 10.00 C ATOM 970 O ASN A 82 12.957 10.340 7.046 1.00 10.00 O ATOM 971 CB ASN A 82 11.758 8.493 8.721 1.00 10.00 C ATOM 972 CG ASN A 82 10.935 7.971 9.885 1.00 10.00 C ATOM 973 OD1 ASN A 82 9.904 8.541 10.247 1.00 10.00 O ATOM 974 ND2 ASN A 82 11.391 6.882 10.489 1.00 10.00 N ATOM 0 H ASN A 82 10.479 7.456 6.670 1.00 10.00 H new ATOM 0 HA ASN A 82 10.303 9.985 8.182 1.00 10.00 H new ATOM 0 HB2 ASN A 82 12.265 7.657 8.239 1.00 10.00 H new ATOM 0 HB3 ASN A 82 12.533 9.159 9.102 1.00 10.00 H new ATOM 0 HD21 ASN A 82 10.884 6.489 11.282 1.00 10.00 H new ATOM 0 HD22 ASN A 82 12.248 6.438 10.161 1.00 10.00 H new ATOM 981 N LEU A 83 11.361 10.137 5.480 1.00 10.00 N ATOM 982 CA LEU A 83 12.136 10.810 4.448 1.00 10.00 C ATOM 983 C LEU A 83 11.885 12.310 4.488 1.00 10.00 C ATOM 984 O LEU A 83 10.783 12.747 4.818 1.00 10.00 O ATOM 985 CB LEU A 83 11.774 10.275 3.062 1.00 10.00 C ATOM 986 CG LEU A 83 12.039 8.788 2.838 1.00 10.00 C ATOM 987 CD1 LEU A 83 11.777 8.421 1.391 1.00 10.00 C ATOM 988 CD2 LEU A 83 13.464 8.427 3.228 1.00 10.00 C ATOM 0 H LEU A 83 10.437 9.828 5.179 1.00 10.00 H new ATOM 0 HA LEU A 83 13.191 10.614 4.641 1.00 10.00 H new ATOM 0 HB2 LEU A 83 10.716 10.468 2.883 1.00 10.00 H new ATOM 0 HB3 LEU A 83 12.332 10.841 2.317 1.00 10.00 H new ATOM 0 HG LEU A 83 11.359 8.219 3.473 1.00 10.00 H new ATOM 0 HD11 LEU A 83 11.970 7.358 1.245 1.00 10.00 H new ATOM 0 HD12 LEU A 83 10.738 8.639 1.143 1.00 10.00 H new ATOM 0 HD13 LEU A 83 12.434 9.001 0.744 1.00 10.00 H new ATOM 0 HD21 LEU A 83 13.629 7.363 3.060 1.00 10.00 H new ATOM 0 HD22 LEU A 83 14.164 9.003 2.623 1.00 10.00 H new ATOM 0 HD23 LEU A 83 13.622 8.656 4.282 1.00 10.00 H new ATOM 1000 N PRO A 84 12.903 13.121 4.158 1.00 10.00 N ATOM 1001 CA PRO A 84 12.778 14.582 4.145 1.00 10.00 C ATOM 1002 C PRO A 84 11.667 15.048 3.212 1.00 10.00 C ATOM 1003 O PRO A 84 10.964 16.019 3.495 1.00 10.00 O ATOM 1004 CB PRO A 84 14.144 15.070 3.644 1.00 10.00 C ATOM 1005 CG PRO A 84 14.804 13.871 3.047 1.00 10.00 C ATOM 1006 CD PRO A 84 14.257 12.686 3.788 1.00 10.00 C ATOM 0 HA PRO A 84 12.518 14.976 5.128 1.00 10.00 H new ATOM 0 HB2 PRO A 84 14.030 15.863 2.905 1.00 10.00 H new ATOM 0 HB3 PRO A 84 14.738 15.478 4.461 1.00 10.00 H new ATOM 0 HG2 PRO A 84 14.589 13.798 1.981 1.00 10.00 H new ATOM 0 HG3 PRO A 84 15.887 13.930 3.151 1.00 10.00 H new ATOM 0 HD2 PRO A 84 14.237 11.794 3.163 1.00 10.00 H new ATOM 0 HD3 PRO A 84 14.858 12.447 4.666 1.00 10.00 H new ATOM 1014 N SER A 85 11.508 14.341 2.103 1.00 10.00 N ATOM 1015 CA SER A 85 10.482 14.660 1.125 1.00 10.00 C ATOM 1016 C SER A 85 10.052 13.393 0.390 1.00 10.00 C ATOM 1017 O SER A 85 10.805 12.422 0.332 1.00 10.00 O ATOM 1018 CB SER A 85 11.001 15.699 0.126 1.00 10.00 C ATOM 1019 OG SER A 85 11.457 16.867 0.792 1.00 10.00 O ATOM 0 H SER A 85 12.083 13.535 1.858 1.00 10.00 H new ATOM 0 HA SER A 85 9.620 15.079 1.645 1.00 10.00 H new ATOM 0 HB2 SER A 85 11.814 15.270 -0.460 1.00 10.00 H new ATOM 0 HB3 SER A 85 10.208 15.962 -0.574 1.00 10.00 H new ATOM 0 HG SER A 85 11.784 17.513 0.132 1.00 10.00 H new ATOM 1025 N ASP A 86 8.840 13.402 -0.150 1.00 10.00 N ATOM 1026 CA ASP A 86 8.322 12.258 -0.889 1.00 10.00 C ATOM 1027 C ASP A 86 8.932 12.233 -2.287 1.00 10.00 C ATOM 1028 O ASP A 86 8.956 13.254 -2.978 1.00 10.00 O ATOM 1029 CB ASP A 86 6.796 12.326 -0.967 1.00 10.00 C ATOM 1030 CG ASP A 86 6.176 11.117 -1.646 1.00 10.00 C ATOM 1031 OD1 ASP A 86 6.789 10.026 -1.624 1.00 10.00 O ATOM 1032 OD2 ASP A 86 5.059 11.257 -2.191 1.00 10.00 O ATOM 0 H ASP A 86 8.196 14.191 -0.090 1.00 10.00 H new ATOM 0 HA ASP A 86 8.596 11.340 -0.369 1.00 10.00 H new ATOM 0 HB2 ASP A 86 6.391 12.416 0.041 1.00 10.00 H new ATOM 0 HB3 ASP A 86 6.506 13.227 -1.508 1.00 10.00 H new ATOM 1037 N TYR A 87 9.442 11.080 -2.688 1.00 10.00 N ATOM 1038 CA TYR A 87 10.070 10.940 -3.992 1.00 10.00 C ATOM 1039 C TYR A 87 9.166 10.193 -4.966 1.00 10.00 C ATOM 1040 O TYR A 87 8.498 9.226 -4.598 1.00 10.00 O ATOM 1041 CB TYR A 87 11.413 10.216 -3.856 1.00 10.00 C ATOM 1042 CG TYR A 87 12.381 10.910 -2.925 1.00 10.00 C ATOM 1043 CD1 TYR A 87 13.061 12.054 -3.323 1.00 10.00 C ATOM 1044 CD2 TYR A 87 12.619 10.418 -1.650 1.00 10.00 C ATOM 1045 CE1 TYR A 87 13.947 12.689 -2.473 1.00 10.00 C ATOM 1046 CE2 TYR A 87 13.502 11.048 -0.793 1.00 10.00 C ATOM 1047 CZ TYR A 87 14.165 12.181 -1.211 1.00 10.00 C ATOM 1048 OH TYR A 87 15.047 12.810 -0.361 1.00 10.00 O ATOM 0 H TYR A 87 9.434 10.227 -2.129 1.00 10.00 H new ATOM 0 HA TYR A 87 10.241 11.939 -4.392 1.00 10.00 H new ATOM 0 HB2 TYR A 87 11.236 9.203 -3.494 1.00 10.00 H new ATOM 0 HB3 TYR A 87 11.870 10.127 -4.842 1.00 10.00 H new ATOM 0 HD1 TYR A 87 12.895 12.454 -4.312 1.00 10.00 H new ATOM 0 HD2 TYR A 87 12.105 9.527 -1.321 1.00 10.00 H new ATOM 0 HE1 TYR A 87 14.466 13.579 -2.797 1.00 10.00 H new ATOM 0 HE2 TYR A 87 13.671 10.654 0.198 1.00 10.00 H new ATOM 0 HH TYR A 87 15.062 13.770 -0.557 1.00 10.00 H new ATOM 1058 N THR A 88 9.150 10.656 -6.206 1.00 10.00 N ATOM 1059 CA THR A 88 8.343 10.049 -7.249 1.00 10.00 C ATOM 1060 C THR A 88 9.052 8.821 -7.823 