USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 55 THR OG1 : rot 110:sc= 0.418 USER MOD Set 1.2: A 57 SER OG : rot -88:sc= 0.891 USER MOD Single : A 1 MET CE :methyl 173:sc= -0.566 (180deg=-0.608) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.872 (180deg=0.871) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -78:sc= 0.626 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 1.31 (180deg=1.1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.33 (180deg=1.21) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 1.15 (180deg=1) USER MOD Single : A 31 GLN : amide:sc= -0.794 K(o=-0.79,f=-0.25) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00632 K(o=-0.0063,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= 0.557 K(o=0.56,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.673 K(o=0.67,f=-0.97) USER MOD Single : A 59 TYR OH : rot 150:sc= 0.245 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=0.63) USER MOD Single : A 62 GLN : amide:sc= -0.0501 K(o=-0.05,f=-3.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 78:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 68 HIS : no HE2:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.889 31.086 16.155 1.00 0.00 N ATOM 2 CA MET A 1 13.159 30.785 17.574 1.00 0.00 C ATOM 3 C MET A 1 14.482 31.433 17.987 1.00 0.00 C ATOM 4 O MET A 1 15.252 31.827 17.126 1.00 0.00 O ATOM 5 CB MET A 1 13.302 29.276 17.776 1.00 0.00 C ATOM 6 CG MET A 1 13.207 28.718 19.204 1.00 0.00 C ATOM 7 SD MET A 1 13.266 26.908 19.262 1.00 0.00 S ATOM 8 CE MET A 1 15.000 26.552 19.626 1.00 0.00 C ATOM 0 H1 MET A 1 11.982 30.661 15.876 1.00 0.00 H new ATOM 0 H2 MET A 1 12.844 32.116 16.021 1.00 0.00 H new ATOM 0 H3 MET A 1 13.651 30.693 15.566 1.00 0.00 H new ATOM 0 HA MET A 1 12.332 31.168 18.171 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.534 28.787 17.177 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.266 28.976 17.366 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.024 29.122 19.801 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.279 29.061 19.661 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.122 25.484 19.806 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.618 26.850 18.779 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.307 27.107 20.513 1.00 0.00 H new ATOM 20 N GLN A 2 14.708 31.625 19.287 1.00 0.00 N ATOM 21 CA GLN A 2 15.842 32.287 19.910 1.00 0.00 C ATOM 22 C GLN A 2 16.565 31.440 20.950 1.00 0.00 C ATOM 23 O GLN A 2 15.934 30.648 21.646 1.00 0.00 O ATOM 24 CB GLN A 2 15.304 33.593 20.476 1.00 0.00 C ATOM 25 CG GLN A 2 14.496 34.412 19.457 1.00 0.00 C ATOM 26 CD GLN A 2 14.468 35.913 19.663 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.571 36.430 20.776 1.00 0.00 O ATOM 28 NE2 GLN A 2 14.157 36.662 18.610 1.00 0.00 N ATOM 0 H GLN A 2 14.043 31.291 19.985 1.00 0.00 H new ATOM 0 HA GLN A 2 16.622 32.468 19.170 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.673 33.375 21.338 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.138 34.195 20.836 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.898 34.212 18.464 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.469 34.048 19.465 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.071 36.235 17.688 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.004 37.664 18.724 1.00 0.00 H new ATOM 37 N ILE A 3 17.896 31.436 21.041 1.00 0.00 N ATOM 38 CA ILE A 3 18.736 30.797 22.028 1.00 0.00 C ATOM 39 C ILE A 3 19.756 31.869 22.430 1.00 0.00 C ATOM 40 O ILE A 3 19.952 32.862 21.725 1.00 0.00 O ATOM 41 CB ILE A 3 19.218 29.404 21.627 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.080 29.450 20.356 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.238 28.235 21.582 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.702 28.111 19.983 1.00 0.00 C ATOM 0 H ILE A 3 18.459 31.933 20.351 1.00 0.00 H new ATOM 0 HA ILE A 3 18.208 30.494 22.932 1.00 0.00 H new ATOM 0 HB ILE A 3 19.806 29.144 22.507 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.466 29.798 19.525 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.875 30.183 20.494 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.764 27.331 21.277 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.804 28.086 22.571 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.445 28.452 20.866 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.295 28.225 19.076 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.344 27.769 20.795 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.913 27.379 19.811 1.00 0.00 H new ATOM 56 N PHE A 4 20.626 31.446 23.334 1.00 0.00 N ATOM 57 CA PHE A 4 21.826 32.201 23.647 1.00 0.00 C ATOM 58 C PHE A 4 22.946 31.165 23.640 1.00 0.00 C ATOM 59 O PHE A 4 22.733 29.971 23.808 1.00 0.00 O ATOM 60 CB PHE A 4 21.721 32.900 25.002 1.00 0.00 C ATOM 61 CG PHE A 4 20.423 33.674 25.129 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.104 34.758 24.303 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.461 33.304 26.076 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.863 35.403 24.342 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.242 33.989 26.186 1.00 0.00 C ATOM 66 CZ PHE A 4 17.918 35.016 25.308 1.00 0.00 C ATOM 0 H PHE A 4 20.522 30.581 23.864 1.00 0.00 H new ATOM 0 HA PHE A 4 22.000 33.001 22.928 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.784 32.160 25.800 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.564 33.579 25.129 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.848 35.112 23.605 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.662 32.473 26.736 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.634 36.189 23.638 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.545 33.714 26.964 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.958 35.508 25.367 1.00 0.00 H new ATOM 76 N VAL A 5 24.149 31.711 23.501 1.00 0.00 N ATOM 77 CA VAL A 5 25.344 30.925 23.759 1.00 0.00 C ATOM 78 C VAL A 5 26.189 31.772 24.709 1.00 0.00 C ATOM 79 O VAL A 5 26.478 32.951 24.494 1.00 0.00 O ATOM 80 CB VAL A 5 26.095 30.525 22.493 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.460 29.840 22.576 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.135 29.964 21.440 1.00 0.00 C ATOM 0 H VAL A 5 24.319 32.676 23.217 1.00 0.00 H new ATOM 0 HA VAL A 5 25.086 29.964 24.204 1.00 0.00 H new ATOM 0 HB VAL A 5 26.488 31.483 22.152 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.827 29.638 21.570 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.163 30.492 23.095 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.364 28.902 23.123 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.696 29.687 20.547 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.630 29.084 21.840 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.395 30.721 21.182 1.00 0.00 H new ATOM 92 N LYS A 6 26.800 31.063 25.650 1.00 0.00 N ATOM 93 CA LYS A 6 27.716 31.578 26.649 1.00 0.00 C ATOM 94 C LYS A 6 29.109 31.066 26.272 1.00 0.00 C ATOM 95 O LYS A 6 29.297 29.859 26.166 1.00 0.00 O ATOM 96 CB LYS A 6 27.218 31.131 28.023 1.00 0.00 C ATOM 97 CG LYS A 6 27.966 31.783 29.181 1.00 0.00 C ATOM 98 CD LYS A 6 27.677 31.068 30.508 1.00 0.00 C ATOM 99 CE LYS A 6 28.690 31.577 31.530 1.00 0.00 C ATOM 100 NZ LYS A 6 28.557 30.894 32.826 1.00 0.00 N ATOM 0 H LYS A 6 26.659 30.057 25.738 1.00 0.00 H new ATOM 0 HA LYS A 6 27.769 32.666 26.689 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.157 31.363 28.109 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.315 30.048 28.102 1.00 0.00 H new ATOM 0 HG2 LYS A 6 29.037 31.763 28.981 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.676 32.831 29.260 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.660 31.273 30.841 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.762 29.988 30.389 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.699 31.430 31.145 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.556 32.650 31.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 29.263 31.270 33.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.603 31.055 33.