USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 710 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 82 CYS SG : rot 23:sc= -1.59 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -3.82 F(o=-6.4!,f=-5.4) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -1.93 X(o=-6,f=-6.4) USER MOD Set 2.2: A 61 GLN : amide:sc= -1.95 K(o=-6,f=-6.9) USER MOD Set 2.3: A 124 HIS : no HE2:sc= -2.15 K(o=-6,f=-11!) USER MOD Set 3.1: A 50 GLN : amide:sc= -0.0595 K(o=-0.55,f=-2.6!) USER MOD Set 3.2: A 56 THR OG1 : rot 140:sc= -0.495 USER MOD Set 4.1: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 99 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.6!) USER MOD Set 5.1: A 49 GLN : amide:sc= -1.75 K(o=-6.9,f=-7.8!) USER MOD Set 5.2: A 97 GLN : amide:sc= -5.14! C(o=-6.9!,f=-7.6!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.6!) USER MOD Single : A 58 THR OG1 : rot 52:sc= -0.185 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0496 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.071) USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 0.73 (180deg=0.66) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= -0.403 (180deg=-1!) USER MOD Single : A 83 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.086) USER MOD Single : A 85 THR OG1 : rot -47:sc= -0.101 USER MOD Single : A 89 HIS : no HD1:sc= -1.98 K(o=-2,f=-4.4!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.34) USER MOD Single : A 107 CYS SG : rot -130:sc= -2.12! USER MOD Single : A 108 GLN :FLIP amide:sc= -0.26 F(o=-0.82,f=-0.26) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -4.46! F(o=-7.2,f=-4.5!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 1.118 -12.174 -13.854 1.00 0.00 N ATOM 607 CA ASP A 42 0.581 -11.917 -12.520 1.00 0.00 C ATOM 608 C ASP A 42 1.119 -10.607 -11.950 1.00 0.00 C ATOM 609 O ASP A 42 1.811 -10.597 -10.933 1.00 0.00 O ATOM 610 CB ASP A 42 0.920 -13.076 -11.579 1.00 0.00 C ATOM 611 CG ASP A 42 -0.100 -14.195 -11.648 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.721 -14.366 -12.718 1.00 0.00 O ATOM 613 OD2 ASP A 42 -0.278 -14.899 -10.633 1.00 0.00 O ATOM 0 HA ASP A 42 -0.502 -11.831 -12.606 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.904 -13.470 -11.832 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.979 -12.704 -10.556 1.00 0.00 H new ATOM 618 N TYR A 43 0.795 -9.504 -12.615 1.00 0.00 N ATOM 619 CA TYR A 43 1.245 -8.188 -12.177 1.00 0.00 C ATOM 620 C TYR A 43 0.632 -7.821 -10.831 1.00 0.00 C ATOM 621 O TYR A 43 -0.202 -8.551 -10.295 1.00 0.00 O ATOM 622 CB TYR A 43 0.876 -7.126 -13.215 1.00 0.00 C ATOM 623 CG TYR A 43 1.388 -7.413 -14.611 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.578 -8.105 -14.816 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.683 -6.977 -15.725 1.00 0.00 C ATOM 626 CE1 TYR A 43 3.046 -8.354 -16.092 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.144 -7.225 -17.004 1.00 0.00 C ATOM 628 CZ TYR A 43 2.327 -7.913 -17.182 1.00 0.00 C ATOM 629 OH TYR A 43 2.790 -8.159 -18.454 1.00 0.00 O ATOM 0 H TYR A 43 0.223 -9.495 -13.459 1.00 0.00 H new ATOM 0 HA TYR A 43 2.329 -8.225 -12.068 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.209 -7.032 -13.251 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.269 -6.163 -12.888 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.144 -8.453 -13.965 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.241 -6.435 -15.590 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.972 -8.892 -16.235 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.581 -6.882 -17.860 1.00 0.00 H new ATOM 0 HH TYR A 43 2.165 -7.783 -19.108 1.00 0.00 H new ATOM 639 N ILE A 44 1.043 -6.675 -10.298 1.00 0.00 N ATOM 640 CA ILE A 44 0.527 -6.195 -9.022 1.00 0.00 C ATOM 641 C ILE A 44 -0.295 -4.928 -9.233 1.00 0.00 C ATOM 642 O ILE A 44 0.249 -3.828 -9.329 1.00 0.00 O ATOM 643 CB ILE A 44 1.665 -5.915 -8.013 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.449 -7.197 -7.711 1.00 0.00 C ATOM 645 CG2 ILE A 44 1.110 -5.319 -6.727 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.578 -8.418 -7.502 1.00 0.00 C ATOM 0 H ILE A 44 1.733 -6.061 -10.731 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.106 -6.979 -8.607 1.00 0.00 H new ATOM 0 HB ILE A 44 2.345 -5.192 -8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.138 -7.391 -8.533 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.054 -7.038 -6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.927 -5.130 -6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.600 -4.382 -6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.405 -6.018 -6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.208 -9.283 -7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.907 -8.246 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.992 -8.605 -8.402 1.00 0.00 H new ATOM 658 N HIS A 45 -1.608 -5.098 -9.322 1.00 0.00 N ATOM 659 CA HIS A 45 -2.515 -3.980 -9.544 1.00 0.00 C ATOM 660 C HIS A 45 -2.408 -2.937 -8.440 1.00 0.00 C ATOM 661 O HIS A 45 -2.294 -3.266 -7.260 1.00 0.00 O ATOM 662 CB HIS A 45 -3.954 -4.482 -9.653 1.00 0.00 C ATOM 663 CG HIS A 45 -4.572 -4.225 -10.992 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.177 -4.877 -12.140 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.560 -3.377 -11.362 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.893 -4.441 -13.160 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.741 -3.531 -12.715 1.00 0.00 N ATOM 0 H HIS A 45 -2.070 -6.004 -9.243 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.226 -3.503 -10.480 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.974 -5.553 -9.451 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.558 -4.001 -8.884 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.104 -2.705 -10.715 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.801 -4.772 -14.184 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.420 -3.025 -13.284 1.00 0.00 H new ATOM 676 N ILE A 46 -2.459 -1.675 -8.845 1.00 0.00 N ATOM 677 CA ILE A 46 -2.384 -0.554 -7.922 1.00 0.00 C ATOM 678 C ILE A 46 -3.332 0.545 -8.378 1.00 0.00 C ATOM 679 O ILE A 46 -3.094 1.210 -9.383 1.00 0.00 O ATOM 680 CB ILE A 46 -0.948 -0.011 -7.823 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.098 -1.013 -7.031 1.00 0.00 C ATOM 682 CG2 ILE A 46 -0.937 1.377 -7.189 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.575 -0.452 -5.795 1.00 0.00 C ATOM 0 H ILE A 46 -2.554 -1.401 -9.823 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.679 -0.901 -6.931 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.520 0.100 -8.819 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.733 -1.848 -6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.669 -1.416 -7.692 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.089 1.741 -7.129 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.530 2.060 -7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.362 1.323 -6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.151 -1.238 -5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.241 0.362 -6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.182 -0.076 -5.107 1.00 0.00 H new ATOM 695 N ARG A 47 -4.421 0.708 -7.647 1.00 0.00 N ATOM 696 CA ARG A 47 -5.427 1.707 -7.996 1.00 0.00 C ATOM 697 C ARG A 47 -5.640 2.726 -6.884 1.00 0.00 C ATOM 698 O ARG A 47 -5.411 2.445 -5.710 1.00 0.00 O ATOM 699 CB ARG A 47 -6.755 1.022 -8.324 1.00 0.00 C ATOM 700 CG ARG A 47 -6.827 0.482 -9.742 1.00 0.00 C ATOM 701 CD ARG A 47 -8.066 -0.372 -9.950 1.00 0.00 C ATOM 702 NE ARG A 47 -9.296 0.368 -9.676 1.00 0.00 N ATOM 703 CZ ARG A 47 -10.513 -0.086 -9.966 1.00 0.00 C ATOM 704 NH1 ARG A 47 -10.668 -1.273 -10.538 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.579 0.650 -9.681 1.00 0.00 N ATOM 0 H ARG A 47 -4.635 0.166 -6.810 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.058 2.243 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.914 0.202 -7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.568 1.733 -8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.833 1.312 -10.449 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.936 -0.110 -9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.085 -0.739 -10.976 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.017 -1.246 -9.300 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.217 1.285 -9.237 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.852 -1.844 -10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.604 -1.615 -10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.465 1.563 -9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.512 0.303 -9.903 1.00 0.00 H new ATOM 719 N ILE A 48 -6.096 3.911 -7.276 1.00 0.00 N ATOM 720 CA ILE A 48 -6.365 4.991 -6.333 1.00 0.00 C ATOM 721 C ILE A 48 -7.871 5.223 -6.202 1.00 0.00 C ATOM 722 O ILE A 48 -8.640 4.893 -7.105 1.00 0.00 O ATOM 723 CB ILE A 48 -5.675 6.307 -6.781 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.202 6.311 -6.372 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.377 7.529 -6.205 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.454 7.529 -6.866 1.00 0.00 C ATOM 0 H ILE A 48 -6.288 4.149 -8.249 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.960 4.696 -5.365 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.742 6.357 -7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.132 6.265 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.720 5.414 -6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.867 8.433 -6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.412 7.549 -6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.355 7.482 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.414 7.473 -6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.495 7.564 -7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.913 8.429 -6.456 1.00 0.00 H new ATOM 738 N GLN A 49 -8.285 5.802 -5.078 1.00 0.00 N ATOM 739 CA GLN A 49 -9.696 6.089 -4.842 1.00 0.00 C ATOM 740 C GLN A 49 -9.862 7.464 -4.205 1.00 0.00 C ATOM 741 O GLN A 49 -9.881 7.597 -2.982 1.00 0.00 O ATOM 742 CB GLN A 49 -10.328 5.012 -3.957 1.00 0.00 C ATOM 743 CG GLN A 49 -9.718 4.920 -2.569 1.00 0.00 C ATOM 744 CD GLN A 49 -9.857 3.538 -1.964 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.866 2.885 -1.640 1.00 0.00 O ATOM 746 NE2 GLN A 49 -11.096 3.081 -1.811 1.00 0.00 N ATOM 0 H GLN A 49 -7.664 6.081 -4.318 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.209 6.087 -5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.395 5.214 -3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.229 4.046 -4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.662 5.185 -2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.198 5.649 -1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.890 3.656 -2.093 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.253 2.156 -1.411 1.00 0.00 H new ATOM 755 N GLN A 50 -9.975 8.488 -5.046 1.00 0.00 N ATOM 756 CA GLN A 50 -10.130 9.856 -4.569 1.00 0.00 C ATOM 757 C GLN A 50 -11.601 10.231 -4.424 1.00 0.00 C ATOM 758 O GLN A 50 -12.302 10.427 -5.416 1.00 0.00 O