1.00 10.00 C ATOM 1061 O THR A 88 10.284 8.763 -7.834 1.00 10.00 O ATOM 1062 CB THR A 88 8.073 11.071 -8.372 1.00 10.00 C ATOM 1063 OG1 THR A 88 7.822 12.362 -7.799 1.00 10.00 O ATOM 1064 CG2 THR A 88 6.885 10.657 -9.221 1.00 10.00 C ATOM 0 H THR A 88 9.695 11.461 -6.516 1.00 10.00 H new ATOM 0 HA THR A 88 7.393 9.736 -6.816 1.00 10.00 H new ATOM 0 HB THR A 88 8.954 11.111 -9.012 1.00 10.00 H new ATOM 0 HG1 THR A 88 7.652 13.010 -8.514 1.00 10.00 H new ATOM 0 HG21 THR A 88 6.721 11.398 -10.003 1.00 10.00 H new ATOM 0 HG22 THR A 88 7.084 9.687 -9.676 1.00 10.00 H new ATOM 0 HG23 THR A 88 5.996 10.588 -8.594 1.00 10.00 H new ATOM 1072 N LEU A 89 8.275 7.835 -8.270 1.00 10.00 N ATOM 1073 CA LEU A 89 8.821 6.617 -8.848 1.00 10.00 C ATOM 1074 C LEU A 89 9.759 6.940 -10.007 1.00 10.00 C ATOM 1075 O LEU A 89 9.329 7.441 -11.048 1.00 10.00 O ATOM 1076 CB LEU A 89 7.680 5.719 -9.329 1.00 10.00 C ATOM 1077 CG LEU A 89 7.124 4.727 -8.295 1.00 10.00 C ATOM 1078 CD1 LEU A 89 7.470 5.134 -6.871 1.00 10.00 C ATOM 1079 CD2 LEU A 89 5.617 4.588 -8.447 1.00 10.00 C ATOM 0 H LEU A 89 7.256 7.861 -8.240 1.00 10.00 H new ATOM 0 HA LEU A 89 9.394 6.094 -8.082 1.00 10.00 H new ATOM 0 HB2 LEU A 89 6.863 6.354 -9.670 1.00 10.00 H new ATOM 0 HB3 LEU A 89 8.028 5.155 -10.194 1.00 10.00 H new ATOM 0 HG LEU A 89 7.595 3.763 -8.487 1.00 10.00 H new ATOM 0 HD11 LEU A 89 7.057 4.405 -6.174 1.00 10.00 H new ATOM 0 HD12 LEU A 89 8.553 5.173 -6.757 1.00 10.00 H new ATOM 0 HD13 LEU A 89 7.048 6.117 -6.661 1.00 10.00 H new ATOM 0 HD21 LEU A 89 5.240 3.882 -7.707 1.00 10.00 H new ATOM 0 HD22 LEU A 89 5.145 5.559 -8.295 1.00 10.00 H new ATOM 0 HD23 LEU A 89 5.384 4.224 -9.448 1.00 10.00 H new ATOM 1091 N ILE A 90 11.043 6.658 -9.809 1.00 10.00 N ATOM 1092 CA ILE A 90 12.060 6.922 -10.821 1.00 10.00 C ATOM 1093 C ILE A 90 11.856 6.066 -12.069 1.00 10.00 C ATOM 1094 O ILE A 90 12.091 6.521 -13.188 1.00 10.00 O ATOM 1095 CB ILE A 90 13.483 6.685 -10.270 1.00 10.00 C ATOM 1096 CG1 ILE A 90 13.547 5.374 -9.480 1.00 10.00 C ATOM 1097 CG2 ILE A 90 13.919 7.855 -9.402 1.00 10.00 C ATOM 1098 CD1 ILE A 90 14.948 4.980 -9.065 1.00 10.00 C ATOM 0 H ILE A 90 11.406 6.244 -8.950 1.00 10.00 H new ATOM 0 HA ILE A 90 11.954 7.972 -11.095 1.00 10.00 H new ATOM 0 HB ILE A 90 14.169 6.607 -11.114 1.00 10.00 H new ATOM 0 HG12 ILE A 90 12.926 5.467 -8.589 1.00 10.00 H new ATOM 0 HG13 ILE A 90 13.119 4.575 -10.085 1.00 10.00 H new ATOM 0 HG21 ILE A 90 14.924 7.671 -9.022 1.00 10.00 H new ATOM 0 HG22 ILE A 90 13.917 8.769 -9.996 1.00 10.00 H new ATOM 0 HG23 ILE A 90 13.229 7.964 -8.565 1.00 10.00 H new ATOM 0 HD11 ILE A 90 14.913 4.042 -8.510 1.00 10.00 H new ATOM 0 HD12 ILE A 90 15.568 4.854 -9.952 1.00 10.00 H new ATOM 0 HD13 ILE A 90 15.373 5.760 -8.433 1.00 10.00 H new ATOM 1110 N GLY A 91 11.422 4.828 -11.877 1.00 10.00 N ATOM 1111 CA GLY A 91 11.201 3.944 -13.007 1.00 10.00 C ATOM 1112 C GLY A 91 11.433 2.478 -12.679 1.00 10.00 C ATOM 1113 O GLY A 91 10.476 1.713 -12.588 1.00 10.00 O ATOM 0 H GLY A 91 11.219 4.420 -10.964 1.00 10.00 H new ATOM 0 HA2 GLY A 91 10.179 4.072 -13.365 1.00 10.00 H new ATOM 0 HA3 GLY A 91 11.863 4.236 -13.822 1.00 10.00 H new ATOM 1117 N PRO A 92 12.703 2.063 -12.481 1.00 10.00 N ATOM 1118 CA PRO A 92 13.072 0.665 -12.166 1.00 10.00 C ATOM 1119 C PRO A 92 12.277 0.062 -11.005 1.00 10.00 C ATOM 1120 O PRO A 92 12.238 -1.155 -10.834 1.00 10.00 O ATOM 1121 CB PRO A 92 14.562 0.751 -11.792 1.00 10.00 C ATOM 1122 CG PRO A 92 14.870 2.207 -11.677 1.00 10.00 C ATOM 1123 CD PRO A 92 13.898 2.913 -12.572 1.00 10.00 C ATOM 0 HA PRO A 92 12.857 0.013 -13.013 1.00 10.00 H new ATOM 0 HB2 PRO A 92 14.760 0.234 -10.853 1.00 10.00 H new ATOM 0 HB3 PRO A 92 15.184 0.279 -12.553 1.00 10.00 H new ATOM 0 HG2 PRO A 92 14.767 2.546 -10.646 1.00 10.00 H new ATOM 0 HG3 PRO A 92 15.897 2.412 -11.979 1.00 10.00 H new ATOM 0 HD2 PRO A 92 13.699 3.930 -12.233 1.00 10.00 H new ATOM 0 HD3 PRO A 92 14.267 2.985 -13.595 1.00 10.00 H new ATOM 1131 N VAL A 93 11.653 0.920 -10.209 1.00 10.00 N ATOM 1132 CA VAL A 93 10.852 0.476 -9.072 1.00 10.00 C ATOM 1133 C VAL A 93 9.694 -0.403 -9.533 1.00 10.00 C ATOM 1134 O VAL A 93 9.339 -1.382 -8.878 1.00 10.00 O ATOM 1135 CB VAL A 93 10.274 1.669 -8.281 1.00 10.00 C ATOM 1136 CG1 VAL A 93 10.213 1.350 -6.794 1.00 10.00 C ATOM 1137 CG2 VAL A 93 11.081 2.932 -8.535 1.00 10.00 C ATOM 0 H VAL A 93 11.685 1.932 -10.329 1.00 10.00 H new ATOM 0 HA VAL A 93 11.518 -0.094 -8.424 1.00 10.00 H new ATOM 0 HB VAL A 93 9.257 1.847 -8.631 1.00 10.00 H new ATOM 0 HG11 VAL A 93 9.803 2.204 -6.255 1.00 10.00 H new ATOM 0 HG12 VAL A 93 9.576 0.480 -6.634 1.00 10.00 H new ATOM 0 HG13 VAL A 93 11.217 1.137 -6.426 1.00 10.00 H new ATOM 0 HG21 VAL A 93 10.653 3.758 -7.966 1.00 10.00 H new ATOM 0 HG22 VAL A 93 12.113 2.773 -8.223 1.00 10.00 H new ATOM 0 HG23 VAL A 93 11.056 3.172 -9.598 1.00 10.00 H new ATOM 1147 N SER A 94 9.118 -0.053 -10.674 1.00 10.00 N ATOM 1148 CA SER A 94 7.996 -0.797 -11.228 1.00 10.00 C ATOM 1149 C SER A 94 8.440 -2.154 -11.778 1.00 10.00 C ATOM 1150 O SER A 94 7.612 -2.991 -12.134 1.00 10.00 O ATOM 1151 CB SER A 94 7.328 0.027 -12.327 1.00 10.00 C ATOM 1152 OG SER A 94 7.611 1.410 -12.170 1.00 10.00 O ATOM 0 H SER A 94 9.411 0.746 -11.237 1.00 10.00 H new ATOM 0 HA SER A 94 7.281 -0.985 -10.427 1.00 10.00 H new ATOM 0 HB2 SER A 94 7.677 -0.311 -13.303 1.00 10.00 H new ATOM 0 HB3 SER A 94 6.250 -0.132 -12.302 1.00 10.00 H new ATOM 0 HG SER A 94 7.174 1.917 -12.886 1.00 10.00 H new ATOM 1158 N ALA A 95 9.749 -2.367 -11.845 1.00 10.00 N ATOM 1159 CA ALA A 95 10.293 -3.624 -12.341 1.00 10.00 C ATOM 1160 C ALA A 95 10.523 -4.598 -11.192 1.00 10.00 C ATOM 1161 O ALA A 95 10.965 -5.727 -11.394 1.00 10.00 O ATOM 1162 CB ALA A 95 11.591 -3.380 -13.097 1.00 10.00 C ATOM 0 H ALA A 95 10.453 -1.685 -11.562 1.00 10.00 H new ATOM 0 HA ALA A 95 9.570 -4.065 -13.027 1.00 10.00 H new ATOM 0 HB1 ALA A 95 11.984 -4.329 -13.461 1.00 10.00 H new ATOM 0 HB2 ALA A 95 11.401 -2.718 -13.942 1.00 10.00 H new ATOM 0 HB3 ALA A 95 12.319 -2.917 -12.430 1.00 10.00 H new ATOM 1168 N ILE A 96 10.221 -4.150 -9.983 1.00 10.00 N ATOM 1169 CA ILE A 96 10.385 -4.967 -8.797 1.00 10.00 C ATOM 1170 C ILE A 96 9.039 -5.542 -8.386 1.00 10.00 C ATOM 1171 O ILE A 96 8.108 -4.804 -8.075 1.00 10.00 O ATOM 1172 CB ILE A 96 10.987 -4.150 -7.632 1.00 10.00 C ATOM 1173 CG1 ILE A 96 12.340 -3.569 -8.052 1.00 10.00 C ATOM 1174 CG2 ILE A 96 11.134 -5.011 -6.381 1.00 10.00 C ATOM 1175 CD1 ILE A 96 12.818 -2.427 -7.181 1.00 10.00 C ATOM 0 H ILE A 96 9.858 -3.215 -9.800 1.00 10.00 H new ATOM 0 HA ILE A 96 11.076 -5.777 -9.031 1.00 10.00 H new ATOM 0 HB ILE A 96 10.309 -3.331 -7.393 1.00 10.00 H new ATOM 0 HG12 ILE A 96 13.086 -4.363 -8.033 1.00 10.00 H new ATOM 0 HG13 ILE A 96 12.270 -3.221 -9.083 1.00 10.00 H new ATOM 0 HG21 ILE A 96 11.560 -4.413 -5.576 1.00 10.00 H new ATOM 0 HG22 ILE A 96 10.155 -5.383 -6.078 1.00 10.00 H new ATOM 0 HG23 ILE A 96 11.792 -5.853 -6.594 1.00 10.00 H new ATOM 0 HD11 ILE A 96 13.782 -2.071 -7.544 1.00 10.00 H new ATOM 0 HD12 ILE A 96 12.094 -1.613 -7.218 1.00 10.00 H new ATOM 0 HD13 ILE A 96 12.923 -2.773 -6.153 1.00 10.00 H new ATOM 1187 N SER A 97 8.932 -6.855 -8.433 1.00 10.00 N ATOM 1188 CA SER A 97 7.698 -7.535 -8.078 1.00 10.00 C ATOM 1189 C SER A 97 7.992 -8.837 -7.339 1.00 10.00 C ATOM 1190 O SER A 97 8.246 -9.873 -7.957 1.00 10.00 O ATOM 1191 CB SER A 97 6.881 -7.816 -9.339 1.00 10.00 C ATOM 1192 OG SER A 97 6.999 -6.746 -10.268 1.00 10.00 O ATOM 0 H SER A 97 9.689 -7.478 -8.715 1.00 10.00 H new ATOM 0 HA SER A 97 7.122 -6.889 -7.415 1.00 10.00 H new ATOM 0 HB2 SER A 97 7.223 -8.743 -9.800 1.00 10.00 H new ATOM 0 HB3 SER A 97 5.833 -7.959 -9.074 1.00 10.00 H new ATOM 0 HG SER A 97 6.470 -6.947 -11.068 1.00 10.00 H new ATOM 1198 N THR A 98 7.970 -8.775 -6.017 1.00 10.00 N ATOM 1199 CA THR A 98 8.230 -9.946 -5.198 1.00 10.00 C ATOM 1200 C THR A 98 7.153 -10.100 -4.133 1.00 10.00 C ATOM 1201 O THR A 98 6.509 -9.128 -3.741 1.00 10.00 O ATOM 1202 CB THR A 98 9.618 -9.869 -4.528 1.00 10.00 C ATOM 1203 OG1 THR A 98 9.901 -11.087 -3.824 1.00 10.00 O ATOM 1204 CG2 THR A 98 9.688 -8.694 -3.567 1.00 10.00 C ATOM 0 H THR A 98 7.774 -7.925 -5.489 1.00 10.00 H new ATOM 0 HA THR A 98 8.215 -10.816 -5.855 1.00 10.00 H new ATOM 0 HB THR A 98 10.363 -9.727 -5.310 1.00 10.00 H new ATOM 0 HG1 THR A 98 10.788 -11.415 -4.082 1.00 10.00 H new ATOM 0 HG21 THR A 98 10.675 -8.659 -3.106 1.00 10.00 H new ATOM 0 HG22 THR A 98 9.509 -7.767 -4.112 1.00 10.00 H new ATOM 0 HG23 THR A 98 8.930 -8.812 -2.793 1.00 10.00 H new ATOM 1212 N THR A 99 6.948 -11.325 -3.683 1.00 10.00 N ATOM 1213 CA THR A 99 5.957 -11.610 -2.664 1.00 10.00 C ATOM 1214 C THR A 99 6.543 -11.439 -1.263 1.00 10.00 C ATOM 1215 O THR A 99 5.814 -11.377 -0.274 1.00 10.00 O ATOM 1216 CB THR A 99 5.415 -13.036 -2.834 1.00 10.00 C ATOM 1217 OG1 THR A 99 6.297 -13.793 -3.680 1.00 10.00 O ATOM 1218 CG2 THR A 99 4.029 -13.013 -3.445 1.00 10.00 C ATOM 0 H THR A 99 7.460 -12.144 -4.011 1.00 10.00 H new ATOM 0 HA THR A 99 5.139 -10.899 -2.782 1.00 10.00 H new ATOM 0 HB THR A 99 5.357 -13.502 -1.850 1.00 10.00 H new ATOM 0 HG1 THR A 99 5.949 -14.703 -3.785 1.00 10.00 H new ATOM 0 HG21 THR A 99 3.664 -14.034 -3.557 1.00 10.00 H new ATOM 0 HG22 THR A 99 3.354 -12.455 -2.796 1.00 10.00 H new ATOM 0 HG23 THR A 99 4.070 -12.533 -4.423 1.00 10.00 H new ATOM 1226 N SER A 100 7.863 -11.355 -1.188 1.00 10.00 N ATOM 1227 CA SER A 100 8.545 -11.191 0.083 1.00 10.00 C ATOM 1228 C SER A 100 8.748 -9.711 0.389 1.00 10.00 C ATOM 1229 O SER A 100 9.457 -9.009 -0.337 1.00 10.00 O ATOM 1230 CB SER A 100 9.884 -11.923 0.053 1.00 10.00 C ATOM 1231 OG SER A 100 9.723 -13.265 -0.380 1.00 10.00 O ATOM 0 H SER A 100 8.483 -11.398 -1.997 1.00 10.00 H new ATOM 0 HA SER A 100 7.930 -11.621 0.873 1.00 10.00 H new ATOM 0 HB2 SER A 100 10.572 -11.403 -0.614 1.00 10.00 H new ATOM 0 HB3 SER A 100 10.332 -11.909 1.047 1.00 10.00 H new ATOM 0 HG SER A 100 10.595 -13.712 -0.392 1.00 10.00 H new ATOM 1237 N VAL A 101 8.121 -9.241 1.458 1.00 10.00 N ATOM 1238 CA VAL A 101 8.218 -7.844 1.858 1.00 10.00 C ATOM 1239 C VAL A 101 9.664 -7.453 2.170 