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 28.711 29.873 32.698 1.00 0.00 H new ATOM 114 N THR A 7 30.070 31.970 26.163 1.00 0.00 N ATOM 115 CA THR A 7 31.491 31.701 26.104 1.00 0.00 C ATOM 116 C THR A 7 32.090 31.434 27.488 1.00 0.00 C ATOM 117 O THR A 7 31.567 31.786 28.549 1.00 0.00 O ATOM 118 CB THR A 7 32.172 32.870 25.381 1.00 0.00 C ATOM 119 OG1 THR A 7 31.985 34.080 26.084 1.00 0.00 O ATOM 120 CG2 THR A 7 31.658 33.156 23.973 1.00 0.00 C ATOM 0 H THR A 7 29.863 32.967 26.111 1.00 0.00 H new ATOM 0 HA THR A 7 31.665 30.783 25.543 1.00 0.00 H new ATOM 0 HB THR A 7 33.212 32.548 25.328 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.085 34.425 25.907 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.204 33.999 23.551 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.806 32.277 23.346 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.596 33.396 24.015 1.00 0.00 H new ATOM 128 N LEU A 8 33.354 31.041 27.514 1.00 0.00 N ATOM 129 CA LEU A 8 34.044 30.897 28.783 1.00 0.00 C ATOM 130 C LEU A 8 34.498 32.242 29.340 1.00 0.00 C ATOM 131 O LEU A 8 34.401 32.438 30.561 1.00 0.00 O ATOM 132 CB LEU A 8 35.343 30.107 28.576 1.00 0.00 C ATOM 133 CG LEU A 8 35.021 28.646 28.277 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.160 27.869 27.615 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.474 27.879 29.473 1.00 0.00 C ATOM 0 H LEU A 8 33.912 30.821 26.689 1.00 0.00 H new ATOM 0 HA LEU A 8 33.342 30.408 29.458 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.914 30.538 27.754 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.967 30.176 29.467 1.00 0.00 H new ATOM 0 HG LEU A 8 34.221 28.719 27.541 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.845 26.841 27.439 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.416 28.338 26.665 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.032 27.874 28.269 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.269 26.849 29.182 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.208 27.889 30.279 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.552 28.349 29.816 1.00 0.00 H new ATOM 147 N THR A 9 34.832 33.223 28.513 1.00 0.00 N ATOM 148 CA THR A 9 35.025 34.595 28.922 1.00 0.00 C ATOM 149 C THR A 9 33.777 35.303 29.472 1.00 0.00 C ATOM 150 O THR A 9 33.961 36.225 30.252 1.00 0.00 O ATOM 151 CB THR A 9 35.675 35.374 27.788 1.00 0.00 C ATOM 152 OG1 THR A 9 36.023 36.698 28.152 1.00 0.00 O ATOM 153 CG2 THR A 9 34.864 35.462 26.494 1.00 0.00 C ATOM 0 H THR A 9 34.979 33.076 27.514 1.00 0.00 H new ATOM 0 HA THR A 9 35.692 34.565 29.784 1.00 0.00 H new ATOM 0 HB THR A 9 36.564 34.774 27.593 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.437 37.149 27.387 1.00 0.00 H new ATOM 0 HG21 THR A 9 35.420 36.038 25.755 1.00 0.00 H new ATOM 0 HG22 THR A 9 34.682 34.458 26.110 1.00 0.00 H new ATOM 0 HG23 THR A 9 33.911 35.952 26.694 1.00 0.00 H new ATOM 161 N GLY A 10 32.590 34.789 29.134 1.00 0.00 N ATOM 162 CA GLY A 10 31.387 35.239 29.796 1.00 0.00 C ATOM 163 C GLY A 10 30.613 36.167 28.860 1.00 0.00 C ATOM 164 O GLY A 10 29.578 36.690 29.273 1.00 0.00 O ATOM 0 H GLY A 10 32.449 34.076 28.419 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.769 34.385 30.073 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.640 35.762 30.718 1.00 0.00 H new ATOM 168 N LYS A 11 30.974 36.366 27.597 1.00 0.00 N ATOM 169 CA LYS A 11 30.213 37.015 26.550 1.00 0.00 C ATOM 170 C LYS A 11 28.980 36.176 26.236 1.00 0.00 C ATOM 171 O LYS A 11 29.208 34.987 25.982 1.00 0.00 O ATOM 172 CB LYS A 11 31.142 37.197 25.344 1.00 0.00 C ATOM 173 CG LYS A 11 30.956 38.377 24.388 1.00 0.00 C ATOM 174 CD LYS A 11 31.654 38.335 23.031 1.00 0.00 C ATOM 175 CE LYS A 11 33.122 37.952 23.187 1.00 0.00 C ATOM 176 NZ LYS A 11 33.794 37.936 21.877 1.00 0.00 N ATOM 0 H LYS A 11 31.882 36.049 27.257 1.00 0.00 H new ATOM 0 HA LYS A 11 29.853 37.999 26.851 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.160 37.253 25.729 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.076 36.287 24.748 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.887 38.491 24.207 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.290 39.277 24.904 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.153 37.617 22.382 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.577 39.309 22.548 1.00 0.00 H new ATOM 0 HE2 LYS A 11 33.620 38.660 23.849 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.200 36.970 23.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.813 38.097 22.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.645 37.013 21.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.399 38.687 21.275 1.00 0.00 H new ATOM 190 N THR A 12 27.746 36.628 26.383 1.00 0.00 N ATOM 191 CA THR A 12 26.538 35.867 26.121 1.00 0.00 C ATOM 192 C THR A 12 26.046 36.377 24.769 1.00 0.00 C ATOM 193 O THR A 12 25.299 37.350 24.683 1.00 0.00 O ATOM 194 CB THR A 12 25.532 36.179 27.234 1.00 0.00 C ATOM 195 OG1 THR A 12 26.197 36.046 28.470 1.00 0.00 O ATOM 196 CG2 THR A 12 24.495 35.066 27.242 1.00 0.00 C ATOM 0 H THR A 12 27.551 37.577 26.702 1.00 0.00 H new ATOM 0 HA THR A 12 26.687 34.787 26.100 1.00 0.00 H new ATOM 0 HB THR A 12 25.102 37.170 27.084 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.573 36.243 29.200 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.762 35.258 28.025 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.993 35.030 26.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.987 34.112 27.431 1.00 0.00 H new ATOM 204 N ILE A 13 26.457 35.633 23.743 1.00 0.00 N ATOM 205 CA ILE A 13 26.093 35.624 22.334 1.00 0.00 C ATOM 206 C ILE A 13 24.605 35.337 22.198 1.00 0.00 C ATOM 207 O ILE A 13 24.143 34.491 22.965 1.00 0.00 O ATOM 208 CB ILE A 13 26.958 34.555 21.661 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.465 34.782 21.791 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.545 34.102 20.257 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.132 36.025 21.196 1.00 0.00 C ATOM 0 H ILE A 13 27.161 34.915 23.915 1.00 0.00 H new ATOM 0 HA ILE A 13 26.271 36.586 21.854 1.00 0.00 H new ATOM 0 HB ILE A 13 26.721 33.688 22.278 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.698 34.774 22.856 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.957 33.915 21.351 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.242 33.344 19.900 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.539 33.683 20.291 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.560 34.956 19.580 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.203 35.995 21.398 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.966 36.047 20.119 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.703 36.920 21.647 1.00 0.00 H new ATOM 223 N THR A 14 23.902 35.921 21.222 1.00 0.00 N ATOM 224 CA THR A 14 22.548 35.580 20.833 1.00 0.00 C ATOM 225 C THR A 14 22.568 34.755 19.540 1.00 0.00 C ATOM 226 O THR A 14 23.359 35.113 18.660 1.00 0.00 O ATOM 227 CB THR A 14 21.791 36.890 20.623 1.00 0.00 C ATOM 228 OG1 THR A 14 21.809 37.619 21.825 1.00 0.00 O ATOM 229 CG2 THR A 14 20.283 36.702 20.441 1.00 0.00 C ATOM 0 H THR A 14 24.289 36.680 20.661 1.00 0.00 H new ATOM 0 HA THR A 14 22.060 34.981 21.602 1.00 0.00 H new ATOM 0 HB THR A 14 22.265 37.349 19.755 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.327 38.464 21.703 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.810 37.673 20.297 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.097 36.075 19.569 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.866 36.224 21.327 1.00 0.00 H new ATOM 237 N LEU A 15 21.697 33.772 19.414 1.00 0.00 N ATOM 238 CA LEU A 15 21.307 33.254 18.109 1.00 0.00 C ATOM 239 C LEU A 15 19.812 33.243 17.808 1.00 0.00 C ATOM 240 O LEU A 15 19.075 32.661 18.601 1.00 0.00 O ATOM 241 CB LEU A 15 21.929 31.871 17.870 1.00 0.00 C ATOM 242 CG LEU A 15 23.448 31.671 17.860 1.00 0.00 C ATOM 243 CD1 LEU A 15 23.775 30.179 17.754 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.223 32.387 16.756 1.00 0.00 C ATOM 0 H LEU A 15 21.242 33.311 20.202 1.00 0.00 H new ATOM 0 HA LEU A 15 21.709 33.977 17.399 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.526 31.205 18.633 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.556 31.517 16.909 1.00 0.00 H new ATOM 0 HG LEU A 15 23.771 32.119 18.799 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.856 30.043 17.747 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.348 29.651 18.607 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.353 29.779 16.832 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.286 