ATOM 759 CB GLN A 50 -9.431 10.833 -5.518 1.00 0.00 C ATOM 760 CG GLN A 50 -8.600 11.884 -4.799 1.00 0.00 C ATOM 761 CD GLN A 50 -7.696 12.662 -5.735 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.031 12.890 -6.896 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.539 13.075 -5.230 1.00 0.00 N ATOM 0 H GLN A 50 -9.962 8.395 -6.062 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.666 9.919 -3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.787 10.272 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.181 11.331 -6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.266 12.577 -4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.993 11.399 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.301 12.864 -4.261 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.888 13.604 -5.811 1.00 0.00 H new ATOM 772 N ARG A 51 -12.056 10.340 -3.181 1.00 0.00 N ATOM 773 CA ARG A 51 -13.439 10.703 -2.904 1.00 0.00 C ATOM 774 C ARG A 51 -13.620 12.214 -2.996 1.00 0.00 C ATOM 775 O ARG A 51 -12.971 12.970 -2.273 1.00 0.00 O ATOM 776 CB ARG A 51 -13.857 10.203 -1.520 1.00 0.00 C ATOM 777 CG ARG A 51 -14.999 9.202 -1.557 1.00 0.00 C ATOM 778 CD ARG A 51 -14.534 7.848 -2.071 1.00 0.00 C ATOM 779 NE ARG A 51 -15.477 6.783 -1.739 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.270 5.498 -2.018 1.00 0.00 C ATOM 781 NH1 ARG A 51 -14.156 5.117 -2.631 1.00 0.00 N ATOM 782 NH2 ARG A 51 -16.178 4.592 -1.683 1.00 0.00 N ATOM 0 H ARG A 51 -11.487 10.182 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.076 10.229 -3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.997 9.743 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.151 11.056 -0.908 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.418 9.089 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.797 9.581 -2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.407 7.895 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.558 7.614 -1.645 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.344 7.039 -1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.454 5.810 -2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.002 4.131 -2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.035 4.880 -1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.019 3.607 -1.897 1.00 0.00 H new ATOM 796 N ASN A 52 -14.496 12.647 -3.895 1.00 0.00 N ATOM 797 CA ASN A 52 -14.753 14.070 -4.087 1.00 0.00 C ATOM 798 C ASN A 52 -13.520 14.771 -4.654 1.00 0.00 C ATOM 799 O ASN A 52 -13.370 15.986 -4.522 1.00 0.00 O ATOM 800 CB ASN A 52 -15.169 14.724 -2.767 1.00 0.00 C ATOM 801 CG ASN A 52 -15.946 16.009 -2.979 1.00 0.00 C ATOM 802 OD1 ASN A 52 -16.238 16.392 -4.112 1.00 0.00 O ATOM 803 ND2 ASN A 52 -16.285 16.682 -1.886 1.00 0.00 N ATOM 0 H ASN A 52 -15.040 12.034 -4.502 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.570 14.173 -4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.778 14.025 -2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.280 14.934 -2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.809 17.554 -1.966 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.022 16.327 -0.967 1.00 0.00 H new ATOM 810 N GLY A 53 -12.644 13.998 -5.288 1.00 0.00 N ATOM 811 CA GLY A 53 -11.439 14.559 -5.872 1.00 0.00 C ATOM 812 C GLY A 53 -10.439 15.027 -4.832 1.00 0.00 C ATOM 813 O GLY A 53 -9.623 15.909 -5.104 1.00 0.00 O ATOM 0 H GLY A 53 -12.748 12.990 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.968 13.811 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.709 15.399 -6.512 1.00 0.00 H new ATOM 817 N ARG A 54 -10.494 14.440 -3.638 1.00 0.00 N ATOM 818 CA ARG A 54 -9.577 14.814 -2.566 1.00 0.00 C ATOM 819 C ARG A 54 -9.156 13.600 -1.742 1.00 0.00 C ATOM 820 O ARG A 54 -7.988 13.216 -1.745 1.00 0.00 O ATOM 821 CB ARG A 54 -10.222 15.864 -1.658 1.00 0.00 C ATOM 822 CG ARG A 54 -10.847 17.024 -2.417 1.00 0.00 C ATOM 823 CD ARG A 54 -10.639 18.346 -1.693 1.00 0.00 C ATOM 824 NE ARG A 54 -9.881 19.299 -2.502 1.00 0.00 N ATOM 825 CZ ARG A 54 -9.888 20.614 -2.299 1.00 0.00 C ATOM 826 NH1 ARG A 54 -10.606 21.139 -1.314 1.00 0.00 N ATOM 827 NH2 ARG A 54 -9.172 21.408 -3.083 1.00 0.00 N ATOM 0 H ARG A 54 -11.160 13.708 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.684 15.236 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.988 15.384 -1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.468 16.253 -0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.412 17.083 -3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.914 16.843 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.608 18.776 -1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.113 18.167 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.313 18.934 -3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.158 20.533 -0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.606 22.148 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.617 21.011 -3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.177 22.416 -2.928 1.00 0.00 H new ATOM 841 N LYS A 55 -10.113 13.004 -1.033 1.00 0.00 N ATOM 842 CA LYS A 55 -9.835 11.834 -0.203 1.00 0.00 C ATOM 843 C LYS A 55 -9.278 10.689 -1.044 1.00 0.00 C ATOM 844 O LYS A 55 -10.011 9.787 -1.447 1.00 0.00 O ATOM 845 CB LYS A 55 -11.106 11.382 0.520 1.00 0.00 C ATOM 846 CG LYS A 55 -10.891 10.195 1.446 1.00 0.00 C ATOM 847 CD LYS A 55 -9.840 10.495 2.503 1.00 0.00 C ATOM 848 CE LYS A 55 -10.245 11.672 3.375 1.00 0.00 C ATOM 849 NZ LYS A 55 -9.510 11.684 4.671 1.00 0.00 N ATOM 0 H LYS A 55 -11.085 13.311 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.085 12.114 0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.501 12.217 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.862 11.122 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.832 9.935 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.584 9.328 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.689 9.614 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.887 10.710 2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.053 12.602 2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.317 11.630 3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.815 12.502 5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.713 10.808 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.488 11.750 4.490 1.00 0.00 H new ATOM 863 N THR A 56 -7.976 10.739 -1.308 1.00 0.00 N ATOM 864 CA THR A 56 -7.310 9.720 -2.108 1.00 0.00 C ATOM 865 C THR A 56 -6.840 8.556 -1.239 1.00 0.00 C ATOM 866 O THR A 56 -6.331 8.758 -0.138 1.00 0.00 O ATOM 867 CB THR A 56 -6.119 10.337 -2.845 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.174 11.751 -2.791 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.043 9.940 -4.302 1.00 0.00 C ATOM 0 H THR A 56 -7.359 11.480 -0.976 1.00 0.00 H new ATOM 0 HA THR A 56 -8.026 9.333 -2.833 1.00 0.00 H new ATOM 0 HB THR A 56 -5.236 9.954 -2.334 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.273 12.108 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.176 10.413 -4.763 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.950 8.857 -4.380 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.948 10.264 -4.815 1.00 0.00 H new ATOM 877 N LEU A 57 -7.012 7.338 -1.746 1.00 0.00 N ATOM 878 CA LEU A 57 -6.599 6.143 -1.017 1.00 0.00 C ATOM 879 C LEU A 57 -6.009 5.100 -1.967 1.00 0.00 C ATOM 880 O LEU A 57 -6.714 4.217 -2.453 1.00 0.00 O ATOM 881 CB LEU A 57 -7.783 5.544 -0.256 1.00 0.00 C ATOM 882 CG LEU A 57 -7.707 5.691 1.264 1.00 0.00 C ATOM 883 CD1 LEU A 57 -8.072 7.107 1.682 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.616 4.677 1.946 1.00 0.00 C ATOM 0 H LEU A 57 -7.433 7.153 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.829 6.435 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.700 6.017 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.857 4.485 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.682 5.495 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.012 7.193 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.378 7.812 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.087 7.333 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.548 4.797 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.646 4.839 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.306 3.668 1.673 1.00 0.00 H new ATOM 896 N THR A 58 -4.712 5.211 -2.231 1.00 0.00 N ATOM 897 CA THR A 58 -4.028 4.282 -3.127 1.00 0.00 C ATOM 898 C THR A 58 -4.071 2.855 -2.591 1.00 0.00 C ATOM 899 O THR A 58 -3.477 2.551 -1.558 1.00 0.00 O ATOM 900 CB THR A 58 -2.576 4.717 -3.328 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.513 6.043 -3.821 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.813 3.833 -4.290 1.00 0.00 C ATOM 0 H THR A 58 -4.111 5.935 -1.838 1.00 0.00 H new ATOM 0 HA THR A 58 -4.549 4.300 -4.084 1.00 0.00 H new ATOM 0 HB THR A 58 -2.113 4.639 -2.344 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.044 6.632 -3.245 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.790 4.198 -4.387 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.799 2.811 -3.912 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.299 3.853 -5.266 1.00 0.00 H new ATOM 910 N THR A 59 -4.773 1.979 -3.306 1.00 0.00 N ATOM 911 CA THR A 59 -4.882 0.581 -2.907 1.00 0.00 C ATOM 912 C THR A 59 -3.902 -0.283 -3.691 1.00 0.00 C ATOM 913 O THR A 59 -3.335 0.157 -4.692 1.00 0.00 O ATOM 914 CB THR A 59 -6.309 0.065 -3.122 1.00 0.00 C ATOM 915 OG1 THR A 59 -7.022 0.912 -4.006 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.110 -0.043 -1.844 1.00 0.00 C ATOM 0 H THR A 59 -5.274 2.214 -4.163 1.00 0.00 H new ATOM 0 HA THR A 59 -4.639 0.518 -1.846 1.00 0.00 H new ATOM 0 HB THR A 59 -6.191 -0.934 -3.541 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.930 0.564 -4.131 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.109 -0.414 -2.071 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.614 -0.732 -1.161 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.185 0.939 -1.378 1.00 0.00 H new ATOM 924 N VAL A 60 -3.708 -1.515 -3.234 1.00 0.00 N ATOM 925 CA VAL A 60 -2.797 -2.442 -3.899 1.00 0.00 C ATOM 926 C VAL A 60 -3.414 -3.830 -4.031 1.00 0.00 C ATOM 927 O VAL A 60 -3.907 -4.398 -3.056 1.00 0.00 O ATOM 928 CB VAL A 60 -1.459 -2.557 -3.147 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.496 -3.468 -3.896 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.852 -1.180 -2.946 1.00 0.00 C ATOM 0 H VAL A 60 -4.168 -1.896 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.612 -2.036 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.647 -2.999 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.443 -3.535 -3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.934 -4.462 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.307 -3.060 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.094 -1.274 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.678 -0.714 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.536 -0.562 -2.365 1.00 0.00 H new ATOM 940 N GLN A 61 -3.371 -4.375 -5.242 1.00 0.00 N ATOM 941 