1.00 10.00 C ATOM 1240 O VAL A 101 10.097 -6.343 1.853 1.00 10.00 O ATOM 1241 CB VAL A 101 7.303 -7.543 3.070 1.00 10.00 C ATOM 1242 CG1 VAL A 101 7.676 -8.391 4.277 1.00 10.00 C ATOM 1243 CG2 VAL A 101 7.340 -6.062 3.409 1.00 10.00 C ATOM 0 H VAL A 101 7.535 -9.811 2.068 1.00 10.00 H new ATOM 0 HA VAL A 101 7.878 -7.242 1.016 1.00 10.00 H new ATOM 0 HB VAL A 101 6.282 -7.807 2.793 1.00 10.00 H new ATOM 0 HG11 VAL A 101 7.013 -8.152 5.108 1.00 10.00 H new ATOM 0 HG12 VAL A 101 7.576 -9.447 4.025 1.00 10.00 H new ATOM 0 HG13 VAL A 101 8.707 -8.182 4.564 1.00 10.00 H new ATOM 0 HG21 VAL A 101 6.691 -5.868 4.263 1.00 10.00 H new ATOM 0 HG22 VAL A 101 8.361 -5.770 3.655 1.00 10.00 H new ATOM 0 HG23 VAL A 101 6.994 -5.484 2.552 1.00 10.00 H new ATOM 1253 N GLN A 102 10.416 -8.375 2.760 1.00 10.00 N ATOM 1254 CA GLN A 102 11.808 -8.115 3.091 1.00 10.00 C ATOM 1255 C GLN A 102 12.627 -7.978 1.815 1.00 10.00 C ATOM 1256 O GLN A 102 13.525 -7.141 1.722 1.00 10.00 O ATOM 1257 CB GLN A 102 12.374 -9.236 3.962 1.00 10.00 C ATOM 1258 CG GLN A 102 11.927 -9.169 5.413 1.00 10.00 C ATOM 1259 CD GLN A 102 12.548 -10.256 6.268 1.00 10.00 C ATOM 1260 OE1 GLN A 102 13.753 -10.676 5.911 1.00 10.00 O flip ATOM 1261 NE2 GLN A 102 11.947 -10.714 7.243 1.00 10.00 N flip ATOM 0 H GLN A 102 10.085 -9.305 3.017 1.00 10.00 H new ATOM 0 HA GLN A 102 11.863 -7.183 3.653 1.00 10.00 H new ATOM 0 HB2 GLN A 102 12.074 -10.196 3.543 1.00 10.00 H new ATOM 0 HB3 GLN A 102 13.463 -9.198 3.925 1.00 10.00 H new ATOM 0 HG2 GLN A 102 12.189 -8.194 5.825 1.00 10.00 H new ATOM 0 HG3 GLN A 102 10.841 -9.253 5.459 1.00 10.00 H new ATOM 0 HE21 GLN A 102 11.020 -10.362 7.483 1.00 10.00 H new ATOM 0 HE22 GLN A 102 12.377 -11.445 7.810 1.00 10.00 H new ATOM 1270 N GLN A 103 12.297 -8.798 0.826 1.00 10.00 N ATOM 1271 CA GLN A 103 12.986 -8.771 -0.455 1.00 10.00 C ATOM 1272 C GLN A 103 12.687 -7.465 -1.176 1.00 10.00 C ATOM 1273 O GLN A 103 13.579 -6.840 -1.745 1.00 10.00 O ATOM 1274 CB GLN A 103 12.548 -9.955 -1.311 1.00 10.00 C ATOM 1275 CG GLN A 103 13.344 -10.115 -2.591 1.00 10.00 C ATOM 1276 CD GLN A 103 14.745 -10.628 -2.342 1.00 10.00 C ATOM 1277 OE1 GLN A 103 15.694 -9.852 -2.212 1.00 10.00 O ATOM 1278 NE2 GLN A 103 14.883 -11.938 -2.254 1.00 10.00 N ATOM 0 H GLN A 103 11.553 -9.493 0.888 1.00 10.00 H new ATOM 0 HA GLN A 103 14.060 -8.842 -0.282 1.00 10.00 H new ATOM 0 HB2 GLN A 103 12.637 -10.868 -0.723 1.00 10.00 H new ATOM 0 HB3 GLN A 103 11.494 -9.839 -1.562 1.00 10.00 H new ATOM 0 HG2 GLN A 103 12.822 -10.803 -3.256 1.00 10.00 H new ATOM 0 HG3 GLN A 103 13.398 -9.155 -3.104 1.00 10.00 H new ATOM 0 HE21 GLN A 103 14.071 -12.545 -2.368 1.00 10.00 H new ATOM 0 HE22 GLN A 103 15.801 -12.343 -2.072 1.00 10.00 H new ATOM 1287 N ALA A 104 11.425 -7.061 -1.127 1.00 10.00 N ATOM 1288 CA ALA A 104 10.986 -5.821 -1.754 1.00 10.00 C ATOM 1289 C ALA A 104 11.770 -4.643 -1.201 1.00 10.00 C ATOM 1290 O ALA A 104 12.288 -3.816 -1.953 1.00 10.00 O ATOM 1291 CB ALA A 104 9.495 -5.620 -1.536 1.00 10.00 C ATOM 0 H ALA A 104 10.682 -7.578 -0.656 1.00 10.00 H new ATOM 0 HA ALA A 104 11.173 -5.886 -2.826 1.00 10.00 H new ATOM 0 HB1 ALA A 104 9.180 -4.690 -2.009 1.00 10.00 H new ATOM 0 HB2 ALA A 104 8.947 -6.454 -1.975 1.00 10.00 H new ATOM 0 HB3 ALA A 104 9.287 -5.572 -0.467 1.00 10.00 H new ATOM 1297 N ALA A 105 11.873 -4.588 0.122 1.00 10.00 N ATOM 1298 CA ALA A 105 12.610 -3.527 0.787 1.00 10.00 C ATOM 1299 C ALA A 105 14.086 -3.584 0.408 1.00 10.00 C ATOM 1300 O ALA A 105 14.751 -2.558 0.277 1.00 10.00 O ATOM 1301 CB ALA A 105 12.441 -3.640 2.293 1.00 10.00 C ATOM 0 H ALA A 105 11.453 -5.269 0.754 1.00 10.00 H new ATOM 0 HA ALA A 105 12.211 -2.566 0.462 1.00 10.00 H new ATOM 0 HB1 ALA A 105 12.997 -2.840 2.783 1.00 10.00 H new ATOM 0 HB2 ALA A 105 11.385 -3.556 2.548 1.00 10.00 H new ATOM 0 HB3 ALA A 105 12.820 -4.605 2.630 1.00 10.00 H new ATOM 1307 N THR A 106 14.582 -4.795 0.208 1.00 10.00 N ATOM 1308 CA THR A 106 15.969 -5.013 -0.163 1.00 10.00 C ATOM 1309 C THR A 106 16.246 -4.505 -1.578 1.00 10.00 C ATOM 1310 O THR A 106 17.183 -3.734 -1.800 1.00 10.00 O ATOM 1311 CB THR A 106 16.323 -6.513 -0.068 1.00 10.00 C ATOM 1312 OG1 THR A 106 16.186 -6.962 1.289 1.00 10.00 O ATOM 1313 CG2 THR A 106 17.738 -6.785 -0.555 1.00 10.00 C ATOM 0 H THR A 106 14.035 -5.651 0.298 1.00 10.00 H new ATOM 0 HA THR A 106 16.593 -4.453 0.534 1.00 10.00 H new ATOM 0 HB THR A 106 15.633 -7.060 -0.710 1.00 10.00 H new ATOM 0 HG1 THR A 106 15.251 -7.199 1.462 1.00 10.00 H new ATOM 0 HG21 THR A 106 17.952 -7.851 -0.474 1.00 10.00 H new ATOM 0 HG22 THR A 106 17.831 -6.475 -1.596 1.00 10.00 H new ATOM 0 HG23 THR A 106 18.447 -6.225 0.055 1.00 10.00 H new ATOM 1321 N GLU A 107 15.413 -4.924 -2.524 1.00 10.00 N ATOM 1322 CA GLU A 107 15.565 -4.531 -3.921 1.00 10.00 C ATOM 1323 C GLU A 107 15.379 -3.027 -4.097 1.00 10.00 C ATOM 1324 O GLU A 107 16.106 -2.389 -4.862 1.00 10.00 O ATOM 1325 CB GLU A 107 14.569 -5.295 -4.794 1.00 10.00 C ATOM 1326 CG GLU A 107 14.818 -6.795 -4.817 1.00 10.00 C ATOM 1327 CD GLU A 107 14.750 -7.378 -6.213 1.00 