32.167 16.856 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.872 32.043 15.783 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.065 33.462 16.839 1.00 0.00 H new ATOM 256 N GLU A 16 19.416 33.725 16.632 1.00 0.00 N ATOM 257 CA GLU A 16 18.205 33.377 15.920 1.00 0.00 C ATOM 258 C GLU A 16 18.488 31.986 15.352 1.00 0.00 C ATOM 259 O GLU A 16 19.499 31.670 14.728 1.00 0.00 O ATOM 260 CB GLU A 16 17.889 34.416 14.845 1.00 0.00 C ATOM 261 CG GLU A 16 16.458 34.709 14.389 1.00 0.00 C ATOM 262 CD GLU A 16 15.538 35.369 15.407 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.002 36.330 16.072 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.332 35.098 15.510 1.00 0.00 O ATOM 0 H GLU A 16 19.974 34.412 16.125 1.00 0.00 H new ATOM 0 HA GLU A 16 17.319 33.365 16.554 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.307 35.361 15.191 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.448 34.126 13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.506 35.349 13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.001 33.770 14.076 1.00 0.00 H new ATOM 271 N VAL A 17 17.556 31.080 15.625 1.00 0.00 N ATOM 272 CA VAL A 17 17.612 29.683 15.234 1.00 0.00 C ATOM 273 C VAL A 17 16.237 29.170 14.794 1.00 0.00 C ATOM 274 O VAL A 17 15.243 29.741 15.219 1.00 0.00 O ATOM 275 CB VAL A 17 18.259 28.804 16.305 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.717 29.175 16.539 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.460 28.623 17.604 1.00 0.00 C ATOM 0 H VAL A 17 16.709 31.311 16.145 1.00 0.00 H new ATOM 0 HA VAL A 17 18.266 29.616 14.364 1.00 0.00 H new ATOM 0 HB VAL A 17 18.239 27.802 15.877 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.139 28.527 17.307 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.277 29.051 15.612 1.00 0.00 H new ATOM 0 HG13 VAL A 17 19.780 30.213 16.866 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.017 27.982 18.287 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.298 29.595 18.070 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.498 28.164 17.378 1.00 0.00 H new ATOM 287 N GLU A 18 16.189 28.093 14.004 1.00 0.00 N ATOM 288 CA GLU A 18 15.009 27.392 13.563 1.00 0.00 C ATOM 289 C GLU A 18 14.970 26.079 14.345 1.00 0.00 C ATOM 290 O GLU A 18 16.030 25.491 14.542 1.00 0.00 O ATOM 291 CB GLU A 18 15.171 27.121 12.061 1.00 0.00 C ATOM 292 CG GLU A 18 13.859 27.261 11.273 1.00 0.00 C ATOM 293 CD GLU A 18 13.375 28.705 11.329 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.163 29.553 10.845 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.308 28.972 11.908 1.00 0.00 O ATOM 0 H GLU A 18 17.041 27.669 13.637 1.00 0.00 H new ATOM 0 HA GLU A 18 14.090 27.954 13.728 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.908 27.812 11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.565 26.114 11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.012 26.959 10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.101 26.597 11.690 1.00 0.00 H new ATOM 302 N PRO A 19 13.821 25.473 14.665 1.00 0.00 N ATOM 303 CA PRO A 19 13.720 24.245 15.412 1.00 0.00 C ATOM 304 C PRO A 19 14.180 22.968 14.695 1.00 0.00 C ATOM 305 O PRO A 19 14.301 21.940 15.351 1.00 0.00 O ATOM 306 CB PRO A 19 12.303 24.071 15.984 1.00 0.00 C ATOM 307 CG PRO A 19 11.547 24.923 14.962 1.00 0.00 C ATOM 308 CD PRO A 19 12.500 26.040 14.528 1.00 0.00 C ATOM 0 HA PRO A 19 14.444 24.367 16.218 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.975 23.032 15.995 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.208 24.447 17.003 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.242 24.321 14.106 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.639 25.338 15.400 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.306 26.348 13.500 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.383 26.925 15.153 1.00 0.00 H new ATOM 316 N SER A 20 14.331 23.046 13.381 1.00 0.00 N ATOM 317 CA SER A 20 14.725 21.993 12.463 1.00 0.00 C ATOM 318 C SER A 20 16.212 22.028 12.089 1.00 0.00 C ATOM 319 O SER A 20 16.686 21.199 11.321 1.00 0.00 O ATOM 320 CB SER A 20 13.816 22.110 11.238 1.00 0.00 C ATOM 321 OG SER A 20 13.735 23.434 10.740 1.00 0.00 O ATOM 0 H SER A 20 14.166 23.925 12.890 1.00 0.00 H new ATOM 0 HA SER A 20 14.603 21.024 12.947 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.187 21.453 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.816 21.763 11.498 1.00 0.00 H new ATOM 0 HG SER A 20 13.145 23.454 9.958 1.00 0.00 H new ATOM 327 N ASP A 21 16.984 22.958 12.631 1.00 0.00 N ATOM 328 CA ASP A 21 18.343 23.254 12.229 1.00 0.00 C ATOM 329 C ASP A 21 19.328 22.223 12.779 1.00 0.00 C ATOM 330 O ASP A 21 19.018 21.497 13.726 1.00 0.00 O ATOM 331 CB ASP A 21 18.809 24.611 12.781 1.00 0.00 C ATOM 332 CG ASP A 21 18.336 25.831 12.020 1.00 0.00 C ATOM 333 OD1 ASP A 21 17.761 25.656 10.918 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.550 26.939 12.558 1.00 0.00 O ATOM 0 H ASP A 21 16.662 23.551 13.396 1.00 0.00 H new ATOM 0 HA ASP A 21 18.333 23.250 11.139 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.471 24.697 13.814 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.899 24.619 12.801 1.00 0.00 H new ATOM 339 N THR A 22 20.447 22.061 12.073 1.00 0.00 N ATOM 340 CA THR A 22 21.573 21.208 12.373 1.00 0.00 C ATOM 341 C THR A 22 22.523 22.048 13.219 1.00 0.00 C ATOM 342 O THR A 22 22.660 23.268 13.101 1.00 0.00 O ATOM 343 CB THR A 22 22.287 20.785 11.083 1.00 0.00 C ATOM 344 OG1 THR A 22 22.811 21.948 10.472 1.00 0.00 O ATOM 345 CG2 THR A 22 21.355 20.103 10.079 1.00 0.00 C ATOM 0 H THR A 22 20.591 22.573 11.202 1.00 0.00 H new ATOM 0 HA THR A 22 21.250 20.304 12.889 1.00 0.00 H new ATOM 0 HB THR A 22 23.061 20.068 11.355 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.275 21.702 9.644 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.919 19.828 9.188 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.928 19.207 10.529 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.553 20.788 9.804 1.00 0.00 H new ATOM 353 N ILE A 23 23.344 21.286 13.940 1.00 0.00 N ATOM 354 CA ILE A 23 24.428 21.735 14.793 1.00 0.00 C ATOM 355 C ILE A 23 25.550 22.228 13.890 1.00 0.00 C ATOM 356 O ILE A 23 26.147 23.204 14.324 1.00 0.00 O ATOM 357 CB ILE A 23 24.902 20.626 15.730 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.791 20.002 16.581 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.094 20.949 16.643 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.927 20.868 17.485 1.00 0.00 C ATOM 0 H ILE A 23 23.258 20.270 13.939 1.00 0.00 H new ATOM 0 HA ILE A 23 24.087 22.544 15.438 1.00 0.00 H new ATOM 0 HB ILE A 23 25.257 19.902 14.996 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.119 19.480 15.899 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.257 19.245 17.212 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.329 20.079 17.256 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.960 21.208 16.033 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.840 21.790 17.289 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.200 20.242 18.003 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.558 21.372 18.217 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.403 21.611 16.884 1.00 0.00 H new ATOM 372 N GLU A 24 25.798 21.761 12.665 1.00 0.00 N ATOM 373 CA GLU A 24 26.701 22.349 11.696 1.00 0.00 C ATOM 374 C GLU A 24 26.224 23.774 11.396 1.00 0.00 C ATOM 375 O GLU A 24 27.066 24.639 11.181 1.00 0.00 O ATOM 376 CB GLU A 24 26.706 21.413 10.482 1.00 0.00 C ATOM 377 CG GLU A 24 27.923 21.409 9.556 1.00 0.00 C ATOM 378 CD GLU A 24 27.828 22.386 8.387 1.00 0.00 C ATOM 379 OE1 GLU A 24 26.771 22.949 8.011 1.00 0.00 O ATOM 380 OE2 GLU A 24 28.934 22.731 7.932 1.00 0.00 O ATOM 0 H GLU A 24 25.346 20.918 12.312 1.00 0.00 H new ATOM 0 HA GLU A 24 27.728 22.444 12.048 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.568 20.396 10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.832 21.654 9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.811 21.647 10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.062 20.402 9.162 1.00 0.00 H new ATOM 387 N ASN A 25 24.947 24.104 11.305 1.00 0.00 N ATOM 388 CA ASN A 25 24.434 25.445 11.099 1.00 0.00 C ATOM 389 C ASN A 25 24.521 26.234 12.406 1.00 0.00 C ATOM 390 O ASN A 25 24.566 