CA GLN A 61 -3.912 -5.702 -5.508 1.00 0.00 C ATOM 942 C GLN A 61 -2.855 -6.582 -6.159 1.00 0.00 C ATOM 943 O GLN A 61 -2.072 -6.120 -6.988 1.00 0.00 O ATOM 944 CB GLN A 61 -5.153 -5.626 -6.409 1.00 0.00 C ATOM 945 CG GLN A 61 -5.655 -4.213 -6.656 1.00 0.00 C ATOM 946 CD GLN A 61 -6.738 -4.150 -7.719 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.806 -3.196 -8.492 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.590 -5.168 -7.763 1.00 0.00 N ATOM 0 H GLN A 61 -2.965 -3.916 -6.057 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.207 -6.139 -4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -4.922 -6.091 -7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.954 -6.211 -5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.043 -3.802 -5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.819 -3.583 -6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.497 -5.940 -7.102 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.337 -5.178 -8.457 1.00 0.00 H new ATOM 957 N GLY A 62 -2.831 -7.849 -5.771 1.00 0.00 N ATOM 958 CA GLY A 62 -1.859 -8.771 -6.320 1.00 0.00 C ATOM 959 C GLY A 62 -0.862 -9.231 -5.276 1.00 0.00 C ATOM 960 O GLY A 62 -0.263 -10.299 -5.403 1.00 0.00 O ATOM 0 H GLY A 62 -3.468 -8.255 -5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.375 -9.637 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.328 -8.291 -7.142 1.00 0.00 H new ATOM 964 N ILE A 63 -0.688 -8.419 -4.237 1.00 0.00 N ATOM 965 CA ILE A 63 0.235 -8.738 -3.159 1.00 0.00 C ATOM 966 C ILE A 63 -0.293 -9.904 -2.329 1.00 0.00 C ATOM 967 O ILE A 63 -1.502 -10.084 -2.188 1.00 0.00 O ATOM 968 CB ILE A 63 0.484 -7.497 -2.260 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.357 -6.463 -2.992 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.121 -7.882 -0.929 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.390 -7.064 -3.920 1.00 0.00 C ATOM 0 H ILE A 63 -1.178 -7.532 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 63 1.186 -9.033 -3.602 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.487 -7.050 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.710 -5.801 -3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.866 -5.846 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.279 -6.986 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.461 -8.565 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.078 -8.370 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.961 -6.266 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.064 -7.702 -3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.890 -7.657 -4.686 1.00 0.00 H new ATOM 983 N ALA A 64 0.626 -10.700 -1.794 1.00 0.00 N ATOM 984 CA ALA A 64 0.261 -11.859 -0.993 1.00 0.00 C ATOM 985 C ALA A 64 0.196 -11.514 0.489 1.00 0.00 C ATOM 986 O ALA A 64 1.129 -10.931 1.041 1.00 0.00 O ATOM 987 CB ALA A 64 1.252 -12.988 -1.227 1.00 0.00 C ATOM 0 H ALA A 64 1.631 -10.562 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.732 -12.183 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.970 -13.851 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.245 -13.265 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.252 -12.659 -0.945 1.00 0.00 H new ATOM 993 N ASP A 65 -0.905 -11.892 1.130 1.00 0.00 N ATOM 994 CA ASP A 65 -1.080 -11.633 2.554 1.00 0.00 C ATOM 995 C ASP A 65 0.048 -12.278 3.355 1.00 0.00 C ATOM 996 O ASP A 65 0.338 -11.869 4.480 1.00 0.00 O ATOM 997 CB ASP A 65 -2.433 -12.167 3.031 1.00 0.00 C ATOM 998 CG ASP A 65 -2.679 -13.600 2.602 1.00 0.00 C ATOM 999 OD1 ASP A 65 -1.766 -14.207 2.002 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.785 -14.117 2.866 1.00 0.00 O ATOM 0 H ASP A 65 -1.686 -12.377 0.688 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.052 -10.555 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.481 -12.104 4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.228 -11.533 2.639 1.00 0.00 H new ATOM 1005 N ASP A 66 0.687 -13.285 2.761 1.00 0.00 N ATOM 1006 CA ASP A 66 1.788 -13.982 3.413 1.00 0.00 C ATOM 1007 C ASP A 66 2.942 -13.027 3.696 1.00 0.00 C ATOM 1008 O ASP A 66 3.778 -13.290 4.562 1.00 0.00 O ATOM 1009 CB ASP A 66 2.272 -15.141 2.539 1.00 0.00 C ATOM 1010 CG ASP A 66 3.031 -16.186 3.333 1.00 0.00 C ATOM 1011 OD1 ASP A 66 2.393 -16.899 4.136 1.00 0.00 O ATOM 1012 OD2 ASP A 66 4.262 -16.291 3.152 1.00 0.00 O ATOM 0 H ASP A 66 0.459 -13.634 1.830 1.00 0.00 H new ATOM 0 HA ASP A 66 1.426 -14.378 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.415 -15.609 2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.914 -14.753 1.748 1.00 0.00 H new ATOM 1017 N TYR A 67 2.983 -11.912 2.966 1.00 0.00 N ATOM 1018 CA TYR A 67 4.032 -10.916 3.145 1.00 0.00 C ATOM 1019 C TYR A 67 4.149 -10.512 4.613 1.00 0.00 C ATOM 1020 O TYR A 67 3.416 -11.014 5.464 1.00 0.00 O ATOM 1021 CB TYR A 67 3.742 -9.681 2.286 1.00 0.00 C ATOM 1022 CG TYR A 67 3.855 -9.911 0.794 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.004 -11.188 0.260 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.808 -8.839 -0.084 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.105 -11.381 -1.106 1.00 0.00 C ATOM 1026 CE2 TYR A 67 3.906 -9.023 -1.445 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.055 -10.295 -1.954 1.00 0.00 C ATOM 1028 OH TYR A 67 4.154 -10.482 -3.314 1.00 0.00 O ATOM 0 H TYR A 67 2.300 -11.679 2.245 1.00 0.00 H new ATOM 0 HA TYR A 67 4.978 -11.356 2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.736 -9.326 2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.431 -8.886 2.571 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.041 -12.041 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.692 -7.839 0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.222 -12.377 -1.506 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.866 -8.174 -2.111 1.00 0.00 H new ATOM 0 HH TYR A 67 4.100 -9.615 -3.768 1.00 0.00 H new ATOM 1038 N ASP A 68 5.073 -9.604 4.905 1.00 0.00 N ATOM 1039 CA ASP A 68 5.278 -9.138 6.273 1.00 0.00 C ATOM 1040 C ASP A 68 3.962 -8.687 6.903 1.00 0.00 C ATOM 1041 O ASP A 68 3.804 -8.722 8.123 1.00 0.00 O ATOM 1042 CB ASP A 68 6.289 -7.990 6.296 1.00 0.00 C ATOM 1043 CG ASP A 68 7.723 -8.484 6.336 1.00 0.00 C ATOM 1044 OD1 ASP A 68 8.221 -8.945 5.288 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.346 -8.409 7.416 1.00 0.00 O ATOM 0 H ASP A 68 5.691 -9.176 4.215 1.00 0.00 H new ATOM 0 HA ASP A 68 5.669 -9.971 6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.147 -7.366 5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.100 -7.360 7.165 1.00 0.00 H new ATOM 1050 N LYS A 69 3.022 -8.262 6.061 1.00 0.00 N ATOM 1051 CA LYS A 69 1.720 -7.802 6.531 1.00 0.00 C ATOM 1052 C LYS A 69 1.876 -6.588 7.444 1.00 0.00 C ATOM 1053 O LYS A 69 1.723 -5.446 7.005 1.00 0.00 O ATOM 1054 CB LYS A 69 0.986 -8.931 7.261 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.344 -8.505 7.867 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.503 -9.305 7.294 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.489 -10.742 7.791 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.845 -11.201 8.201 1.00 0.00 N ATOM 0 H LYS A 69 3.140 -8.227 5.048 1.00 0.00 H new ATOM 0 HA LYS A 69 1.127 -7.506 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.811 -9.750 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.628 -9.318 8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.310 -8.636 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.506 -7.444 7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.445 -8.832 7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.450 -9.295 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.107 -11.394 7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.806 -10.827 8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.793 -12.185 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.199 -10.595 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.491 -11.144 7.388 1.00 0.00 H new ATOM 1072 N LYS A 70 2.193 -6.841 8.711 1.00 0.00 N ATOM 1073 CA LYS A 70 2.381 -5.769 9.680 1.00 0.00 C ATOM 1074 C LYS A 70 3.454 -4.801 9.199 1.00 0.00 C ATOM 1075 O LYS A 70 3.240 -3.590 9.159 1.00 0.00 O ATOM 1076 CB LYS A 70 2.772 -6.347 11.041 1.00 0.00 C ATOM 1077 CG LYS A 70 1.600 -6.935 11.810 1.00 0.00 C ATOM 1078 CD LYS A 70 1.443 -8.422 11.534 1.00 0.00 C ATOM 1079 CE LYS A 70 0.949 -9.167 12.763 1.00 0.00 C ATOM 1080 NZ LYS A 70 -0.537 -9.249 12.804 1.00 0.00 N ATOM 0 H LYS A 70 2.325 -7.779 9.089 1.00 0.00 H new ATOM 0 HA LYS A 70 1.440 -5.228 9.783 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.525 -7.121 10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.233 -5.562 11.641 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.747 -6.776 12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.684 -6.414 11.533 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.742 -8.569 10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.399 -8.837 11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.368 -10.173 12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.310 -8.665 13.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.833 -9.765 13.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.937 -8.289 12.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.880 -9.751 11.960 1.00 0.00 H new ATOM 1094 N LYS A 71 4.604 -5.349 8.824 1.00 0.00 N ATOM 1095 CA LYS A 71 5.713 -4.541 8.333 1.00 0.00 C ATOM 1096 C LYS A 71 5.450 -4.070 6.904 1.00 0.00 C ATOM 1097 O LYS A 71 6.028 -3.083 6.451 1.00 0.00 O ATOM 1098 CB LYS A 71 7.017 -5.341 8.392 1.00 0.00 C ATOM 1099 CG LYS A 71 8.148 -4.605 9.090 1.00 0.00 C ATOM 1100 CD LYS A 71 8.723 -3.502 8.213 1.00 0.00 C ATOM 1101 CE LYS A 71 10.166 -3.785 7.832 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.001 -2.552 7.863 1.00 0.00 N ATOM 0 H LYS A 71 4.793 -6.351 8.851 1.00 0.00 H new ATOM 0 HA LYS A 71 5.806 -3.663 8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.833 -6.283 8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.328 -5.590 7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.783 -4.176 10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.936 -5.311 9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.120 -3.403 7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.665 -2.550 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.584 -4.524 8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.199 -4.221 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.978 -2.788 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.618 -1.856 7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.991 -2.150 8.822 1.00 0.00 H new ATOM 1116 N LEU A 72 4.574 -4.784 6.199 1.00 0.00 N ATOM 1117 CA LEU A 72 4.233 -4.438 4.823 1.00 0.00 C ATOM 1118 C LEU A 72 3.776 -2.987 4.724 1.00 0.00 C ATOM 1119 O LEU A 72 4.383 -2.180 4.019 1.00 0.00 O ATOM 1120 CB LEU A 72 3.135 -5.369 4.298 1.00 0.00 C ATOM 1121 CG LEU A 72 3.286 -5.793 2.837 1.00 0.00 C ATOM 1122 CD1 LEU A 72 3.048 -4.610 1.913 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.662 -6.396 2.599 1.00 0.00 C ATOM 0 H LEU