10.00 C ATOM 1328 OE1 GLU A 107 15.790 -7.389 -6.904 1.00 10.00 O ATOM 1329 OE2 GLU A 107 13.665 -7.843 -6.622 1.00 10.00 O ATOM 0 H GLU A 107 14.620 -5.540 -2.347 1.00 10.00 H new ATOM 0 HA GLU A 107 16.579 -4.781 -4.234 1.00 10.00 H new ATOM 0 HB2 GLU A 107 13.559 -5.107 -4.431 1.00 10.00 H new ATOM 0 HB3 GLU A 107 14.619 -4.910 -5.812 1.00 10.00 H new ATOM 0 HG2 GLU A 107 15.798 -7.003 -4.388 1.00 10.00 H new ATOM 0 HG3 GLU A 107 14.082 -7.291 -4.184 1.00 10.00 H new ATOM 1336 N LEU A 108 14.404 -2.463 -3.395 1.00 10.00 N ATOM 1337 CA LEU A 108 14.148 -1.031 -3.472 1.00 10.00 C ATOM 1338 C LEU A 108 15.343 -0.246 -2.946 1.00 10.00 C ATOM 1339 O LEU A 108 15.821 0.669 -3.602 1.00 10.00 O ATOM 1340 CB LEU A 108 12.901 -0.660 -2.670 1.00 10.00 C ATOM 1341 CG LEU A 108 11.666 -0.299 -3.495 1.00 10.00 C ATOM 1342 CD1 LEU A 108 11.074 -1.541 -4.140 1.00 10.00 C ATOM 1343 CD2 LEU A 108 10.636 0.396 -2.618 1.00 10.00 C ATOM 0 H LEU A 108 13.781 -2.973 -2.769 1.00 10.00 H new ATOM 0 HA LEU A 108 13.984 -0.776 -4.519 1.00 10.00 H new ATOM 0 HB2 LEU A 108 12.648 -1.496 -2.018 1.00 10.00 H new ATOM 0 HB3 LEU A 108 13.144 0.184 -2.025 1.00 10.00 H new ATOM 0 HG LEU A 108 11.963 0.386 -4.289 1.00 10.00 H new ATOM 0 HD11 LEU A 108 10.196 -1.265 -4.723 1.00 10.00 H new ATOM 0 HD12 LEU A 108 11.815 -1.999 -4.795 1.00 10.00 H new ATOM 0 HD13 LEU A 108 10.786 -2.251 -3.365 1.00 10.00 H new ATOM 0 HD21 LEU A 108 9.760 0.649 -3.216 1.00 10.00 H new ATOM 0 HD22 LEU A 108 10.341 -0.269 -1.806 1.00 10.00 H new ATOM 0 HD23 LEU A 108 11.067 1.307 -2.203 1.00 10.00 H new ATOM 1355 N SER A 109 15.834 -0.617 -1.770 1.00 10.00 N ATOM 1356 CA SER A 109 16.977 0.066 -1.170 1.00 10.00 C ATOM 1357 C SER A 109 18.219 -0.046 -2.048 1.00 10.00 C ATOM 1358 O SER A 109 19.066 0.840 -2.042 1.00 10.00 O ATOM 1359 CB SER A 109 17.269 -0.503 0.215 1.00 10.00 C ATOM 1360 OG SER A 109 16.123 -0.427 1.038 1.00 10.00 O ATOM 0 H SER A 109 15.461 -1.385 -1.213 1.00 10.00 H new ATOM 0 HA SER A 109 16.719 1.121 -1.079 1.00 10.00 H new ATOM 0 HB2 SER A 109 17.591 -1.541 0.127 1.00 10.00 H new ATOM 0 HB3 SER A 109 18.090 0.048 0.674 1.00 10.00 H new ATOM 0 HG SER A 109 15.551 -1.205 0.874 1.00 10.00 H new ATOM 1366 N ALA A 110 18.316 -1.127 -2.811 1.00 10.00 N ATOM 1367 CA ALA A 110 19.460 -1.335 -3.688 1.00 10.00 C ATOM 1368 C ALA A 110 19.558 -0.220 -4.723 1.00 10.00 C ATOM 1369 O ALA A 110 20.648 0.282 -5.013 1.00 10.00 O ATOM 1370 CB ALA A 110 19.371 -2.687 -4.379 1.00 10.00 C ATOM 0 H ALA A 110 17.619 -1.871 -2.840 1.00 10.00 H new ATOM 0 HA ALA A 110 20.361 -1.318 -3.074 1.00 10.00 H new ATOM 0 HB1 ALA A 110 20.236 -2.821 -5.029 1.00 10.00 H new ATOM 0 HB2 ALA A 110 19.354 -3.478 -3.630 1.00 10.00 H new ATOM 0 HB3 ALA A 110 18.459 -2.732 -4.974 1.00 10.00 H new ATOM 1376 N VAL A 111 18.416 0.159 -5.279 1.00 10.00 N ATOM 1377 CA VAL A 111 18.367 1.218 -6.278 1.00 10.00 C ATOM 1378 C VAL A 111 18.200 2.593 -5.622 1.00 10.00 C ATOM 1379 O VAL A 111 18.806 3.580 -6.039 1.00 10.00 O ATOM 1380 CB VAL A 111 17.220 0.972 -7.299 1.00 10.00 C ATOM 1381 CG1 VAL A 111 15.886 0.739 -6.606 1.00 10.00 C ATOM 1382 CG2 VAL A 111 17.114 2.119 -8.290 1.00 10.00 C ATOM 0 H VAL A 111 17.510 -0.252 -5.055 1.00 10.00 H new ATOM 0 HA VAL A 111 19.317 1.204 -6.812 1.00 10.00 H new ATOM 0 HB VAL A 111 17.470 0.064 -7.848 1.00 10.00 H new ATOM 0 HG11 VAL A 111 15.112 0.571 -7.354 1.00 10.00 H new ATOM 0 HG12 VAL A 111 15.960 -0.135 -5.958 1.00 10.00 H new ATOM 0 HG13 VAL A 111 15.629 1.613 -6.008 1.00 10.00 H new ATOM 0 HG21 VAL A 111 16.304 1.920 -8.992 1.00 10.00 H new ATOM 0 HG22 VAL A 111 16.910 3.046 -7.754 1.00 10.00 H new ATOM 0 HG23 VAL A 111 18.052 2.215 -8.837 1.00 10.00 H new ATOM 1392 N TYR A 112 17.406 2.623 -4.564 1.00 10.00 N ATOM 1393 CA TYR A 112 17.094 3.850 -3.840 1.00 10.00 C ATOM 1394 C TYR A 112 18.249 4.386 -3.002 1.00 10.00 C ATOM 1395 O TYR A 112 18.251 5.566 -2.657 1.00 10.00 O ATOM 1396 CB TYR A 112 15.852 3.647 -2.983 1.00 10.00 C ATOM 1397 CG TYR A 112 14.579 3.924 -3.747 1.00 10.00 C ATOM 1398 CD1 TYR A 112 14.519 3.710 -5.119 1.00 10.00 C ATOM 1399 CD2 TYR A 112 13.448 4.407 -3.111 1.00 10.00 C ATOM 1400 CE1 TYR A 112 13.369 3.961 -5.832 1.00 10.00 C ATOM 1401 CE2 TYR A 112 12.292 4.665 -3.819 1.00 10.00 C ATOM 1402 CZ TYR A 112 12.255 4.441 -5.178 1.00 10.00 C ATOM 1403 OH TYR A 112 11.103 4.708 -5.883 1.00 10.00 O ATOM 0 H TYR A 112 16.956 1.793 -4.179 1.00 10.00 H new ATOM 0 HA TYR A 112 16.903 4.613 -4.595 1.00 10.00 H new ATOM 0 HB2 TYR A 112 15.834 2.623 -2.610 1.00 10.00 H new ATOM 0 HB3 TYR A 112 15.902 4.303 -2.114 1.00 10.00 H new ATOM 0 HD1 TYR A 112 15.392 3.339 -5.636 1.00 10.00 H new ATOM 0 HD2 TYR A 112 13.471 4.584 -2.046 1.00 10.00 H new ATOM 0 HE1 TYR A 112 13.340 3.783 -6.897 1.00 10.00 H new ATOM 0 HE2 TYR A 112 11.418 5.042 -3.309 1.00 10.00 H new ATOM 0 HH TYR A 112 10.414 5.038 -5.270 1.00 10.00 H new ATOM 1413 N ALA A 113 19.187 3.525 -2.627 1.00 10.00 N ATOM 1414 CA ALA A 113 20.340 3.952 -1.828 1.00 10.00 C ATOM 1415 C ALA A 113 21.017 5.175 -2.444 1.00 10.00 C ATOM 