27.461 12.298 1.00 0.00 O ATOM 391 CB ASN A 25 22.965 25.382 10.667 1.00 0.00 C ATOM 392 CG ASN A 25 22.451 26.591 9.906 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.478 26.629 8.678 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.962 27.556 10.675 1.00 0.00 N ATOM 0 H ASN A 25 24.204 23.409 11.377 1.00 0.00 H new ATOM 0 HA ASN A 25 25.027 25.932 10.325 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.826 24.498 10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.349 25.246 11.556 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.575 28.399 10.251 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.973 27.454 11.690 1.00 0.00 H new ATOM 401 N VAL A 26 24.598 25.689 13.609 1.00 0.00 N ATOM 402 CA VAL A 26 24.830 26.529 14.763 1.00 0.00 C ATOM 403 C VAL A 26 26.311 26.912 14.898 1.00 0.00 C ATOM 404 O VAL A 26 26.699 28.032 15.211 1.00 0.00 O ATOM 405 CB VAL A 26 24.318 25.827 16.018 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.704 26.325 17.412 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.788 25.734 16.025 1.00 0.00 C ATOM 0 H VAL A 26 24.505 24.693 13.806 1.00 0.00 H new ATOM 0 HA VAL A 26 24.279 27.460 14.631 1.00 0.00 H new ATOM 0 HB VAL A 26 24.852 24.884 15.896 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.238 25.691 18.167 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.787 26.287 17.525 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.362 27.352 17.539 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.458 25.229 16.933 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.362 26.737 15.993 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.454 25.170 15.154 1.00 0.00 H new ATOM 417 N LYS A 27 27.177 25.962 14.563 1.00 0.00 N ATOM 418 CA LYS A 27 28.620 26.084 14.532 1.00 0.00 C ATOM 419 C LYS A 27 29.087 27.089 13.477 1.00 0.00 C ATOM 420 O LYS A 27 30.054 27.815 13.713 1.00 0.00 O ATOM 421 CB LYS A 27 29.295 24.721 14.361 1.00 0.00 C ATOM 422 CG LYS A 27 29.077 23.763 15.532 1.00 0.00 C ATOM 423 CD LYS A 27 29.730 22.449 15.087 1.00 0.00 C ATOM 424 CE LYS A 27 29.959 21.461 16.229 1.00 0.00 C ATOM 425 NZ LYS A 27 30.357 20.113 15.788 1.00 0.00 N ATOM 0 H LYS A 27 26.865 25.030 14.290 1.00 0.00 H new ATOM 0 HA LYS A 27 28.930 26.478 15.500 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.921 24.254 13.450 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.366 24.873 14.225 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.535 24.143 16.445 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.016 23.627 15.740 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.101 21.978 14.331 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.686 22.671 14.613 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.730 21.858 16.889 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.045 21.384 16.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.559 19.521 16.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.585 19.686 15.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.209 20.179 15.195 1.00 0.00 H new ATOM 439 N ALA A 28 28.365 27.271 12.376 1.00 0.00 N ATOM 440 CA ALA A 28 28.643 28.176 11.271 1.00 0.00 C ATOM 441 C ALA A 28 28.340 29.634 11.635 1.00 0.00 C ATOM 442 O ALA A 28 28.985 30.568 11.179 1.00 0.00 O ATOM 443 CB ALA A 28 27.675 27.660 10.210 1.00 0.00 C ATOM 0 H ALA A 28 27.503 26.747 12.223 1.00 0.00 H new ATOM 0 HA ALA A 28 29.688 28.185 10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 28 27.775 28.258 9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 28 27.904 26.619 9.984 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.653 27.734 10.583 1.00 0.00 H new ATOM 449 N LYS A 29 27.371 29.875 12.518 1.00 0.00 N ATOM 450 CA LYS A 29 27.005 31.165 13.072 1.00 0.00 C ATOM 451 C LYS A 29 27.951 31.596 14.197 1.00 0.00 C ATOM 452 O LYS A 29 28.211 32.753 14.492 1.00 0.00 O ATOM 453 CB LYS A 29 25.607 31.113 13.687 1.00 0.00 C ATOM 454 CG LYS A 29 24.461 30.920 12.697 1.00 0.00 C ATOM 455 CD LYS A 29 23.113 31.386 13.246 1.00 0.00 C ATOM 456 CE LYS A 29 21.969 30.972 12.321 1.00 0.00 C ATOM 457 NZ LYS A 29 20.645 31.623 12.371 1.00 0.00 N ATOM 0 H LYS A 29 26.788 29.123 12.884 1.00 0.00 H new ATOM 0 HA LYS A 29 27.054 31.870 12.242 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.578 30.300 14.413 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.437 32.038 14.238 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.683 31.468 11.781 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.393 29.866 12.429 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.955 30.962 14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.118 32.470 13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.335 31.083 11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.802 29.908 12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.972 31.086 11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.308 31.648 13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.722 32.594 12.006 1.00 0.00 H new ATOM 471 N ILE A 30 28.544 30.575 14.809 1.00 0.00 N ATOM 472 CA ILE A 30 29.587 30.743 15.808 1.00 0.00 C ATOM 473 C ILE A 30 30.924 30.952 15.097 1.00 0.00 C ATOM 474 O ILE A 30 31.692 31.791 15.565 1.00 0.00 O ATOM 475 CB ILE A 30 29.492 29.733 16.948 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.243 29.941 17.799 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.719 29.679 17.858 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.217 31.283 18.549 1.00 0.00 C ATOM 0 H ILE A 30 28.310 29.600 14.622 1.00 0.00 H new ATOM 0 HA ILE A 30 29.451 31.657 16.386 1.00 0.00 H new ATOM 0 HB ILE A 30 29.434 28.772 16.437 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.364 29.877 17.158 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.169 29.130 18.523 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.561 28.934 18.638 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.596 29.408 17.270 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.876 30.656 18.315 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.299 31.357 19.131 1.00 0.00 H new ATOM 0 HD12 ILE A 30 29.076 31.343 19.217 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.258 32.102 17.831 1.00 0.00 H new ATOM 490 N GLN A 31 31.229 30.369 13.938 1.00 0.00 N ATOM 491 CA GLN A 31 32.278 30.789 13.032 1.00 0.00 C ATOM 492 C GLN A 31 32.174 32.240 12.594 1.00 0.00 C ATOM 493 O GLN A 31 33.173 32.887 12.276 1.00 0.00 O ATOM 494 CB GLN A 31 32.448 29.891 11.801 1.00 0.00 C ATOM 495 CG GLN A 31 33.450 30.285 10.719 1.00 0.00 C ATOM 496 CD GLN A 31 32.939 31.216 9.622 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.692 31.645 8.749 1.00 0.00 O ATOM 498 NE2 GLN A 31 31.649 31.503 9.471 1.00 0.00 N ATOM 0 H GLN A 31 30.722 29.552 13.596 1.00 0.00 H new ATOM 0 HA GLN A 31 33.174 30.685 13.644 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.723 28.898 12.156 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.472 29.800 11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.303 30.763 11.202 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.819 29.374 10.248 1.00 0.00 H new ATOM 0 HE21 GLN A 31 30.970 31.178 10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 31 31.339 32.049 8.667 1.00 0.00 H new ATOM 507 N ASP A 32 30.971 32.777 12.390 1.00 0.00 N ATOM 508 CA ASP A 32 30.643 34.142 12.017 1.00 0.00 C ATOM 509 C ASP A 32 30.937 35.012 13.244 1.00 0.00 C ATOM 510 O ASP A 32 31.732 35.951 13.249 1.00 0.00 O ATOM 511 CB ASP A 32 29.243 34.209 11.416 1.00 0.00 C ATOM 512 CG ASP A 32 28.509 35.549 11.496 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.025 36.437 10.793 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.420 35.627 12.104 1.00 0.00 O ATOM 0 H ASP A 32 30.129 32.211 12.493 1.00 0.00 H new ATOM 0 HA ASP A 32 31.254 34.542 11.208 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.313 33.925 10.366 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.627 33.457 11.910 1.00 0.00 H new ATOM 519 N LYS A 33 30.241 34.690 14.332 1.00 0.00 N ATOM 520 CA LYS A 33 30.255 35.350 15.617 1.00 0.00 C ATOM 521 C LYS A 33 31.688 35.515 16.120 1.00 0.00 C ATOM 522 O LYS A 33 32.176 36.584 16.494 1.00 0.00 O ATOM 523 CB LYS A 33 29.254 34.841 16.661 1.00 0.00 C ATOM 524 CG LYS A 33 27.773 35.199 16.516 1.00 0.00 C ATOM 525 CD LYS A 33 27.561 36.667 16.886 1.00 0.00 C ATOM 526 CE LYS A 33 26.039 36.788 16.976 1.00 0.00 C ATOM 527 NZ LYS A 33 25.581 38.120 17.403 1.00 0.00 N ATOM 0 H LYS A 33 29.603 33.894 14.327 1.00 0.00 H new ATOM 0 HA LYS A 33 29.852 36.347 15.440 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.328 33.754 16.682 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.584 35.202 17.635 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.444 35.020 15.492 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.169 34.560 17.161 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.042 36.917 17.832 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.974 37.336 16.131 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.606 36.558 16.003 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.664 36.042 17.