A 72 4.088 -5.605 6.559 1.00 0.00 H new ATOM 0 HA LEU A 72 5.127 -4.560 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.112 -6.264 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.172 -4.873 4.418 1.00 0.00 H new ATOM 0 HG LEU A 72 2.537 -6.554 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.159 -4.929 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.040 -4.225 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.774 -3.826 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.753 -6.693 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.429 -5.658 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.791 -7.270 3.237 1.00 0.00 H new ATOM 1135 N VAL A 73 2.700 -2.662 5.432 1.00 0.00 N ATOM 1136 CA VAL A 73 2.161 -1.308 5.421 1.00 0.00 C ATOM 1137 C VAL A 73 2.860 -0.421 6.448 1.00 0.00 C ATOM 1138 O VAL A 73 3.086 0.765 6.202 1.00 0.00 O ATOM 1139 CB VAL A 73 0.646 -1.309 5.695 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.350 -1.781 7.111 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.060 0.071 5.449 1.00 0.00 C ATOM 0 H VAL A 73 2.185 -3.317 6.020 1.00 0.00 H new ATOM 0 HA VAL A 73 2.342 -0.904 4.425 1.00 0.00 H new ATOM 0 HB VAL A 73 0.174 -2.009 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.727 -1.773 7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.730 -2.794 7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.834 -1.115 7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.012 0.052 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.539 0.793 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.232 0.360 4.412 1.00 0.00 H new ATOM 1151 N LYS A 74 3.203 -0.997 7.597 1.00 0.00 N ATOM 1152 CA LYS A 74 3.879 -0.248 8.654 1.00 0.00 C ATOM 1153 C LYS A 74 5.132 0.431 8.113 1.00 0.00 C ATOM 1154 O LYS A 74 5.393 1.599 8.399 1.00 0.00 O ATOM 1155 CB LYS A 74 4.246 -1.170 9.817 1.00 0.00 C ATOM 1156 CG LYS A 74 4.972 -0.462 10.952 1.00 0.00 C ATOM 1157 CD LYS A 74 4.271 -0.671 12.285 1.00 0.00 C ATOM 1158 CE LYS A 74 4.368 -2.116 12.749 1.00 0.00 C ATOM 1159 NZ LYS A 74 3.040 -2.791 12.747 1.00 0.00 N ATOM 0 H LYS A 74 3.025 -1.976 7.820 1.00 0.00 H new ATOM 0 HA LYS A 74 3.194 0.518 9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.337 -1.627 10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.874 -1.979 9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.995 -0.833 11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.032 0.605 10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.714 -0.017 13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.223 -0.387 12.194 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.053 -2.661 12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.789 -2.147 13.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.093 -3.662 13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.327 -2.155 13.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.772 -3.028 11.770 1.00 0.00 H new ATOM 1173 N ALA A 75 5.899 -0.309 7.318 1.00 0.00 N ATOM 1174 CA ALA A 75 7.117 0.225 6.726 1.00 0.00 C ATOM 1175 C ALA A 75 6.795 1.404 5.818 1.00 0.00 C ATOM 1176 O ALA A 75 7.597 2.326 5.670 1.00 0.00 O ATOM 1177 CB ALA A 75 7.851 -0.860 5.952 1.00 0.00 C ATOM 0 H ALA A 75 5.698 -1.278 7.070 1.00 0.00 H new ATOM 0 HA ALA A 75 7.767 0.576 7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.759 -0.444 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.113 -1.675 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.208 -1.239 5.158 1.00 0.00 H new ATOM 1183 N PHE A 76 5.608 1.371 5.216 1.00 0.00 N ATOM 1184 CA PHE A 76 5.173 2.440 4.329 1.00 0.00 C ATOM 1185 C PHE A 76 5.078 3.760 5.085 1.00 0.00 C ATOM 1186 O PHE A 76 5.509 4.804 4.593 1.00 0.00 O ATOM 1187 CB PHE A 76 3.819 2.101 3.704 1.00 0.00 C ATOM 1188 CG PHE A 76 3.595 2.778 2.385 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.052 2.203 1.211 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.939 3.997 2.320 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.859 2.829 -0.003 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.742 4.627 1.108 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.203 4.044 -0.056 1.00 0.00 C ATOM 0 H PHE A 76 4.933 0.615 5.328 1.00 0.00 H new ATOM 0 HA PHE A 76 5.913 2.543 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.748 1.022 3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.025 2.389 4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.565 1.254 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.578 4.459 3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.220 2.370 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.227 5.576 1.070 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.051 4.536 -1.005 1.00 0.00 H new ATOM 1203 N LYS A 77 4.517 3.707 6.289 1.00 0.00 N ATOM 1204 CA LYS A 77 4.371 4.896 7.120 1.00 0.00 C ATOM 1205 C LYS A 77 5.721 5.358 7.668 1.00 0.00 C ATOM 1206 O LYS A 77 5.825 6.434 8.255 1.00 0.00 O ATOM 1207 CB LYS A 77 3.407 4.623 8.277 1.00 0.00 C ATOM 1208 CG LYS A 77 1.953 4.518 7.847 1.00 0.00 C ATOM 1209 CD LYS A 77 1.112 3.812 8.898 1.00 0.00 C ATOM 1210 CE LYS A 77 1.343 2.309 8.881 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.107 1.550 9.225 1.00 0.00 N ATOM 0 H LYS A 77 4.156 2.852 6.711 1.00 0.00 H new ATOM 0 HA LYS A 77 3.965 5.691 6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.699 3.696 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.502 5.420 9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.552 5.516 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.889 3.975 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.354 4.207 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.057 4.021 8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.691 2.007 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.133 2.056 9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.344 0.547 9.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.306 1.936 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.580 1.636 8.449 1.00 0.00 H new ATOM 1225 N LYS A 78 6.752 4.541 7.476 1.00 0.00 N ATOM 1226 CA LYS A 78 8.088 4.876 7.953 1.00 0.00 C ATOM 1227 C LYS A 78 8.966 5.389 6.813 1.00 0.00 C ATOM 1228 O LYS A 78 9.981 6.044 7.046 1.00 0.00 O ATOM 1229 CB LYS A 78 8.741 3.653 8.599 1.00 0.00 C ATOM 1230 CG LYS A 78 10.063 3.959 9.284 1.00 0.00 C ATOM 1231 CD LYS A 78 9.861 4.791 10.540 1.00 0.00 C ATOM 1232 CE LYS A 78 11.120 5.559 10.908 1.00 0.00 C ATOM 1233 NZ LYS A 78 11.043 6.987 10.491 1.00 0.00 N ATOM 0 H LYS A 78 6.688 3.644 6.994 1.00 0.00 H new ATOM 0 HA LYS A 78 7.991 5.668 8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.053 3.228 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.905 2.893 7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.565 3.026 9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.716 4.493 8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.039 5.490 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.576 4.140 11.367 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.277 5.504 11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.983 5.089 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.921 7.475 10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.919 7.041 9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.235 7.443 10.961 1.00 0.00 H new ATOM 1247 N LYS A 79 8.572 5.083 5.579 1.00 0.00 N ATOM 1248 CA LYS A 79 9.329 5.510 4.408 1.00 0.00 C ATOM 1249 C LYS A 79 8.712 6.753 3.774 1.00 0.00 C ATOM 1250 O LYS A 79 9.416 7.709 3.447 1.00 0.00 O ATOM 1251 CB LYS A 79 9.398 4.382 3.377 1.00 0.00 C ATOM 1252 CG LYS A 79 10.370 4.654 2.240 1.00 0.00 C ATOM 1253 CD LYS A 79 10.590 3.415 1.386 1.00 0.00 C ATOM 1254 CE LYS A 79 11.381 3.739 0.128 1.00 0.00 C ATOM 1255 NZ LYS A 79 12.844 3.813 0.396 1.00 0.00 N ATOM 0 H LYS A 79 7.734 4.542 5.366 1.00 0.00 H new ATOM 0 HA LYS A 79 10.338 5.758 4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.689 3.459 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.403 4.219 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.986 5.463 1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.323 4.990 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.121 2.661 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.627 2.986 1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.188 2.978 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.038 4.689 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.325 4.246 -0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.013 4.390 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.218 2.855 0.549 1.00 0.00 H new ATOM 1269 N PHE A 80 7.394 6.733 3.596 1.00 0.00 N ATOM 1270 CA PHE A 80 6.687 7.860 2.993 1.00 0.00 C ATOM 1271 C PHE A 80 5.827 8.596 4.018 1.00 0.00 C ATOM 1272 O PHE A 80 5.340 9.694 3.753 1.00 0.00 O ATOM 1273 CB PHE A 80 5.806 7.382 1.836 1.00 0.00 C ATOM 1274 CG PHE A 80 6.401 6.253 1.043 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.271 4.943 1.477 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.086 6.502 -0.135 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.813 3.902 0.749 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.630 5.464 -0.867 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.493 4.163 -0.425 1.00 0.00 C ATOM 0 H PHE A 80 6.795 5.951 3.860 1.00 0.00 H new ATOM 0 HA PHE A 80 7.440 8.552 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.842 7.065 2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.615 8.221 1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.740 4.734 2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.196 7.518 -0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.705 2.885 1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.162 5.670 -1.784 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.917 3.350 -0.996 1.00 0.00 H new ATOM 1289 N ALA A 81 5.631 7.986 5.185 1.00 0.00 N ATOM 1290 CA ALA A 81 4.818 8.594 6.230 1.00 0.00 C ATOM 1291 C ALA A 81 3.386 8.792 5.750 1.00 0.00 C ATOM 1292 O ALA A 81 2.799 9.859 5.929 1.00 0.00 O ATOM 1293 CB ALA A 81 5.422 9.919 6.668 1.00 0.00 C ATOM 0 H ALA A 81 6.023 7.076 5.428 1.00 0.00 H new ATOM 0 HA ALA A 81 4.801 7.921 7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.803 10.361 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.428 9.751 7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.469 10.597 5.816 1.00 0.00 H new ATOM 1299 N CYS A 82 2.830 7.754 5.134 1.00 0.00 N ATOM 1300 CA CYS A 82 1.466 7.809 4.621 1.00 0.00 C ATOM 1301 C CYS A 82 0.570 6.811 5.347 1.00 0.00 C ATOM 1302 O CYS A 82 0.953 5.663 5.568 1.00 0.00 O ATOM 1303 CB CYS A 82 1.453 7.525 3.118 1.00 0.00 C ATOM 1304 SG CYS A 82 2.563 8.580 2.158 1.00 0.00 S ATOM 0 H CYS A 82 3.303 6.864 4.978 1.00 0.00 H new ATOM 0 HA CYS A 82 1.078 8.812 4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.727 6.483 2.954 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.437 7.650 2.744 1.00 0.00 H new ATOM 0 HG CYS A 82 3.507 9.032 2.929 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.625 