1416 O ALA A 113 21.468 6.067 -1.728 1.00 10.00 O ATOM 1417 CB ALA A 113 21.348 2.823 -1.680 1.00 10.00 C ATOM 0 H ALA A 113 19.177 2.532 -2.859 1.00 10.00 H new ATOM 0 HA ALA A 113 19.969 4.223 -0.840 1.00 10.00 H new ATOM 0 HB1 ALA A 113 22.193 3.166 -1.083 1.00 10.00 H new ATOM 0 HB2 ALA A 113 20.875 1.975 -1.185 1.00 10.00 H new ATOM 0 HB3 ALA A 113 21.700 2.518 -2.666 1.00 10.00 H new ATOM 1423 N ALA A 114 21.066 5.220 -3.774 1.00 10.00 N ATOM 1424 CA ALA A 114 21.671 6.339 -4.485 1.00 10.00 C ATOM 1425 C ALA A 114 20.812 7.592 -4.341 1.00 10.00 C ATOM 1426 O ALA A 114 21.324 8.708 -4.303 1.00 10.00 O ATOM 1427 CB ALA A 114 21.855 5.988 -5.953 1.00 10.00 C ATOM 0 H ALA A 114 20.692 4.490 -4.381 1.00 10.00 H new ATOM 0 HA ALA A 114 22.649 6.542 -4.048 1.00 10.00 H new ATOM 0 HB1 ALA A 114 22.308 6.831 -6.475 1.00 10.00 H new ATOM 0 HB2 ALA A 114 22.504 5.117 -6.040 1.00 10.00 H new ATOM 0 HB3 ALA A 114 20.885 5.764 -6.398 1.00 10.00 H new ATOM 1433 N GLN A 115 19.502 7.391 -4.250 1.00 10.00 N ATOM 1434 CA GLN A 115 18.556 8.494 -4.102 1.00 10.00 C ATOM 1435 C GLN A 115 18.512 8.967 -2.653 1.00 10.00 C ATOM 1436 O GLN A 115 17.912 9.995 -2.337 1.00 10.00 O ATOM 1437 CB GLN A 115 17.153 8.058 -4.540 1.00 10.00 C ATOM 1438 CG GLN A 115 16.862 8.270 -6.019 1.00 10.00 C ATOM 1439 CD GLN A 115 17.862 7.579 -6.928 1.00 10.00 C ATOM 1440 OE1 GLN A 115 17.721 6.399 -7.240 1.00 10.00 O ATOM 1441 NE2 GLN A 115 18.877 8.311 -7.359 1.00 10.00 N ATOM 0 H GLN A 115 19.068 6.468 -4.276 1.00 10.00 H new ATOM 0 HA GLN A 115 18.890 9.315 -4.736 1.00 10.00 H new ATOM 0 HB2 GLN A 115 17.024 7.002 -4.305 1.00 10.00 H new ATOM 0 HB3 GLN A 115 16.416 8.607 -3.955 1.00 10.00 H new ATOM 0 HG2 GLN A 115 15.861 7.901 -6.243 1.00 10.00 H new ATOM 0 HG3 GLN A 115 16.863 9.339 -6.234 1.00 10.00 H new ATOM 0 HE21 GLN A 115 18.958 9.288 -7.076 1.00 10.00 H new ATOM 0 HE22 GLN A 115 19.579 7.898 -7.974 1.00 10.00 H new ATOM 1450 N GLY A 116 19.145 8.202 -1.777 1.00 10.00 N ATOM 1451 CA GLY A 116 19.174 8.542 -0.372 1.00 10.00 C ATOM 1452 C GLY A 116 18.004 7.954 0.386 1.00 10.00 C ATOM 1453 O GLY A 116 17.592 8.490 1.415 1.00 10.00 O ATOM 0 H GLY A 116 19.643 7.345 -2.018 1.00 10.00 H new ATOM 0 HA2 GLY A 116 20.105 8.184 0.067 1.00 10.00 H new ATOM 0 HA3 GLY A 116 19.167 9.626 -0.263 1.00 10.00 H new ATOM 1457 N VAL A 117 17.472 6.846 -0.110 1.00 10.00 N ATOM 1458 CA VAL A 117 16.337 6.198 0.526 1.00 10.00 C ATOM 1459 C VAL A 117 16.641 4.736 0.830 1.00 10.00 C ATOM 1460 O VAL A 117 17.110 3.995 -0.031 1.00 10.00 O ATOM 1461 CB VAL A 117 15.075 6.280 -0.360 1.00 10.00 C ATOM 1462 CG1 VAL A 117 13.896 5.585 0.301 1.00 10.00 C ATOM 1463 CG2 VAL A 117 14.735 7.727 -0.675 1.00 10.00 C ATOM 0 H VAL A 117 17.809 6.378 -0.951 1.00 10.00 H new ATOM 0 HA VAL A 117 16.149 6.728 1.460 1.00 10.00 H new ATOM 0 HB VAL A 117 15.288 5.764 -1.296 1.00 10.00 H new ATOM 0 HG11 VAL A 117 13.021 5.659 -0.345 1.00 10.00 H new ATOM 0 HG12 VAL A 117 14.138 4.535 0.466 1.00 10.00 H new ATOM 0 HG13 VAL A 117 13.682 6.062 1.257 1.00 10.00 H new ATOM 0 HG21 VAL A 117 13.843 7.763 -1.300 1.00 10.00 H new ATOM 0 HG22 VAL A 117 14.550 8.268 0.253 1.00 10.00 H new ATOM 0 HG23 VAL A 117 15.568 8.190 -1.204 1.00 10.00 H new ATOM 1473 N SER A 118 16.387 4.339 2.065 1.00 10.00 N ATOM 1474 CA SER A 118 16.608 2.972 2.497 1.00 10.00 C ATOM 1475 C SER A 118 15.333 2.435 3.144 1.00 10.00 C ATOM 1476 O SER A 118 14.916 2.911 4.199 1.00 10.00 O ATOM 1477 CB SER A 118 17.778 2.914 3.485 1.00 10.00 C ATOM 1478 OG SER A 118 18.246 1.586 3.656 1.00 10.00 O ATOM 0 H SER A 118 16.023 4.953 2.793 1.00 10.00 H new ATOM 0 HA SER A 118 16.858 2.353 1.635 1.00 10.00 H new ATOM 0 HB2 SER A 118 18.591 3.544 3.126 1.00 10.00 H new ATOM 0 HB3 SER A 118 17.464 3.317 4.448 1.00 10.00 H new ATOM 0 HG SER A 118 18.993 1.582 4.290 1.00 10.00 H new ATOM 1484 N VAL A 119 14.708 1.460 2.505 1.00 10.00 N ATOM 1485 CA VAL A 119 13.482 0.878 3.025 1.00 10.00 C ATOM 1486 C VAL A 119 13.765 -0.464 3.684 1.00 10.00 C ATOM 1487 O VAL A 119 14.520 -1.283 3.162 1.00 10.00 O ATOM 1488 CB VAL A 119 12.407 0.691 1.930 1.00 10.00 C ATOM 1489 CG1 VAL A 119 11.702 2.001 1.636 1.00 10.00 C ATOM 1490 CG2 VAL A 119 13.013 0.126 0.655 1.00 10.00 C ATOM 0 H VAL A 119 15.029 1.055 1.626 1.00 10.00 H new ATOM 0 HA VAL A 119 13.093 1.580 3.763 1.00 10.00 H new ATOM 0 HB VAL A 119 11.675 -0.023 2.307 1.00 10.00 H new ATOM 0 HG11 VAL A 119 10.950 1.844 0.862 1.00 10.00 H new ATOM 0 HG12 VAL A 119 11.219 2.366 2.543 1.00 10.00 H new ATOM 0 HG13 VAL A 119 12.429 2.736 1.291 1.00 10.00 H new ATOM 0 HG21 VAL A 119 12.233 0.006 -0.096 1.00 10.00 H new ATOM 0 HG22 VAL A 119 13.775 0.809 0.280 1.00 10.00 H new ATOM 0 HG23 VAL A 119 13.466 -0.843 0.866 1.00 10.00 H new ATOM 1500 N SER A 120 13.174 -0.672 4.843 1.00 10.00 N ATOM 1501 CA SER A 120 13.359 -1.907 5.582 1.00 10.00 C ATOM 1502 C SER A 120 12.091 -2.245 6.348 1.00 10.00 C ATOM 1503 O SER A 120 11.433 -1.361 6.877 1.00 10.00 O ATOM 1504 CB SER A 120 14.539 -1.757 6.541 1.00 10.00 C ATOM 1505 OG SER A 120 15.052 -0.433 