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.542 38.133 17.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.967 38.334 18.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.910 38.835 16.723 1.00 0.00 H new ATOM 541 N GLU A 34 32.304 34.370 16.374 1.00 0.00 N ATOM 542 CA GLU A 34 33.334 34.251 17.382 1.00 0.00 C ATOM 543 C GLU A 34 34.611 33.772 16.680 1.00 0.00 C ATOM 544 O GLU A 34 35.618 33.943 17.354 1.00 0.00 O ATOM 545 CB GLU A 34 32.904 33.257 18.467 1.00 0.00 C ATOM 546 CG GLU A 34 32.080 33.973 19.540 1.00 0.00 C ATOM 547 CD GLU A 34 32.944 34.839 20.435 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.903 34.403 21.125 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.546 36.020 20.523 1.00 0.00 O ATOM 0 H GLU A 34 32.100 33.499 15.884 1.00 0.00 H new ATOM 0 HA GLU A 34 33.509 35.210 17.870 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.317 32.453 18.023 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.783 32.797 18.919 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.320 34.591 19.061 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.555 33.235 20.147 1.00 0.00 H new ATOM 556 N GLY A 35 34.534 33.369 15.417 1.00 0.00 N ATOM 557 CA GLY A 35 35.690 33.158 14.572 1.00 0.00 C ATOM 558 C GLY A 35 36.212 31.723 14.461 1.00 0.00 C ATOM 559 O GLY A 35 37.202 31.446 13.782 1.00 0.00 O ATOM 0 H GLY A 35 33.648 33.178 14.949 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.446 33.509 13.569 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.500 33.786 14.942 1.00 0.00 H new ATOM 563 N ILE A 36 35.645 30.735 15.144 1.00 0.00 N ATOM 564 CA ILE A 36 36.267 29.463 15.464 1.00 0.00 C ATOM 565 C ILE A 36 35.907 28.387 14.446 1.00 0.00 C ATOM 566 O ILE A 36 34.730 28.311 14.086 1.00 0.00 O ATOM 567 CB ILE A 36 35.665 28.973 16.776 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.429 30.073 17.808 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.349 27.748 17.397 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.705 30.796 18.217 1.00 0.00 C ATOM 0 H ILE A 36 34.694 30.806 15.505 1.00 0.00 H new ATOM 0 HA ILE A 36 37.346 29.617 15.492 1.00 0.00 H new ATOM 0 HB ILE A 36 34.682 28.624 16.461 1.00 0.00 H new ATOM 0 HG12 ILE A 36 34.723 30.797 17.402 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.966 29.638 18.694 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.845 27.481 18.326 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.296 26.910 16.702 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.393 27.981 17.605 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.468 31.565 18.952 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.404 30.082 18.652 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.158 31.259 17.340 1.00 0.00 H new ATOM 582 N PRO A 37 36.800 27.579 13.875 1.00 0.00 N ATOM 583 CA PRO A 37 36.524 26.395 13.090 1.00 0.00 C ATOM 584 C PRO A 37 35.500 25.543 13.835 1.00 0.00 C ATOM 585 O PRO A 37 35.880 25.216 14.954 1.00 0.00 O ATOM 586 CB PRO A 37 37.867 25.679 12.882 1.00 0.00 C ATOM 587 CG PRO A 37 38.879 26.815 13.059 1.00 0.00 C ATOM 588 CD PRO A 37 38.220 27.783 14.038 1.00 0.00 C ATOM 0 HA PRO A 37 36.094 26.620 12.114 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.019 24.883 13.610 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.936 25.224 11.894 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.826 26.443 13.450 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.096 27.302 12.108 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.532 27.580 15.062 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.497 28.814 13.819 1.00 0.00 H new ATOM 596 N PRO A 38 34.332 25.170 13.324 1.00 0.00 N ATOM 597 CA PRO A 38 33.323 24.289 13.871 1.00 0.00 C ATOM 598 C PRO A 38 33.777 23.080 14.698 1.00 0.00 C ATOM 599 O PRO A 38 33.344 22.922 15.836 1.00 0.00 O ATOM 600 CB PRO A 38 32.545 23.857 12.622 1.00 0.00 C ATOM 601 CG PRO A 38 32.523 25.106 11.746 1.00 0.00 C ATOM 602 CD PRO A 38 33.954 25.589 11.992 1.00 0.00 C ATOM 0 HA PRO A 38 32.757 24.826 14.632 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.034 23.024 12.116 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.536 23.529 12.874 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.327 24.882 10.697 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.773 25.830 12.063 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.633 25.168 11.251 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.014 26.673 11.900 1.00 0.00 H new ATOM 610 N ASP A 39 34.748 22.300 14.232 1.00 0.00 N ATOM 611 CA ASP A 39 35.246 21.124 14.895 1.00 0.00 C ATOM 612 C ASP A 39 35.998 21.377 16.209 1.00 0.00 C ATOM 613 O ASP A 39 36.133 20.392 16.924 1.00 0.00 O ATOM 614 CB ASP A 39 36.231 20.392 13.969 1.00 0.00 C ATOM 615 CG ASP A 39 35.657 19.581 12.816 1.00 0.00 C ATOM 616 OD1 ASP A 39 35.139 18.456 13.025 1.00 0.00 O ATOM 617 OD2 ASP A 39 35.599 20.120 11.699 1.00 0.00 O ATOM 0 H ASP A 39 35.220 22.487 13.347 1.00 0.00 H new ATOM 0 HA ASP A 39 34.352 20.547 15.131 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.910 21.134 13.550 1.00 0.00 H new ATOM 0 HB3 ASP A 39 36.832 19.721 14.583 1.00 0.00 H new ATOM 622 N GLN A 40 36.425 22.606 16.478 1.00 0.00 N ATOM 623 CA GLN A 40 37.131 22.921 17.699 1.00 0.00 C ATOM 624 C GLN A 40 36.132 23.425 18.739 1.00 0.00 C ATOM 625 O GLN A 40 36.482 23.543 19.916 1.00 0.00 O ATOM 626 CB GLN A 40 38.129 24.058 17.459 1.00 0.00 C ATOM 627 CG GLN A 40 39.373 23.644 16.656 1.00 0.00 C ATOM 628 CD GLN A 40 40.308 24.831 16.519 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.304 25.739 17.341 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.080 24.804 15.434 1.00 0.00 N ATOM 0 H GLN A 40 36.289 23.402 15.855 1.00 0.00 H new ATOM 0 HA GLN A 40 37.647 22.022 18.036 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.622 24.866 16.932 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.448 24.456 18.422 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.884 22.821 17.156 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.079 23.284 15.670 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.030 24.013 14.792 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.722 25.574 15.245 1.00 0.00 H new ATOM 639 N GLN A 41 34.872 23.654 18.414 1.00 0.00 N ATOM 640 CA GLN A 41 33.797 24.127 19.262 1.00 0.00 C ATOM 641 C GLN A 41 33.140 22.938 19.951 1.00 0.00 C ATOM 642 O GLN A 41 32.721 22.006 19.260 1.00 0.00 O ATOM 643 CB GLN A 41 32.720 24.913 18.500 1.00 0.00 C ATOM 644 CG GLN A 41 33.163 26.067 17.598 1.00 0.00 C ATOM 645 CD GLN A 41 31.998 26.681 16.841 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.823 26.520 17.187 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.280 27.247 15.677 1.00 0.00 N ATOM 0 H GLN A 41 34.548 23.498 17.460 1.00 0.00 H new ATOM 0 HA GLN A 41 34.245 24.810 19.984 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.165 24.205 17.885 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.021 25.314 19.233 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.646 26.834 18.203 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.907 25.706 16.887 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.252 27.378 15.396 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.525 27.552 15.062 1.00 0.00 H new ATOM 656 N ARG A 42 32.932 22.926 21.256 1.00 0.00 N ATOM 657 CA ARG A 42 32.325 21.895 22.069 1.00 0.00 C ATOM 658 C ARG A 42 31.054 22.487 22.682 1.00 0.00 C ATOM 659 O ARG A 42 31.091 23.530 