7.260 5.717 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.580 6.410 6.420 1.00 0.00 C ATOM 1312 C ASN A 83 -1.916 5.172 5.596 1.00 0.00 C ATOM 1313 O ASN A 83 -2.784 5.212 4.724 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.854 7.192 6.736 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.316 6.989 8.166 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.485 6.696 8.418 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.397 7.145 9.111 1.00 0.00 N ATOM 0 H ASN A 83 -0.956 8.209 5.542 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.122 6.086 7.355 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.679 8.253 6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.646 6.883 6.054 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.648 7.022 10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.440 7.388 8.856 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.224 4.076 5.878 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.465 2.844 5.154 1.00 0.00 C ATOM 1326 C GLY A 84 -2.261 1.841 5.964 1.00 0.00 C ATOM 1327 O GLY A 84 -2.007 1.651 7.154 1.00 0.00 O ATOM 0 H GLY A 84 -0.501 4.018 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.000 3.067 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.511 2.401 4.870 1.00 0.00 H new ATOM 1331 N THR A 85 -3.225 1.195 5.317 1.00 0.00 N ATOM 1332 CA THR A 85 -4.062 0.201 5.986 1.00 0.00 C ATOM 1333 C THR A 85 -4.163 -1.075 5.156 1.00 0.00 C ATOM 1334 O THR A 85 -3.927 -1.063 3.952 1.00 0.00 O ATOM 1335 CB THR A 85 -5.459 0.770 6.241 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.123 1.034 5.018 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.446 2.053 7.043 1.00 0.00 C ATOM 0 H THR A 85 -3.447 1.340 4.332 1.00 0.00 H new ATOM 0 HA THR A 85 -3.597 -0.045 6.941 1.00 0.00 H new ATOM 0 HB THR A 85 -5.981 0.006 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.520 1.520 4.417 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.468 2.402 7.188 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.984 1.871 8.013 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.876 2.812 6.507 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.517 -2.177 5.810 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.650 -3.461 5.131 1.00 0.00 C ATOM 1347 C VAL A 86 -6.099 -3.947 5.158 1.00 0.00 C ATOM 1348 O VAL A 86 -6.483 -4.746 6.013 1.00 0.00 O ATOM 1349 CB VAL A 86 -3.740 -4.527 5.775 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.094 -4.728 7.242 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -3.825 -5.841 5.011 1.00 0.00 C ATOM 0 H VAL A 86 -4.717 -2.206 6.810 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.343 -3.313 4.096 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.711 -4.171 5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.439 -5.484 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.967 -3.788 7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.130 -5.056 7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.175 -6.579 5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.853 -6.203 5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.507 -5.684 3.980 1.00 0.00 H new ATOM 1361 N ILE A 87 -6.903 -3.456 4.219 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.309 -3.839 4.143 1.00 0.00 C ATOM 1363 C ILE A 87 -8.515 -5.042 3.229 1.00 0.00 C ATOM 1364 O ILE A 87 -7.707 -5.308 2.340 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.189 -2.680 3.626 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.749 -2.257 2.222 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.134 -1.499 4.579 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.874 -1.688 1.384 1.00 0.00 C ATOM 0 H ILE A 87 -6.606 -2.794 3.502 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.607 -4.097 5.159 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.220 -3.030 3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.957 -1.513 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.323 -3.119 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.761 -0.693 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.496 -1.806 5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.105 -1.149 4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.491 -1.409 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.657 -2.438 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.285 -0.807 1.877 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.614 -5.755 3.449 1.00 0.00 N ATOM 1381 CA GLU A 88 -9.949 -6.916 2.641 1.00 0.00 C ATOM 1382 C GLU A 88 -11.160 -6.612 1.768 1.00 0.00 C ATOM 1383 O GLU A 88 -12.268 -7.081 2.034 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.233 -8.126 3.530 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.163 -9.449 2.788 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.629 -10.617 3.634 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -10.651 -10.480 4.875 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.970 -11.670 3.056 1.00 0.00 O ATOM 0 H GLU A 88 -10.289 -5.546 4.184 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.098 -7.150 2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.517 -8.140 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.223 -8.018 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.775 -9.390 1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.137 -9.626 2.464 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.940 -5.813 0.730 1.00 0.00 N ATOM 1396 CA HIS A 89 -12.006 -5.424 -0.186 1.00 0.00 C ATOM 1397 C HIS A 89 -12.776 -6.644 -0.692 1.00 0.00 C ATOM 1398 O HIS A 89 -12.177 -7.628 -1.121 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.420 -4.650 -1.366 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.328 -3.586 -1.895 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -13.004 -3.702 -3.091 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.674 -2.380 -1.384 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.727 -2.615 -3.295 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.544 -1.797 -2.273 1.00 0.00 N ATOM 0 H HIS A 89 -10.027 -5.420 0.501 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.704 -4.786 0.357 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.479 -4.193 -1.059 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -11.187 -5.350 -2.169 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.330 -1.956 -0.452 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.359 -2.427 -4.150 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.979 -0.881 -2.162 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.120 -6.593 -0.652 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.963 -7.699 -1.115 1.00 0.00 C ATOM 1415 C PRO A 90 -15.021 -7.780 -2.639 1.00 0.00 C ATOM 1416 O PRO A 90 -15.445 -8.790 -3.200 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.336 -7.353 -0.543 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.342 -5.865 -0.461 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.924 -5.457 -0.159 1.00 0.00 C ATOM 0 HA PRO A 90 -14.585 -8.669 -0.794 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.137 -7.718 -1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.483 -7.805 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.683 -5.425 -1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -17.021 -5.521 0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.658 -4.529 -0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.773 -5.293 0.908 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.592 -6.709 -3.300 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.594 -6.654 -4.757 1.00 0.00 C ATOM 1429 C GLU A 91 -13.332 -7.295 -5.330 1.00 0.00 C ATOM 1430 O GLU A 91 -13.316 -7.734 -6.480 1.00 0.00 O ATOM 1431 CB GLU A 91 -14.702 -5.203 -5.225 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.769 -4.976 -6.282 1.00 0.00 C ATOM 1433 CD GLU A 91 -15.386 -5.555 -7.630 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -15.627 -6.762 -7.849 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -14.845 -4.803 -8.468 1.00 0.00 O ATOM 0 H GLU A 91 -14.238 -5.866 -2.848 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.456 -7.214 -5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.916 -4.569 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.738 -4.887 -5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.705 -5.425 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.949 -3.906 -6.388 1.00 0.00 H new ATOM 1442 N TYR A 92 -12.273 -7.342 -4.524 1.00 0.00 N ATOM 1443 CA TYR A 92 -11.007 -7.924 -4.959 1.00 0.00 C ATOM 1444 C TYR A 92 -10.547 -9.015 -3.996 1.00 0.00 C ATOM 1445 O TYR A 92 -10.263 -10.141 -4.407 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.933 -6.837 -5.069 1.00 0.00 C ATOM 1447 CG TYR A 92 -10.478 -5.482 -5.465 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -11.305 -5.343 -6.571 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -10.168 -4.345 -4.730 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -11.808 -4.109 -6.935 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.668 -3.107 -5.087 1.00 0.00 C ATOM 1452 CZ TYR A 92 -11.487 -2.995 -6.190 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.987 -1.763 -6.549 1.00 0.00 O ATOM 0 H TYR A 92 -12.267 -6.985 -3.569 1.00 0.00 H new ATOM 0 HA TYR A 92 -11.162 -8.374 -5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.420 -6.747 -4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.188 -7.147 -5.802 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -11.559 -6.214 -7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.526 -4.430 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -12.450 -4.018 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.418 -2.232 -4.505 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.666 -1.084 -5.920 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.477 -8.674 -2.714 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.052 -9.632 -1.711 1.00 0.00 C ATOM 1465 C GLY A 93 -9.205 -8.996 -0.628 1.00 0.00 C ATOM 1466 O GLY A 93 -9.727 -8.331 0.263 1.00 0.00 O ATOM 0 H GLY A 93 -10.708 -7.749 -2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.930 -10.093 -1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.485 -10.429 -2.191 1.00 0.00 H new ATOM 1470 N GLU A 94 -7.895 -9.200 -0.704 1.00 0.00 N ATOM 1471 CA GLU A 94 -6.977 -8.637 0.279 1.00 0.00 C ATOM 1472 C GLU A 94 -6.096 -7.565 -0.354 1.00 0.00 C ATOM 1473 O GLU A 94 -4.998 -7.853 -0.829 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.105 -9.738 0.884 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.620 -9.427 2.290 1.00 0.00 C ATOM 1476 CD GLU A 94 -4.431 -8.487 2.301 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -4.647 -7.257 2.252 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -3.285 -8.979 2.361 1.00 0.00 O ATOM 0 H GLU A 94 -7.445 -9.751 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.568 -8.177 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.671 -10.669 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.242 -9.902 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.435 -8.983 2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.349 -10.356 2.791 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.585 -6.329 -0.361 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.840 -5.219 -0.941 1.00 0.00 C ATOM 1487 C VAL A 95 -5.507 -4.167 0.109 1.00 0.00 C ATOM 1488 O VAL A 95 -6.355 -3.792 0.920 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.625 -4.552 -2.088 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.831 -5.532 -3.233 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.958 -4.016 -1.586 1.00 0.00 C ATOM 0 H VAL A 95 -7.492 -6.072 0.028 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.914 -5.636 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.042 -3.710 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.387 -5.044 -4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.862 -5.859 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.392 -6.396 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.496 -3.549 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.552 -4.837 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.782 -3.278 -0.804 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.270 -3.687 0.083 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.828 -2.669 1.025 1.00 0.00 C ATOM 1503 C ILE A 96 -4.412 -1.314 0.640 1.00 0.00 C ATOM 1504 O ILE A 96 -4.679 -1.061 -0.532 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.283 -2.598 1.079 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.746 -3.740 1.952 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.797 -1.242 1.588 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.507 -3.358 3.398 1.00 0.00 C ATOM 0 H ILE A 96 -3.556 -3.987 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.186 -2.939 2.018 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.897 -2.712 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.452 -4.570 1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.811 -4.100 1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.707 -1.231 1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.153 -0.455 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.183 -1.071 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.128 -4.222 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.777 -2.550 3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.444 -3.027 3.846 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.621 -0.455 1.630 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.190 0.865 1.380 1.00 0.00 C ATOM 1522 C GLN A 97 -4.282 1.968 1.910 1.00 0.00 C ATOM 1523 O GLN A 97 -4.188 2.184 3.118 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.574 0.979 2.027 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.686 1.307 1.043 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.976 1.700 1.735 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.048 1.745 2.964 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -10.006 1.988 0.947 1.00 0.00 N ATOM 0 H GLN A 97 -4.407 -0.646 2.609 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.285 0.987 0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.809 0.040 2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.543 1.751 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.364 2.121 0.393 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.869 0.443 0.405 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.902 1.938 -0.066 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.900 2.259 1.355 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.628 2.675 0.997 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.741 3.769 1.366 1.00 0.00 C ATOM 1539 C LEU A 98 -3.495 5.090 1.321 1.00 0.00 C ATOM 1540 O LEU A 98 -4.515 5.203 0.647 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.543 3.829 0.423 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.535 2.693 0.583 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.473 2.716 -0.556 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.169 2.795 1.928 1.00 0.00 C ATOM 0 H LEU A 98 -3.696 2.509 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.381 3.593 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.908 3.828 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.027 4.777 0.577 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.070 1.744 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.185 1.901 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.048 2.597 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.006 3.667 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.884 1.978 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.695 3.748 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.567 2.732 2.730 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.989 6.086 2.036 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.626 7.398 2.062 1.00 0.00 C ATOM 1558 C GLN A 99 -2.977 8.338 1.051 1.00 0.00 C ATOM 1559 O GLN A 99 -1.752 8.441 0.982 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.550 8.003 3.467 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.911 8.265 4.090 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.471 9.623 3.715 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -4.724 10.570 3.471 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.795 9.724 3.668 1.00 0.00 N ATOM 0 H GLN A 99 -2.144 6.013 2.603 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.674 7.270 1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.987 7.330 4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.994 8.940 3.421 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.607 7.489 3.773 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.829 8.196 5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.376 8.912 3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.230 10.613 3.422 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.806 9.019 0.268 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.296 9.940 -0.731 1.00 0.00 C ATOM 1575 C GLY A 100 -2.937 9.240 -2.027 1.00 0.00 C ATOM 1576 O GLY A 100 -2.990 8.014 -2.112 1.00 0.00 O ATOM 0 H GLY A 100 -4.823 8.950 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.044 10.708 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.415 10.448 -0.338 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.566 10.019 -3.038 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.193 9.459 -4.331 1.00 0.00 C ATOM 1582 C ASP A 101 -0.772 8.905 -4.287 1.00 0.00 C ATOM 1583 O ASP A 101 0.164 9.518 -4.802 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.312 10.515 -5.433 1.00 0.00 C ATOM 1585 CG ASP A 101 -3.515 11.421 -5.247 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -3.597 12.092 -4.198 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -4.377 11.457 -6.152 1.00 0.00 O ATOM 0 H ASP A 101 -2.516 11.036 -2.987 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.879 8.643 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.406 11.120 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.382 10.018 -6.401 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.623 7.740 -3.666 1.00 0.00 N ATOM 1593 CA GLN A 102 0.672 7.088 -3.541 1.00 0.00 C ATOM 1594 C GLN A 102 0.949 6.190 -4.743 1.00 0.00 C ATOM 1595 O GLN A 102 1.914 5.430 -4.744 1.00 0.00 O ATOM 1596 CB GLN A 102 0.716 6.255 -2.256 1.00 0.00 C ATOM 1597 CG GLN A 102 1.362 6.967 -1.076 1.00 0.00 C ATOM 1598 CD GLN A 102 0.930 8.415 -0.950 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.353 8.670 -1.175 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.740 9.293 -0.653 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.392 7.225 -3.238 1.00 0.00 H new ATOM 0 HA GLN A 102 1.440 7.861 -3.502 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.301 5.973 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.261 5.332 -2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.111 6.437 -0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.446 6.925 -1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.717 9.051 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.434 10.263 -0.571 1.00 0.00 H new ATOM 1609 N ARG A 103 0.100 6.280 -5.766 1.00 0.00 N ATOM 1610 CA ARG A 103 0.259 5.471 -6.971 1.00 0.00 C ATOM 1611 C ARG A 103 1.707 5.479 -7.453 1.00 0.00 C ATOM 1612 O ARG A 103 2.174 4.519 -8.066 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.660 5.990 -8.078 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.384 7.434 -8.469 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.306 7.602 -9.978 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.511 8.222 -10.524 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.580 8.771 -11.734 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.517 8.777 -12.529 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.715 9.314 -12.152 1.00 0.00 N ATOM 0 H ARG A 103 -0.705 6.906 -5.783 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.014 4.445 -6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.549 5.356 -8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.696 5.902 -7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.170 8.076 -8.071 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.553 7.761 -8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.561 8.212 -10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.157 6.628 -10.444 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.349 8.235 -9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.358 8.359 -12.213 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.576 9.199 -13.456 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.535 9.311 -11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.768 9.735 -13.080 1.00 0.00 H new ATOM 1633 N LYS A 104 2.414 6.567 -7.168 1.00 0.00 N ATOM 1634 CA LYS A 104 3.809 6.700 -7.568 1.00 0.00 C ATOM 1635 C LYS A 104 4.747 6.321 -6.425 1.00 0.00 C ATOM 1636 O LYS A 104 5.901 5.958 -6.655 1.00 0.00 O ATOM 1637 CB LYS A 104 4.095 8.132 -8.024 1.00 0.00 C ATOM 1638 CG LYS A 104 5.365 8.266 -8.850 1.00 0.00 C ATOM 1639 CD LYS A 104 6.206 9.448 -8.395 1.00 0.00 C ATOM 1640 CE LYS A 104 7.107 9.076 -7.229 1.00 0.00 C ATOM 1641 NZ LYS A 104 8.416 8.535 -7.690 1.00 0.00 N ATOM 0 H LYS A 104 2.043 7.370 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 104 3.987 6.017 -8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.250 8.493 -8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.172 8.775 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.950 7.350 -8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.105 8.387 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.814 9.804 -9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.552 10.270 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.276 9.954 -6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.607 8.335 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.002 8.293 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.257 7.682 