6.489 1.00 10.00 O ATOM 0 H SER A 120 12.558 0.002 5.297 1.00 10.00 H new ATOM 0 HA SER A 120 13.571 -2.719 4.887 1.00 10.00 H new ATOM 0 HB2 SER A 120 14.222 -1.992 7.557 1.00 10.00 H new ATOM 0 HB3 SER A 120 15.322 -2.468 6.279 1.00 10.00 H new ATOM 0 HG SER A 120 15.806 -0.350 7.109 1.00 10.00 H new ATOM 1511 N VAL A 121 11.744 -3.513 6.399 1.00 10.00 N ATOM 1512 CA VAL A 121 10.550 -3.936 7.103 1.00 10.00 C ATOM 1513 C VAL A 121 10.938 -4.617 8.406 1.00 10.00 C ATOM 1514 O VAL A 121 11.732 -5.561 8.423 1.00 10.00 O ATOM 1515 CB VAL A 121 9.670 -4.864 6.235 1.00 10.00 C ATOM 1516 CG1 VAL A 121 10.493 -5.953 5.587 1.00 10.00 C ATOM 1517 CG2 VAL A 121 8.534 -5.465 7.048 1.00 10.00 C ATOM 0 H VAL A 121 12.271 -4.269 5.962 1.00 10.00 H new ATOM 0 HA VAL A 121 9.954 -3.051 7.326 1.00 10.00 H new ATOM 0 HB VAL A 121 9.235 -4.253 5.444 1.00 10.00 H new ATOM 0 HG11 VAL A 121 9.845 -6.589 4.984 1.00 10.00 H new ATOM 0 HG12 VAL A 121 11.255 -5.503 4.950 1.00 10.00 H new ATOM 0 HG13 VAL A 121 10.974 -6.554 6.359 1.00 10.00 H new ATOM 0 HG21 VAL A 121 7.933 -6.113 6.410 1.00 10.00 H new ATOM 0 HG22 VAL A 121 8.945 -6.048 7.872 1.00 10.00 H new ATOM 0 HG23 VAL A 121 7.909 -4.666 7.445 1.00 10.00 H new ATOM 1527 N SER A 122 10.406 -4.108 9.499 1.00 10.00 N ATOM 1528 CA SER A 122 10.701 -4.649 10.808 1.00 10.00 C ATOM 1529 C SER A 122 9.460 -4.623 11.695 1.00 10.00 C ATOM 1530 O SER A 122 8.851 -3.568 11.892 1.00 10.00 O ATOM 1531 CB SER A 122 11.839 -3.850 11.444 1.00 10.00 C ATOM 1532 OG SER A 122 13.022 -3.941 10.664 1.00 10.00 O ATOM 0 H SER A 122 9.764 -3.316 9.505 1.00 10.00 H new ATOM 0 HA SER A 122 11.012 -5.688 10.703 1.00 10.00 H new ATOM 0 HB2 SER A 122 11.544 -2.805 11.543 1.00 10.00 H new ATOM 0 HB3 SER A 122 12.033 -4.223 12.450 1.00 10.00 H new ATOM 0 HG SER A 122 13.735 -3.421 11.090 1.00 10.00 H new ATOM 1538 N ALA A 123 9.082 -5.799 12.200 1.00 10.00 N ATOM 1539 CA ALA A 123 7.919 -5.949 13.073 1.00 10.00 C ATOM 1540 C ALA A 123 6.632 -5.510 12.372 1.00 10.00 C ATOM 1541 O ALA A 123 5.867 -4.699 12.899 1.00 10.00 O ATOM 1542 CB ALA A 123 8.124 -5.175 14.369 1.00 10.00 C ATOM 0 H ALA A 123 9.574 -6.673 12.015 1.00 10.00 H new ATOM 0 HA ALA A 123 7.814 -7.007 13.314 1.00 10.00 H new ATOM 0 HB1 ALA A 123 7.249 -5.297 15.008 1.00 10.00 H new ATOM 0 HB2 ALA A 123 9.006 -5.556 14.885 1.00 10.00 H new ATOM 0 HB3 ALA A 123 8.264 -4.118 14.143 1.00 10.00 H new ATOM 1548 N ASN A 124 6.413 -6.051 11.171 1.00 10.00 N ATOM 1549 CA ASN A 124 5.217 -5.754 10.367 1.00 10.00 C ATOM 1550 C ASN A 124 5.077 -4.262 10.090 1.00 10.00 C ATOM 1551 O ASN A 124 3.968 -3.747 9.919 1.00 10.00 O ATOM 1552 CB ASN A 124 3.948 -6.265 11.059 1.00 10.00 C ATOM 1553 CG ASN A 124 3.562 -7.662 10.614 1.00 10.00 C ATOM 1554 OD1 ASN A 124 3.853 -8.071 9.489 1.00 10.00 O ATOM 1555 ND2 ASN A 124 2.897 -8.401 11.489 1.00 10.00 N ATOM 0 H ASN A 124 7.056 -6.706 10.726 1.00 10.00 H new ATOM 0 HA ASN A 124 5.341 -6.271 9.416 1.00 10.00 H new ATOM 0 HB2 ASN A 124 4.101 -6.261 12.138 1.00 10.00 H new ATOM 0 HB3 ASN A 124 3.125 -5.581 10.851 1.00 10.00 H new ATOM 0 HD21 ASN A 124 2.606 -9.347 11.241 1.00 10.00 H new ATOM 0 HD22 ASN A 124 2.676 -8.024 12.411 1.00 10.00 H new ATOM 1562 N LYS A 125 6.196 -3.570 10.040 1.00 10.00 N ATOM 1563 CA LYS A 125 6.197 -2.141 9.790 1.00 10.00 C ATOM 1564 C LYS A 125 7.288 -1.789 8.795 1.00 10.00 C ATOM 1565 O LYS A 125 8.425 -2.240 8.932 1.00 10.00 O ATOM 1566 CB LYS A 125 6.426 -1.387 11.103 1.00 10.00 C ATOM 1567 CG LYS A 125 6.140 0.103 11.027 1.00 10.00 C ATOM 1568 CD LYS A 125 6.467 0.781 12.349 1.00 10.00 C ATOM 1569 CE LYS A 125 5.642 2.036 12.574 1.00 10.00 C ATOM 1570 NZ LYS A 125 5.789 2.547 13.964 1.00 10.00 N ATOM 0 H LYS A 125 7.123 -3.976 10.170 1.00 10.00 H new ATOM 0 HA LYS A 125 5.232 -1.851 9.374 1.00 10.00 H new ATOM 0 HB2 LYS A 125 5.796 -1.827 11.876 1.00 10.00 H new ATOM 0 HB3 LYS A 125 7.460 -1.531 11.415 1.00 10.00 H new ATOM 0 HG2 LYS A 125 6.729 0.551 10.227 1.00 10.00 H new ATOM 0 HG3 LYS A 125 5.091 0.265 10.779 1.00 10.00 H new ATOM 0 HD2 LYS A 125 6.291 0.082 13.166 1.00 10.00 H new ATOM 0 HD3 LYS A 125 7.526 1.037 12.371 1.00 10.00 H new ATOM 0 HE2 LYS A 125 5.951 2.807 11.868 1.00 10.00 H new ATOM 0 HE3 LYS A 125 4.592 1.823 12.373 1.00 10.00 H new ATOM 0 HZ1 LYS A 125 5.212 3.404 14.082 1.00 10.00 H new ATOM 0 HZ2 LYS A 125 5.471 1.820 14.636 1.00 10.00 H new ATOM 0 HZ3 LYS A 125 6.787 2.774 14.147 1.00 10.00 H new ATOM 1584 N LEU A 126 6.942 -1.011 7.791 1.00 10.00 N ATOM 1585 CA LEU A 126 7.903 -0.590 6.794 1.00 10.00 C ATOM 1586 C LEU A 126 8.576 0.688 7.270 1.00 10.00 C ATOM 1587 O LEU A 126 7.911 1.694 7.517 1.00 10.00 O ATOM 1588 CB LEU A 126 7.207 -0.356 5.451 1.00 10.00 C ATOM 1589 CG LEU A 126 6.699 -1.614 4.742 1.00 10.00 C ATOM 1590 CD1 LEU A 126 5.640 -1.248 3.713 1.00 10.00 C ATOM 1591 CD2 LEU A 126 7.849 -2.346 4.073 1.00 10.00 C ATOM 0 H LEU A 126 5.997 -0.656 7.644 1.00 10.00 H new ATOM 0 HA LEU A 126 8.653 -1.369 6.656 1.00 10.00 H new ATOM 0 HB2 LEU A 126 6.363 0.315 5.611 1.00 10.00 H new ATOM 0 HB3 LEU