23.321 1.00 0.00 O ATOM 660 CB ARG A 42 33.328 21.296 23.063 1.00 0.00 C ATOM 661 CG ARG A 42 32.678 20.340 24.064 1.00 0.00 C ATOM 662 CD ARG A 42 33.690 19.498 24.839 1.00 0.00 C ATOM 663 NE ARG A 42 33.320 18.856 26.104 1.00 0.00 N ATOM 664 CZ ARG A 42 34.152 18.558 27.108 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.388 19.081 27.232 1.00 0.00 N ATOM 666 NH2 ARG A 42 33.711 17.670 28.003 1.00 0.00 N ATOM 0 H ARG A 42 33.215 23.722 21.828 1.00 0.00 H new ATOM 0 HA ARG A 42 32.029 21.030 21.476 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.104 20.764 22.512 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.819 22.103 23.606 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.079 20.916 24.769 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.995 19.677 23.532 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.032 18.710 24.168 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.549 20.137 25.043 1.00 0.00 H new ATOM 0 HE ARG A 42 32.337 18.614 26.230 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.734 19.743 26.537 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.977 18.815 28.021 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.784 17.258 27.899 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.302 17.403 28.791 1.00 0.00 H new ATOM 680 N LEU A 43 30.001 21.669 22.754 1.00 0.00 N ATOM 681 CA LEU A 43 28.723 21.926 23.393 1.00 0.00 C ATOM 682 C LEU A 43 28.460 20.913 24.508 1.00 0.00 C ATOM 683 O LEU A 43 28.291 19.727 24.206 1.00 0.00 O ATOM 684 CB LEU A 43 27.569 22.009 22.397 1.00 0.00 C ATOM 685 CG LEU A 43 27.666 23.098 21.337 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.457 23.016 20.395 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.757 24.455 22.045 1.00 0.00 C ATOM 0 H LEU A 43 30.030 20.741 22.332 1.00 0.00 H new ATOM 0 HA LEU A 43 28.783 22.914 23.850 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.484 21.047 21.892 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.645 22.158 22.956 1.00 0.00 H new ATOM 0 HG LEU A 43 28.558 22.967 20.724 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.531 23.797 19.639 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.440 22.041 19.909 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.540 23.152 20.968 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.827 25.249 21.302 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.867 24.607 22.656 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.641 24.475 22.682 1.00 0.00 H new ATOM 699 N ILE A 44 28.485 21.401 25.738 1.00 0.00 N ATOM 700 CA ILE A 44 27.899 20.746 26.880 1.00 0.00 C ATOM 701 C ILE A 44 26.616 21.523 27.191 1.00 0.00 C ATOM 702 O ILE A 44 26.683 22.745 27.288 1.00 0.00 O ATOM 703 CB ILE A 44 28.856 20.896 28.062 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.133 20.129 27.722 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.262 20.355 29.369 1.00 0.00 C ATOM 706 CD1 ILE A 44 31.228 20.289 28.779 1.00 0.00 C ATOM 0 H ILE A 44 28.928 22.290 25.968 1.00 0.00 H new ATOM 0 HA ILE A 44 27.704 19.689 26.697 1.00 0.00 H new ATOM 0 HB ILE A 44 29.054 21.956 28.222 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.896 19.071 27.610 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.512 20.474 26.760 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.982 20.485 30.177 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.348 20.899 29.606 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.034 19.295 29.254 1.00 0.00 H new ATOM 0 HD11 ILE A 44 32.109 19.721 28.480 1.00 0.00 H new ATOM 0 HD12 ILE A 44 31.491 21.343 28.874 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.865 19.918 29.738 1.00 0.00 H new ATOM 718 N PHE A 45 25.438 20.916 27.133 1.00 0.00 N ATOM 719 CA PHE A 45 24.190 21.555 27.510 1.00 0.00 C ATOM 720 C PHE A 45 23.559 20.604 28.527 1.00 0.00 C ATOM 721 O PHE A 45 23.268 19.433 28.307 1.00 0.00 O ATOM 722 CB PHE A 45 23.249 21.822 26.341 1.00 0.00 C ATOM 723 CG PHE A 45 21.821 22.266 26.574 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.528 23.467 27.237 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.785 21.457 26.076 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.189 23.822 27.389 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.457 21.875 26.166 1.00 0.00 C ATOM 728 CZ PHE A 45 19.158 23.127 26.739 1.00 0.00 C ATOM 0 H PHE A 45 25.324 19.953 26.818 1.00 0.00 H new ATOM 0 HA PHE A 45 24.381 22.549 27.915 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.722 22.581 25.718 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.206 20.907 25.750 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.317 24.098 27.618 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.018 20.506 25.621 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.937 24.657 28.026 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.663 21.242 25.798 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.162 23.541 26.679 1.00 0.00 H new ATOM 738 N ALA A 46 23.163 21.249 29.629 1.00 0.00 N ATOM 739 CA ALA A 46 22.340 20.702 30.697 1.00 0.00 C ATOM 740 C ALA A 46 22.972 19.510 31.407 1.00 0.00 C ATOM 741 O ALA A 46 22.260 18.722 32.029 1.00 0.00 O ATOM 742 CB ALA A 46 20.939 20.436 30.145 1.00 0.00 C ATOM 0 H ALA A 46 23.426 22.219 29.803 1.00 0.00 H new ATOM 0 HA ALA A 46 22.259 21.439 31.496 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.309 20.025 30.934 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.507 21.369 29.784 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.001 19.723 29.323 1.00 0.00 H new ATOM 748 N GLY A 47 24.288 19.372 31.270 1.00 0.00 N ATOM 749 CA GLY A 47 25.120 18.249 31.649 1.00 0.00 C ATOM 750 C GLY A 47 25.433 17.250 30.534 1.00 0.00 C ATOM 751 O GLY A 47 26.403 16.520 30.681 1.00 0.00 O ATOM 0 H GLY A 47 24.844 20.117 30.851 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.061 18.634 32.042 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.629 17.715 32.463 1.00 0.00 H new ATOM 755 N LYS A 48 24.683 17.244 29.430 1.00 0.00 N ATOM 756 CA LYS A 48 24.906 16.274 28.386 1.00 0.00 C ATOM 757 C LYS A 48 25.853 16.806 27.300 1.00 0.00 C ATOM 758 O LYS A 48 25.752 17.985 26.984 1.00 0.00 O ATOM 759 CB LYS A 48 23.635 16.073 27.577 1.00 0.00 C ATOM 760 CG LYS A 48 22.507 15.428 28.397 1.00 0.00 C ATOM 761 CD LYS A 48 22.318 13.942 28.077 1.00 0.00 C ATOM 762 CE LYS A 48 21.715 13.519 26.740 1.00 0.00 C ATOM 763 NZ LYS A 48 21.725 12.063 26.524 1.00 0.00 N ATOM 0 H LYS A 48 23.924 17.900 29.248 1.00 0.00 H new ATOM 0 HA LYS A 48 25.280 15.389 28.901 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.296 17.036 27.195 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.854 15.446 26.713 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.725 15.542 29.459 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.574 15.958 28.204 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.296 13.467 28.156 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.693 13.518 28.863 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.688 13.879 26.684 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.267 14.002 25.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.302 11.846 25.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.705 11.715 26.