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.905 9.251 -8.264 1.00 0.00 H new ATOM 1655 N ASN A 105 4.253 6.409 -5.192 1.00 0.00 N ATOM 1656 CA ASN A 105 5.062 6.076 -4.023 1.00 0.00 C ATOM 1657 C ASN A 105 4.991 4.584 -3.709 1.00 0.00 C ATOM 1658 O ASN A 105 5.972 3.987 -3.268 1.00 0.00 O ATOM 1659 CB ASN A 105 4.600 6.886 -2.810 1.00 0.00 C ATOM 1660 CG ASN A 105 5.257 8.251 -2.742 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.453 8.364 -2.472 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.477 9.296 -2.988 1.00 0.00 N ATOM 0 H ASN A 105 3.301 6.707 -4.978 1.00 0.00 H new ATOM 0 HA ASN A 105 6.098 6.329 -4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.518 7.008 -2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.825 6.332 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.864 10.239 -2.957 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.491 9.156 -3.208 1.00 0.00 H new ATOM 1669 N ILE A 106 3.826 3.985 -3.936 1.00 0.00 N ATOM 1670 CA ILE A 106 3.644 2.564 -3.673 1.00 0.00 C ATOM 1671 C ILE A 106 4.510 1.726 -4.607 1.00 0.00 C ATOM 1672 O ILE A 106 5.221 0.825 -4.160 1.00 0.00 O ATOM 1673 CB ILE A 106 2.169 2.145 -3.809 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.998 0.678 -3.412 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.669 2.385 -5.224 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.465 0.375 -2.004 1.00 0.00 C ATOM 0 H ILE A 106 2.999 4.459 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 106 3.954 2.384 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 106 1.570 2.757 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.947 0.405 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.552 0.053 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.625 2.082 -5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.757 3.444 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.266 1.801 -5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.314 -0.683 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.524 0.616 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.894 0.973 -1.294 1.00 0.00 H new ATOM 1688 N CYS A 107 4.474 2.040 -5.901 1.00 0.00 N ATOM 1689 CA CYS A 107 5.288 1.321 -6.875 1.00 0.00 C ATOM 1690 C CYS A 107 6.751 1.389 -6.454 1.00 0.00 C ATOM 1691 O CYS A 107 7.527 0.459 -6.678 1.00 0.00 O ATOM 1692 CB CYS A 107 5.113 1.926 -8.270 1.00 0.00 C ATOM 1693 SG CYS A 107 3.681 1.294 -9.174 1.00 0.00 S ATOM 0 H CYS A 107 3.895 2.781 -6.295 1.00 0.00 H new ATOM 0 HA CYS A 107 4.967 0.280 -6.911 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.021 3.008 -8.176 1.00 0.00 H new ATOM 0 HB3 CYS A 107 6.013 1.732 -8.854 1.00 0.00 H new ATOM 0 HG CYS A 107 4.048 0.925 -10.365 1.00 0.00 H new ATOM 1699 N GLN A 108 7.102 2.499 -5.812 1.00 0.00 N ATOM 1700 CA GLN A 108 8.453 2.714 -5.316 1.00 0.00 C ATOM 1701 C GLN A 108 8.734 1.765 -4.160 1.00 0.00 C ATOM 1702 O GLN A 108 9.799 1.155 -4.080 1.00 0.00 O ATOM 1703 CB GLN A 108 8.612 4.159 -4.836 1.00 0.00 C ATOM 1704 CG GLN A 108 9.115 5.113 -5.903 1.00 0.00 C ATOM 1705 CD GLN A 108 10.483 4.729 -6.436 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.371 4.303 -5.543 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 10.739 4.815 -7.636 1.00 0.00 N flip ATOM 0 H GLN A 108 6.461 3.269 -5.623 1.00 0.00 H new ATOM 0 HA GLN A 108 9.159 2.524 -6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.650 4.516 -4.468 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.302 4.177 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.402 5.137 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.160 6.121 -5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.027 5.147 -8.287 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.663 4.554 -7.980 1.00 0.00 H new ATOM 1716 N PHE A 109 7.759 1.656 -3.268 1.00 0.00 N ATOM 1717 CA PHE A 109 7.864 0.796 -2.101 1.00 0.00 C ATOM 1718 C PHE A 109 8.044 -0.662 -2.504 1.00 0.00 C ATOM 1719 O PHE A 109 9.003 -1.316 -2.098 1.00 0.00 O ATOM 1720 CB PHE A 109 6.611 0.945 -1.240 1.00 0.00 C ATOM 1721 CG PHE A 109 6.685 0.219 0.071 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.568 0.631 1.054 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.865 -0.868 0.321 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.634 -0.029 2.263 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.925 -1.533 1.529 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.812 -1.112 2.502 1.00 0.00 C ATOM 0 H PHE A 109 6.875 2.161 -3.334 1.00 0.00 H new ATOM 0 HA PHE A 109 8.741 1.100 -1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.437 2.004 -1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.751 0.577 -1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.212 1.479 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.171 -1.199 -0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.328 0.301 3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.281 -2.380 1.713 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.862 -1.630 3.448 1.00 0.00 H new ATOM 1736 N LEU A 110 7.110 -1.167 -3.304 1.00 0.00 N ATOM 1737 CA LEU A 110 7.156 -2.551 -3.762 1.00 0.00 C ATOM 1738 C LEU A 110 8.506 -2.874 -4.394 1.00 0.00 C ATOM 1739 O LEU A 110 8.961 -4.016 -4.361 1.00 0.00 O ATOM 1740 CB LEU A 110 6.035 -2.810 -4.770 1.00 0.00 C ATOM 1741 CG LEU A 110 4.672 -3.145 -4.160 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.349 -2.199 -3.013 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.585 -3.083 -5.223 1.00 0.00 C ATOM 0 H LEU A 110 6.310 -0.637 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 110 7.018 -3.199 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.925 -1.928 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.336 -3.632 -5.420 1.00 0.00 H new ATOM 0 HG LEU A 110 4.713 -4.160 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.376 -2.455 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.112 -2.290 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.327 -1.174 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.622 -3.324 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.547 -2.079 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.806 -3.801 -6.012 1.00 0.00 H new ATOM 1755 N VAL A 111 9.137 -1.859 -4.971 1.00 0.00 N ATOM 1756 CA VAL A 111 10.432 -2.031 -5.612 1.00 0.00 C ATOM 1757 C VAL A 111 11.573 -1.723 -4.644 1.00 0.00 C ATOM 1758 O VAL A 111 12.677 -2.247 -4.785 1.00 0.00 O ATOM 1759 CB VAL A 111 10.554 -1.128 -6.855 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.928 -1.270 -7.499 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.456 -1.453 -7.855 1.00 0.00 C ATOM 0 H VAL A 111 8.771 -0.907 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 111 10.506 -3.074 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 111 10.438 -0.092 -6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.988 -0.623 -8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.697 -0.984 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.082 -2.305 -7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.555 -0.807 -8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.542 -2.495 -8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.483 -1.290 -7.392 1.00 0.00 H new ATOM 1771 N GLU A 112 11.298 -0.870 -3.663 1.00 0.00 N ATOM 1772 CA GLU A 112 12.300 -0.494 -2.672 1.00 0.00 C ATOM 1773 C GLU A 112 12.506 -1.610 -1.654 1.00 0.00 C ATOM 1774 O GLU A 112 13.637 -1.938 -1.297 1.00 0.00 O ATOM 1775 CB GLU A 112 11.879 0.791 -1.955 1.00 0.00 C ATOM 1776 CG GLU A 112 12.041 2.043 -2.801 1.00 0.00 C ATOM 1777 CD GLU A 112 13.212 2.900 -2.358 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.301 2.339 -2.117 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.038 4.132 -2.252 1.00 0.00 O ATOM 0 H GLU A 112 10.389 -0.426 -3.533 1.00 0.00 H new ATOM 0 HA GLU A 112 13.242 -0.323 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.836 0.702 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.469 0.899 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.179 1.757 -3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.125 2.632 -2.751 1.00 0.00 H new ATOM 1786 N ILE A 113 11.404 -2.187 -1.187 1.00 0.00 N ATOM 1787 CA ILE A 113 11.459 -3.265 -0.206 1.00 0.00 C ATOM 1788 C ILE A 113 11.594 -4.633 -0.877 1.00 0.00 C ATOM 1789 O ILE A 113 11.854 -5.636 -0.212 1.00 0.00 O ATOM 1790 CB ILE A 113 10.205 -3.263 0.697 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.988 -3.797 -0.067 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.933 -1.859 1.217 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.709 -3.802 0.744 1.00 0.00 C ATOM 0 H ILE A 113 10.460 -1.926 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 113 12.343 -3.086 0.406 1.00 0.00 H new ATOM 0 HB ILE A 113 10.390 -3.920 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.838 -3.191 -0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.198 -4.813 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.047 -1.871 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.789 -1.513 1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.768 -1.185 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.894 -4.193 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.839 -4.431 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.473 -2.785 1.057 1.00 0.00 H new ATOM 1805 N GLY A 114 11.401 -4.672 -2.194 1.00 0.00 N ATOM 1806 CA GLY A 114 11.493 -5.927 -2.917 1.00 0.00 C ATOM 1807 C GLY A 114 10.233 -6.756 -2.767 1.00 0.00 C ATOM 1808 O GLY A 114 10.290 -7.983 -2.683 1.00 0.00 O ATOM 0 H GLY A 114 11.183 -3.859 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.672 -5.726 -3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.348 -6.496 -2.551 1.00 0.00 H new ATOM 1812 N LEU A 115 9.092 -6.076 -2.725 1.00 0.00 N ATOM 1813 CA LEU A 115 7.802 -6.741 -2.573 1.00 0.00 C ATOM 1814 C LEU A 115 7.269 -7.222 -3.919 1.00 0.00 C ATOM 1815 O LEU A 115 7.284 -8.418 -4.210 1.00 0.00 O ATOM 1816 CB LEU A 115 6.801 -5.787 -1.919 1.00 0.00 C ATOM 1817 CG LEU A 115 5.905 -6.414 -0.853 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.735 -7.129 0.206 1.00 0.00 C ATOM 1819 CD2 LEU A 115 5.020 -5.353 -0.221 1.00 0.00 C ATOM 0 H LEU A 115 9.034 -5.060 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 115 7.939 -7.614 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.352 -4.962 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.168 -5.360 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 115 5.268 -7.157 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.073 -7.567 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.323 -7.917 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.404 -6.415 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.386 -5.813 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.643 -4.588 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.395 -4.896 -0.988 1.00 0.00 H new ATOM 1831 N ALA A 116 6.803 -6.285 -4.738 1.00 0.00 N ATOM 1832 CA ALA A 116 6.271 -6.620 -6.051 1.00 0.00 C ATOM 1833 C ALA A 116 7.401 -6.740 -7.071 1.00 0.00 C ATOM 1834 