A 126 7.901 0.158 4.787 1.00 10.00 H new ATOM 0 HG LEU A 126 6.252 -2.274 5.485 1.00 10.00 H new ATOM 0 HD11 LEU A 126 5.288 -2.152 3.216 1.00 10.00 H new ATOM 0 HD12 LEU A 126 4.803 -0.758 4.211 1.00 10.00 H new ATOM 0 HD13 LEU A 126 6.069 -0.572 2.974 1.00 10.00 H new ATOM 0 HD21 LEU A 126 7.471 -3.238 3.573 1.00 10.00 H new ATOM 0 HD22 LEU A 126 8.320 -1.691 3.340 1.00 10.00 H new ATOM 0 HD23 LEU A 126 8.583 -2.635 4.825 1.00 10.00 H new ATOM 1603 N LEU A 127 9.884 0.640 7.404 1.00 10.00 N ATOM 1604 CA LEU A 127 10.655 1.777 7.861 1.00 10.00 C ATOM 1605 C LEU A 127 11.435 2.378 6.716 1.00 10.00 C ATOM 1606 O LEU A 127 12.311 1.731 6.137 1.00 10.00 O ATOM 1607 CB LEU A 127 11.630 1.355 8.958 1.00 10.00 C ATOM 1608 CG LEU A 127 11.243 1.755 10.386 1.00 10.00 C ATOM 1609 CD1 LEU A 127 11.150 3.271 10.511 1.00 10.00 C ATOM 1610 CD2 LEU A 127 9.928 1.101 10.797 1.00 10.00 C ATOM 0 H LEU A 127 10.443 -0.188 7.199 1.00 10.00 H new ATOM 0 HA LEU A 127 9.961 2.518 8.258 1.00 10.00 H new ATOM 0 HB2 LEU A 127 11.741 0.271 8.922 1.00 10.00 H new ATOM 0 HB3 LEU A 127 12.607 1.783 8.733 1.00 10.00 H new ATOM 0 HG LEU A 127 12.023 1.401 11.060 1.00 10.00 H new ATOM 0 HD11 LEU A 127 10.874 3.536 11.532 1.00 10.00 H new ATOM 0 HD12 LEU A 127 12.115 3.716 10.269 1.00 10.00 H new ATOM 0 HD13 LEU A 127 10.394 3.647 9.822 1.00 10.00 H new ATOM 0 HD21 LEU A 127 9.675 1.400 11.814 1.00 10.00 H new ATOM 0 HD22 LEU A 127 9.136 1.418 10.118 1.00 10.00 H new ATOM 0 HD23 LEU A 127 10.032 0.017 10.753 1.00 10.00 H new ATOM 1622 N VAL A 128 11.104 3.602 6.371 1.00 10.00 N ATOM 1623 CA VAL A 128 11.814 4.290 5.318 1.00 10.00 C ATOM 1624 C VAL A 128 12.800 5.240 5.967 1.00 10.00 C ATOM 1625 O VAL A 128 12.401 6.188 6.642 1.00 10.00 O ATOM 1626 CB VAL A 128 10.859 5.076 4.398 1.00 10.00 C ATOM 1627 CG1 VAL A 128 11.490 5.311 3.038 1.00 10.00 C ATOM 1628 CG2 VAL A 128 9.531 4.350 4.250 1.00 10.00 C ATOM 0 H VAL A 128 10.351 4.139 6.802 1.00 10.00 H new ATOM 0 HA VAL A 128 12.325 3.556 4.695 1.00 10.00 H new ATOM 0 HB VAL A 128 10.670 6.045 4.860 1.00 10.00 H new ATOM 0 HG11 VAL A 128 10.797 5.867 2.407 1.00 10.00 H new ATOM 0 HG12 VAL A 128 12.411 5.882 3.158 1.00 10.00 H new ATOM 0 HG13 VAL A 128 11.716 4.352 2.571 1.00 10.00 H new ATOM 0 HG21 VAL A 128 8.874 4.924 3.597 1.00 10.00 H new ATOM 0 HG22 VAL A 128 9.702 3.364 3.818 1.00 10.00 H new ATOM 0 HG23 VAL A 128 9.065 4.241 5.229 1.00 10.00 H new ATOM 1638 N GLN A 129 14.077 5.007 5.740 1.00 10.00 N ATOM 1639 CA GLN A 129 15.118 5.816 6.348 1.00 10.00 C ATOM 1640 C GLN A 129 16.007 6.443 5.287 1.00 10.00 C ATOM 1641 O GLN A 129 16.447 5.769 4.360 1.00 10.00 O ATOM 1642 CB GLN A 129 15.965 4.945 7.288 1.00 10.00 C ATOM 1643 CG GLN A 129 15.142 4.108 8.260 1.00 10.00 C ATOM 1644 CD GLN A 129 14.675 4.907 9.461 1.00 10.00 C ATOM 1645 OE1 GLN A 129 13.653 5.590 9.409 1.00 10.00 O ATOM 1646 NE2 GLN A 129 15.412 4.821 10.556 1.00 10.00 N ATOM 0 H GLN A 129 14.422 4.261 5.136 1.00 10.00 H new ATOM 0 HA GLN A 129 14.646 6.617 6.917 1.00 10.00 H new ATOM 0 HB2 GLN A 129 16.589 4.281 6.689 1.00 10.00 H new ATOM 0 HB3 GLN A 129 16.638 5.588 7.856 1.00 10.00 H new ATOM 0 HG2 GLN A 129 14.276 3.700 7.740 1.00 10.00 H new ATOM 0 HG3 GLN A 129 15.738 3.261 8.600 1.00 10.00 H new ATOM 0 HE21 GLN A 129 16.253 4.244 10.561 1.00 10.00 H new ATOM 0 HE22 GLN A 129 15.139 5.332 11.396 1.00 10.00 H new ATOM 1655 N PRO A 130 16.262 7.749 5.388 1.00 10.00 N ATOM 1656 CA PRO A 130 17.121 8.445 4.442 1.00 10.00 C ATOM 1657 C PRO A 130 18.592 8.205 4.744 1.00 10.00 C ATOM 1658 O PRO A 130 19.032 8.322 5.888 1.00 10.00 O ATOM 1659 CB PRO A 130 16.763 9.910 4.651 1.00 10.00 C ATOM 1660 CG PRO A 130 16.329 9.994 6.074 1.00 10.00 C ATOM 1661 CD PRO A 130 15.728 8.653 6.421 1.00 10.00 C ATOM 0 HA PRO A 130 16.974 8.106 3.417 1.00 10.00 H new ATOM 0 HB2 PRO A 130 17.618 10.558 4.459 1.00 10.00 H new ATOM 0 HB3 PRO A 130 15.967 10.224 3.975 1.00 10.00 H new ATOM 0 HG2 PRO A 130 17.174 10.220 6.724 1.00 10.00 H new ATOM 0 HG3 PRO A 130 15.600 10.793 6.210 1.00 10.00 H new ATOM 0 HD2 PRO A 130 16.018 8.332 7.422 1.00 10.00 H new ATOM 0 HD3 PRO A 130 14.639 8.685 6.399 1.00 10.00 H new ATOM 1669 N VAL A 131 19.345 7.862 3.720 1.00 10.00 N ATOM 1670 CA VAL A 131 20.765 7.603 3.875 1.00 10.00 C ATOM 1671 C VAL A 131 21.581 8.754 3.301 1.00 10.00 C ATOM 1672 O VAL A 131 21.176 9.374 2.316 1.00 10.00 O ATOM 1673 CB VAL A 131 21.187 6.275 3.209 1.00 10.00 C ATOM 1674 CG1 VAL A 131 20.691 5.096 4.026 1.00 10.00 C ATOM 1675 CG2 VAL A 131 20.673 6.193 1.782 1.00 10.00 C ATOM 0 H VAL A 131 18.998 7.755 2.767 1.00 10.00 H new ATOM 0 HA VAL A 131 20.963 7.516 4.943 1.00 10.00 H new ATOM 0 HB VAL A 131 22.276 6.241 3.174 1.00 10.00 H new ATOM 0 HG11 VAL A 131 20.995 4.166 3.545 1.00 10.00 H new ATOM 0 HG12 VAL A 131 21.117 5.143 5.028 1.00 10.00 H new ATOM 0 HG13 VAL A 131 19.604 5.131 4.092 1.00 10.00 H new ATOM 0 HG21 VAL A 131 20.984 5.248 1.337 1.00 10.00 H new ATOM 0 HG22 VAL A 131 19.585 6.252 1.783 1.00 10.00 H new ATOM 0 HG23 VAL A 131 21.081 7.020 1.200 1.00 10.00 H new