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.175 11.597 27.274 1.00 0.00 H new ATOM 777 N GLN A 49 26.697 16.013 26.651 1.00 0.00 N ATOM 778 CA GLN A 49 27.712 16.315 25.658 1.00 0.00 C ATOM 779 C GLN A 49 27.027 16.104 24.315 1.00 0.00 C ATOM 780 O GLN A 49 26.668 14.983 23.943 1.00 0.00 O ATOM 781 CB GLN A 49 28.796 15.264 25.918 1.00 0.00 C ATOM 782 CG GLN A 49 29.716 14.906 24.755 1.00 0.00 C ATOM 783 CD GLN A 49 30.760 15.918 24.289 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.127 16.753 25.110 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.103 15.820 22.998 1.00 0.00 N ATOM 0 H GLN A 49 26.679 15.010 26.837 1.00 0.00 H new ATOM 0 HA GLN A 49 28.140 17.317 25.686 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.416 15.616 26.743 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.306 14.350 26.254 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.244 13.991 25.025 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.085 14.669 23.899 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.720 15.069 22.424 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.748 16.496 22.589 1.00 0.00 H new ATOM 794 N LEU A 50 26.802 17.152 23.533 1.00 0.00 N ATOM 795 CA LEU A 50 26.148 17.105 22.239 1.00 0.00 C ATOM 796 C LEU A 50 27.223 16.638 21.244 1.00 0.00 C ATOM 797 O LEU A 50 28.146 17.433 21.082 1.00 0.00 O ATOM 798 CB LEU A 50 25.793 18.518 21.782 1.00 0.00 C ATOM 799 CG LEU A 50 24.394 18.929 22.242 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.131 18.609 23.714 1.00 0.00 C ATOM 801 CD2 LEU A 50 24.156 20.430 22.066 1.00 0.00 C ATOM 0 H LEU A 50 27.084 18.096 23.798 1.00 0.00 H new ATOM 0 HA LEU A 50 25.261 16.473 22.292 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.526 19.222 22.175 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.849 18.573 20.695 1.00 0.00 H new ATOM 0 HG LEU A 50 23.718 18.350 21.613 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.122 18.924 23.980 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.231 17.536 23.876 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.853 19.139 24.336 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.151 20.681 22.404 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.886 20.986 22.654 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.261 20.694 21.014 1.00 0.00 H new ATOM 813 N GLU A 51 27.107 15.438 20.700 1.00 0.00 N ATOM 814 CA GLU A 51 28.156 14.874 19.871 1.00 0.00 C ATOM 815 C GLU A 51 28.140 15.297 18.403 1.00 0.00 C ATOM 816 O GLU A 51 29.141 15.210 17.693 1.00 0.00 O ATOM 817 CB GLU A 51 28.138 13.349 19.767 1.00 0.00 C ATOM 818 CG GLU A 51 28.798 12.580 20.919 1.00 0.00 C ATOM 819 CD GLU A 51 30.323 12.601 20.781 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.996 13.548 21.238 1.00 0.00 O ATOM 821 OE2 GLU A 51 30.823 11.609 20.218 1.00 0.00 O ATOM 0 H GLU A 51 26.293 14.835 20.819 1.00 0.00 H new ATOM 0 HA GLU A 51 29.024 15.261 20.404 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.101 13.024 19.689 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.632 13.064 18.838 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.508 13.023 21.872 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.443 11.550 20.926 1.00 0.00 H new ATOM 828 N ASP A 52 27.022 15.872 17.958 1.00 0.00 N ATOM 829 CA ASP A 52 26.696 16.295 16.614 1.00 0.00 C ATOM 830 C ASP A 52 25.937 15.206 15.852 1.00 0.00 C ATOM 831 O ASP A 52 26.147 13.995 15.949 1.00 0.00 O ATOM 832 CB ASP A 52 27.846 16.952 15.854 1.00 0.00 C ATOM 833 CG ASP A 52 27.575 17.917 14.719 1.00 0.00 C ATOM 834 OD1 ASP A 52 26.851 17.447 13.806 1.00 0.00 O ATOM 835 OD2 ASP A 52 28.151 19.020 14.671 1.00 0.00 O ATOM 0 H ASP A 52 26.254 16.068 18.600 1.00 0.00 H new ATOM 0 HA ASP A 52 25.997 17.126 16.710 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.453 17.483 16.588 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.463 16.149 15.451 1.00 0.00 H new ATOM 840 N GLY A 53 25.128 15.614 14.866 1.00 0.00 N ATOM 841 CA GLY A 53 24.623 14.797 13.796 1.00 0.00 C ATOM 842 C GLY A 53 23.184 14.327 13.989 1.00 0.00 C ATOM 843 O GLY A 53 22.752 13.250 13.578 1.00 0.00 O ATOM 0 H GLY A 53 24.800 16.578 14.806 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.687 15.359 12.864 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.266 13.924 13.687 1.00 0.00 H new ATOM 847 N ARG A 54 22.480 15.222 14.681 1.00 0.00 N ATOM 848 CA ARG A 54 21.069 15.304 14.988 1.00 0.00 C ATOM 849 C ARG A 54 20.747 16.782 15.196 1.00 0.00 C ATOM 850 O ARG A 54 21.612 17.633 15.406 1.00 0.00 O ATOM 851 CB ARG A 54 20.742 14.341 16.141 1.00 0.00 C ATOM 852 CG ARG A 54 21.182 12.883 16.255 1.00 0.00 C ATOM 853 CD ARG A 54 20.490 12.188 17.421 1.00 0.00 C ATOM 854 NE ARG A 54 19.162 11.682 17.087 1.00 0.00 N ATOM 855 CZ ARG A 54 18.175 11.307 17.922 1.00 0.00 C ATOM 856 NH1 ARG A 54 18.340 10.966 19.206 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.926 11.282 17.440 1.00 0.00 N ATOM 0 H ARG A 54 22.967 16.017 15.094 1.00 0.00 H new ATOM 0 HA ARG A 54 20.413 14.965 14.187 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.110 14.829 17.043 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.654 14.325 16.209 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.953 12.358 15.328 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.263 12.836 16.390 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.111 11.360 17.762 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.406 12.887 18.253 1.00 0.00 H new ATOM 0 HE ARG A 54 18.955 11.602 16.091 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.271 10.979 19.621 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.534 10.694 19.769 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.748 11.542 16.470 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.152 11.003 18.043 1.00 0.00 H new ATOM 871 N THR A 55 19.494 17.206 15.108 1.00 0.00 N ATOM 872 CA THR A 55 19.108 18.602 15.024 1.00 0.00 C ATOM 873 C THR A 55 18.683 19.149 16.387 1.00 0.00 C ATOM 874 O THR A 55 18.629 18.457 17.394 1.00 0.00 O ATOM 875 CB THR A 55 17.879 18.615 14.111 1.00 0.00 C ATOM 876 OG1 THR A 55 16.777 17.906 14.647 1.00 0.00 O ATOM 877 CG2 THR A 55 18.113 18.130 12.686 1.00 0.00 C ATOM 0 H THR A 55 18.698 16.568 15.093 1.00 0.00 H new ATOM 0 HA THR A 55 19.938 19.209 14.664 1.00 0.00 H new ATOM 0 HB THR A 55 17.650 19.679 14.060 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.076 18.539 14.908 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.179 18.180 12.126 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.859 18.762 12.204 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.469 17.100 12.706 1.00 0.00 H new ATOM 885 N LEU A 56 18.380 20.450 16.401 1.00 0.00 N ATOM 886 CA LEU A 56 18.073 21.243 17.566 1.00 0.00 C ATOM 887 C LEU A 56 16.815 20.749 18.278 1.00 0.00 C ATOM 888 O LEU A 56 16.788 20.729 19.513 1.00 0.00 O ATOM 889 CB LEU A 56 17.855 22.670 17.071 1.00 0.00 C ATOM 890 CG LEU A 56 18.143 23.762 18.104 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.656 23.925 18.171 1.00 0.00 C ATOM 892 CD2 LEU A 56 17.467 25.087 17.751 1.00 0.00 C ATOM 0 H LEU A 56 18.344 20.998 15.542 1.00 0.00 H new ATOM 0 HA LEU A 56 18.888 21.176 18.286 1.00 0.00 H new ATOM 0 HB2 LEU A 56 18.489 22.838 16.200 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.822 22.769 16.737 1.00 0.00 H new ATOM 0 HG LEU A 56 17.735 23.470 19.072 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.907 24.697 18.898 1.00 0.00 H new ATOM 0 HD12 LEU A 56 20.111 22.981 18.472 1.00 0.00 H new ATOM 0 HD13 LEU A 56 20.035 24.214 17.190 1.00 0.00 H new ATOM 0 HD21 LEU A 56 17.701 25.830 18.514 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.829 25.434 16.783 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.388 24.944 17.704 1.00 0.00 H new ATOM 904 N SER A 57 15.793 20.297 17.561 1.00 0.00 N ATOM 905 CA SER A 57 14.663 19.545 18.068 1.00 0.00 C ATOM 906 C SER A 57 15.004 18.166 18.641 1.00 0.00 C ATOM 907 O SER A 57 14.362 17.761 19.602 1.00 0.00 O ATOM 908 CB SER A 57 13.642 19.278 16.955 1.00 0.00 C ATOM 909 OG SER A 57 14.266 19.051 15.706 1.00 0.00 O ATOM 0 H SER A 57 15.732 20.457 16.555 1.00 0.00 H new ATOM 0 HA SER A 57 14.279 20.178 18.868 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.035 18.412 17.220 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.965 20.128 16.873 1.00 0.00 H new ATOM 0 HG SER A 57 14.396 19.906 15.245 1.00 0.00 H new ATOM 915 N ASP A 58 15.994 17.437 18.121 1.00 0.00 N ATOM 916 CA ASP A 58 16.436 16.124 18.559 1.00 0.00 C ATOM 917 C ASP A 58 17.151 16.305 19.897 1.00 0.00 C ATOM 918 O ASP A 58 16.894 15.536 20.816 1.00 0.00 O ATOM 919 CB ASP A 58 17.401 15.462 17.579 1.00 0.00 C ATOM 920 CG ASP A 58 16.867 14.989 16.236 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.722 14.494 16.188 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.551 15.168 15.195 1.00 0.00 O ATOM 0 H ASP A 58 16.541 17.777 17.330 1.00 0.00 H new ATOM 0 HA ASP A 58 15.562 15.478 18.633 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.209 16.167 17.384 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.843 14.601 18.081 1.00 0.00 H new ATOM 927 N TYR A 59 18.179 17.146 19.946 1.00 0.00 N ATOM 928 CA TYR A 59 19.054 17.502 21.046 1.00 0.00 C ATOM 929 C TYR A 59 18.398 18.223 22.231 1.00 0.00 C ATOM 930 O