O ALA A 116 8.568 -6.867 -6.701 1.00 0.00 O ATOM 1835 CB ALA A 116 5.261 -5.573 -6.496 1.00 0.00 C ATOM 0 H ALA A 116 6.784 -5.290 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 116 5.765 -7.583 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.872 -5.837 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.440 -5.532 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.746 -4.598 -6.548 1.00 0.00 H new ATOM 1841 N LYS A 117 7.054 -6.690 -8.352 1.00 0.00 N ATOM 1842 CA LYS A 117 8.047 -6.782 -9.416 1.00 0.00 C ATOM 1843 C LYS A 117 7.951 -5.575 -10.339 1.00 0.00 C ATOM 1844 O LYS A 117 6.867 -5.028 -10.548 1.00 0.00 O ATOM 1845 CB LYS A 117 7.858 -8.071 -10.215 1.00 0.00 C ATOM 1846 CG LYS A 117 8.979 -9.081 -10.019 1.00 0.00 C ATOM 1847 CD LYS A 117 9.240 -9.355 -8.544 1.00 0.00 C ATOM 1848 CE LYS A 117 10.662 -8.988 -8.151 1.00 0.00 C ATOM 1849 NZ LYS A 117 11.602 -10.126 -8.345 1.00 0.00 N ATOM 0 H LYS A 117 6.093 -6.586 -8.679 1.00 0.00 H new ATOM 0 HA LYS A 117 9.037 -6.796 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.912 -8.531 -9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.784 -7.824 -11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.721 -10.013 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.890 -8.708 -10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.536 -8.786 -7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.064 -10.410 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.995 -8.137 -8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.681 -8.675 -7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.561 -9.836 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.299 -10.930 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.603 -10.408 -9.346 1.00 0.00 H new ATOM 1863 N ASP A 118 9.085 -5.160 -10.893 1.00 0.00 N ATOM 1864 CA ASP A 118 9.109 -4.015 -11.794 1.00 0.00 C ATOM 1865 C ASP A 118 8.198 -4.261 -12.989 1.00 0.00 C ATOM 1866 O ASP A 118 7.592 -3.333 -13.526 1.00 0.00 O ATOM 1867 CB ASP A 118 10.535 -3.726 -12.267 1.00 0.00 C ATOM 1868 CG ASP A 118 11.110 -4.852 -13.104 1.00 0.00 C ATOM 1869 OD1 ASP A 118 10.656 -6.005 -12.942 1.00 0.00 O ATOM 1870 OD2 ASP A 118 12.012 -4.581 -13.923 1.00 0.00 O ATOM 0 H ASP A 118 9.993 -5.596 -10.735 1.00 0.00 H new ATOM 0 HA ASP A 118 8.745 -3.145 -11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.541 -2.805 -12.850 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.175 -3.559 -11.400 1.00 0.00 H new ATOM 1875 N ASP A 119 8.093 -5.523 -13.390 1.00 0.00 N ATOM 1876 CA ASP A 119 7.240 -5.900 -14.508 1.00 0.00 C ATOM 1877 C ASP A 119 5.789 -6.000 -14.050 1.00 0.00 C ATOM 1878 O ASP A 119 4.862 -5.794 -14.833 1.00 0.00 O ATOM 1879 CB ASP A 119 7.696 -7.234 -15.101 1.00 0.00 C ATOM 1880 CG ASP A 119 7.194 -7.439 -16.517 1.00 0.00 C ATOM 1881 OD1 ASP A 119 6.140 -6.864 -16.861 1.00 0.00 O ATOM 1882 OD2 ASP A 119 7.855 -8.173 -17.281 1.00 0.00 O ATOM 0 H ASP A 119 8.589 -6.302 -12.956 1.00 0.00 H new ATOM 0 HA ASP A 119 7.316 -5.132 -15.278 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.785 -7.278 -15.095 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.340 -8.049 -14.471 1.00 0.00 H new ATOM 1887 N GLN A 120 5.606 -6.311 -12.770 1.00 0.00 N ATOM 1888 CA GLN A 120 4.274 -6.431 -12.192 1.00 0.00 C ATOM 1889 C GLN A 120 3.701 -5.061 -11.839 1.00 0.00 C ATOM 1890 O GLN A 120 2.533 -4.948 -11.469 1.00 0.00 O ATOM 1891 CB GLN A 120 4.317 -7.306 -10.939 1.00 0.00 C ATOM 1892 CG GLN A 120 4.722 -8.746 -11.208 1.00 0.00 C ATOM 1893 CD GLN A 120 4.643 -9.607 -9.963 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.497 -9.569 -9.291 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.597 -10.298 -9.608 1.00 0.00 N flip ATOM 0 H GLN A 120 6.367 -6.485 -12.113 1.00 0.00 H new ATOM 0 HA GLN A 120 3.628 -6.895 -12.937 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.016 -6.869 -10.226 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.334 -7.297 -10.467 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.075 -9.165 -11.979 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.739 -8.768 -11.599 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.459 -10.297 -10.154 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.526 -10.872 -8.768 1.00 0.00 H new ATOM 1904 N LEU A 121 4.528 -4.022 -11.951 1.00 0.00 N ATOM 1905 CA LEU A 121 4.098 -2.663 -11.640 1.00 0.00 C ATOM 1906 C LEU A 121 2.849 -2.291 -12.431 1.00 0.00 C ATOM 1907 O LEU A 121 2.936 -1.730 -13.523 1.00 0.00 O ATOM 1908 CB LEU A 121 5.223 -1.669 -11.939 1.00 0.00 C ATOM 1909 CG LEU A 121 6.403 -1.717 -10.968 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.602 -0.975 -11.543 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.009 -1.131 -9.618 1.00 0.00 C ATOM 0 H LEU A 121 5.499 -4.097 -12.255 1.00 0.00 H new ATOM 0 HA LEU A 121 3.857 -2.619 -10.578 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.594 -1.855 -12.947 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.808 -0.661 -11.933 1.00 0.00 H new ATOM 0 HG LEU A 121 6.684 -2.760 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.431 -1.021 -10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.900 -1.439 -12.483 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.334 0.066 -11.721 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.861 -1.174 -8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.700 -0.094 -9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.183 -1.706 -9.199 1.00 0.00 H new ATOM 1923 N LYS A 122 1.687 -2.613 -11.872 1.00 0.00 N ATOM 1924 CA LYS A 122 0.418 -2.319 -12.524 1.00 0.00 C ATOM 1925 C LYS A 122 -0.292 -1.156 -11.838 1.00 0.00 C ATOM 1926 O LYS A 122 -1.250 -1.356 -11.092 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.480 -3.557 -12.521 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.418 -4.351 -13.814 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.018 -3.574 -14.975 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.217 -3.775 -16.252 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.536 -2.745 -17.278 1.00 0.00 N ATOM 0 H LYS A 122 1.599 -3.078 -10.968 1.00 0.00 H new ATOM 0 HA LYS A 122 0.626 -2.034 -13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.192 -4.204 -11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.510 -3.249 -12.342 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.619 -4.601 -14.039 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.953 -5.293 -13.690 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.047 -3.894 -15.136 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.049 -2.513 -14.727 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.848 -3.740 -16.021 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.423 -4.766 -16.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.031 -2.919 -18.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.547 -2.795 -17.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.316 -1.801 -16.902 1.00 0.00 H new ATOM 1945 N VAL A 123 0.184 0.057 -12.095 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.410 1.248 -11.500 1.00 0.00 C ATOM 1947 C VAL A 123 -1.543 1.787 -12.365 1.00 0.00 C ATOM 1948 O VAL A 123 -1.330 2.180 -13.512 1.00 0.00 O ATOM 1949 CB VAL A 123 0.641 2.357 -11.289 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.164 2.870 -12.622 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.058 3.493 -10.463 1.00 0.00 C ATOM 0 H VAL A 123 0.977 0.241 -12.709 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.809 0.952 -10.530 1.00 0.00 H new ATOM 0 HB VAL A 123 1.482 1.931 -10.741 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.904 3.651 -12.446 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.626 2.050 -13.172 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.338 3.277 -13.205 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.813 4.267 -10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.803 3.915 -10.981 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.255 3.112 -9.491 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.751 1.794 -11.812 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.918 2.280 -12.538 1.00 0.00 C ATOM 1963 C HIS A 124 -4.509 3.516 -11.867 1.00 0.00 C ATOM 1964 O HIS A 124 -5.494 3.426 -11.135 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.977 1.181 -12.629 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.499 -0.055 -13.325 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.782 -0.334 -14.646 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.750 -1.091 -12.877 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -4.230 -1.487 -14.979 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.598 -1.965 -13.924 1.00 0.00 N ATOM 0 H HIS A 124 -2.947 1.469 -10.865 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.598 2.557 -13.543 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.303 0.918 -11.623 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.849 1.570 -13.155 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.332 0.258 -15.269 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.348 -1.207 -11.882 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.286 -1.958 -15.949 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.905 4.674 -12.127 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.391 5.911 -11.545 1.00 0.00 C ATOM 1981 C GLY A 125 -5.863 6.141 -11.830 1.00 0.00 C ATOM 1982 O GLY A 125 -6.268 6.250 -12.988 1.00 0.00 O ATOM 0 H GLY A 125 -3.089 4.776 -12.730 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.231 5.891 -10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.812 6.747 -11.938 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.666 6.208 -10.773 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.104 6.418 -10.911 1.00 0.00 C ATOM 1988 C PHE A 126 -8.406 7.575 -11.865 1.00 0.00 C ATOM 1989 O PHE A 126 -9.464 7.531 -12.529 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.733 6.673 -9.533 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.901 8.128 -9.190 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.807 8.905 -8.842 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -10.156 8.716 -9.219 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.963 10.242 -8.531 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -10.316 10.052 -8.909 1.00 0.00 C ATOM 1996 CZ PHE A 126 -9.219 10.816 -8.565 1.00 0.00 C ATOM 1997 OXT PHE A 126 -7.585 8.513 -11.937 1.00 0.00 O ATOM 0 H PHE A 126 -6.345 6.120 -9.809 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.542 5.516 -11.337 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.708 6.188 -9.496 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.113 6.201 -8.771 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.823 8.461 -8.814 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -11.018 8.123 -9.487 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.104 10.838 -8.261 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -11.299 10.499 -8.936 1.00 0.00 H new ATOM 0 HZ PHE A 126 -9.343 11.861 -8.323 1.00 0.00 H new