TYR A 59 19.088 18.403 23.223 1.00 0.00 O ATOM 931 CB TYR A 59 20.355 18.209 20.677 1.00 0.00 C ATOM 932 CG TYR A 59 21.505 17.391 20.141 1.00 0.00 C ATOM 933 CD1 TYR A 59 22.152 16.585 21.087 1.00 0.00 C ATOM 934 CD2 TYR A 59 22.020 17.489 18.834 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.209 15.776 20.646 1.00 0.00 C ATOM 936 CE2 TYR A 59 23.081 16.709 18.372 1.00 0.00 C ATOM 937 CZ TYR A 59 23.625 15.821 19.308 1.00 0.00 C ATOM 938 OH TYR A 59 24.570 14.891 18.980 1.00 0.00 O ATOM 0 H TYR A 59 18.447 17.656 19.105 1.00 0.00 H new ATOM 0 HA TYR A 59 19.315 16.497 21.379 1.00 0.00 H new ATOM 0 HB2 TYR A 59 20.117 18.969 19.933 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.709 18.732 21.565 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.846 16.587 22.123 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.573 18.202 18.157 1.00 0.00 H new ATOM 0 HE1 TYR A 59 23.705 15.115 21.341 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.457 16.785 17.362 1.00 0.00 H new ATOM 0 HH TYR A 59 24.472 14.644 18.037 1.00 0.00 H new ATOM 948 N ASN A 60 17.107 18.510 22.304 1.00 0.00 N ATOM 949 CA ASN A 60 16.466 18.870 23.562 1.00 0.00 C ATOM 950 C ASN A 60 16.719 20.309 23.992 1.00 0.00 C ATOM 951 O ASN A 60 16.489 20.718 25.137 1.00 0.00 O ATOM 952 CB ASN A 60 16.624 17.862 24.698 1.00 0.00 C ATOM 953 CG ASN A 60 15.455 17.627 25.648 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.947 18.571 26.258 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.902 16.427 25.795 1.00 0.00 N ATOM 0 H ASN A 60 16.478 18.501 21.501 1.00 0.00 H new ATOM 0 HA ASN A 60 15.405 18.814 23.318 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.883 16.902 24.252 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.478 18.175 25.299 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.086 16.312 26.396 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.294 15.622 25.307 1.00 0.00 H new ATOM 962 N ILE A 61 17.138 21.195 23.104 1.00 0.00 N ATOM 963 CA ILE A 61 17.428 22.597 23.325 1.00 0.00 C ATOM 964 C ILE A 61 16.153 23.362 22.974 1.00 0.00 C ATOM 965 O ILE A 61 15.868 23.593 21.795 1.00 0.00 O ATOM 966 CB ILE A 61 18.648 23.052 22.509 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.858 22.110 22.536 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.068 24.465 22.892 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.676 22.344 21.268 1.00 0.00 C ATOM 0 H ILE A 61 17.296 20.928 22.132 1.00 0.00 H new ATOM 0 HA ILE A 61 17.701 22.791 24.362 1.00 0.00 H new ATOM 0 HB ILE A 61 18.299 23.029 21.477 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.466 22.299 23.421 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.530 21.072 22.590 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.933 24.761 22.299 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.245 25.154 22.701 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.327 24.493 23.950 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.543 21.683 21.267 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.060 22.135 20.394 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.010 23.381 21.237 1.00 0.00 H new ATOM 981 N GLN A 62 15.342 23.884 23.899 1.00 0.00 N ATOM 982 CA GLN A 62 14.008 24.356 23.601 1.00 0.00 C ATOM 983 C GLN A 62 14.235 25.866 23.498 1.00 0.00 C ATOM 984 O GLN A 62 15.346 26.391 23.582 1.00 0.00 O ATOM 985 CB GLN A 62 13.070 24.089 24.777 1.00 0.00 C ATOM 986 CG GLN A 62 13.247 22.676 25.356 1.00 0.00 C ATOM 987 CD GLN A 62 12.602 21.599 24.498 1.00 0.00 C ATOM 988 OE1 GLN A 62 12.275 21.845 23.339 1.00 0.00 O ATOM 989 NE2 GLN A 62 12.401 20.391 25.025 1.00 0.00 N ATOM 0 H GLN A 62 15.605 23.987 24.879 1.00 0.00 H new ATOM 0 HA GLN A 62 13.566 23.886 22.722 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.253 24.825 25.559 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.038 24.219 24.452 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.311 22.462 25.460 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.816 22.642 26.357 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.678 20.202 25.988 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.970 19.655 24.465 1.00 0.00 H new ATOM 998 N LYS A 63 13.146 26.617 23.414 1.00 0.00 N ATOM 999 CA LYS A 63 13.083 28.034 23.109 1.00 0.00 C ATOM 1000 C LYS A 63 13.749 28.889 24.195 1.00 0.00 C ATOM 1001 O LYS A 63 13.231 28.804 25.302 1.00 0.00 O ATOM 1002 CB LYS A 63 11.646 28.454 22.811 1.00 0.00 C ATOM 1003 CG LYS A 63 10.826 27.555 21.890 1.00 0.00 C ATOM 1004 CD LYS A 63 9.389 28.069 21.910 1.00 0.00 C ATOM 1005 CE LYS A 63 8.449 27.114 21.186 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.093 27.647 20.991 1.00 0.00 N ATOM 0 H LYS A 63 12.219 26.221 23.569 1.00 0.00 H new ATOM 0 HA LYS A 63 13.664 28.215 22.204 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.116 28.536 23.760 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.671 29.452 22.372 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.227 27.576 20.877 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.868 26.520 22.228 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.060 28.194 22.942 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.345 29.051 21.440 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.875 26.868 20.214 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.386 26.184 21.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.512 26.943 20.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.666 27.857 21.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.141 28.519 20.426 1.00 0.00 H new ATOM 1020 N GLU A 64 14.772 29.670 23.883 1.00 0.00 N ATOM 1021 CA GLU A 64 15.456 30.528 24.834 1.00 0.00 C ATOM 1022 C GLU A 64 16.450 29.866 25.794 1.00 0.00 C ATOM 1023 O GLU A 64 16.762 30.390 26.856 1.00 0.00 O ATOM 1024 CB GLU A 64 14.685 31.704 25.439 1.00 0.00 C ATOM 1025 CG GLU A 64 14.154 32.828 24.552 1.00 0.00 C ATOM 1026 CD GLU A 64 12.646 32.994 24.478 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.046 31.930 24.184 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.094 34.111 24.564 1.00 0.00 O ATOM 0 H GLU A 64 15.157 29.725 22.940 1.00 0.00 H new ATOM 0 HA GLU A 64 16.099 31.030 24.111 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.831 31.287 25.973 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.334 32.163 26.184 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.581 33.767 24.903 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.527 32.666 23.541 1.00 0.00 H new ATOM 1035 N SER A 65 16.944 28.723 25.308 1.00 0.00 N ATOM 1036 CA SER A 65 17.970 27.905 25.913 1.00 0.00 C ATOM 1037 C SER A 65 19.285 28.687 25.762 1.00 0.00 C ATOM 1038 O SER A 65 19.538 29.355 24.766 1.00 0.00 O ATOM 1039 CB SER A 65 18.172 26.568 25.212 1.00 0.00 C ATOM 1040 OG SER A 65 17.084 25.720 25.534 1.00 0.00 O ATOM 0 H SER A 65 16.610 28.331 24.428 1.00 0.00 H new ATOM 0 HA SER A 65 17.677 27.698 26.942 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.233 26.712 24.133 1.00 0.00 H new ATOM 0 HB3 SER A 65 19.112 26.114 25.527 1.00 0.00 H new ATOM 0 HG SER A 65 16.304 25.970 24.996 1.00 0.00 H new ATOM 1046 N THR A 66 20.164 28.502 26.747 1.00 0.00 N ATOM 1047 CA THR A 66 21.528 28.978 26.662 1.00 0.00 C ATOM 1048 C THR A 66 22.324 27.676 26.657 1.00 0.00 C ATOM 1049 O THR A 66 22.211 26.800 27.520 1.00 0.00 O ATOM 1050 CB THR A 66 21.659 29.794 27.952 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.725 30.851 27.930 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.996 30.328 28.457 1.00 0.00 C ATOM 0 H THR A 66 19.944 28.020 27.618 1.00 0.00 H new ATOM 0 HA THR A 66 21.844 29.590 25.817 1.00 0.00 H new ATOM 0 HB THR A 66 21.480 29.006 28.684 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.804 31.375 28.754 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.841 30.875 29.387 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.677 29.495 28.634 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.426 30.996 27.711 1.00 0.00 H new ATOM 1060 N LEU A 67 23.171 27.694 25.629 1.00 0.00 N ATOM 1061 CA LEU A 67 24.214 26.702 25.456 1.00 0.00 C ATOM 1062 C LEU A 67 25.481 27.239 26.110 1.00 0.00 C ATOM 1063 O LEU A 67 25.747 28.434 26.068 1.00 0.00 O ATOM 1064 CB LEU A 67 24.411 26.506 23.951 1.00 0.00 C ATOM 1065 CG LEU A 67 23.217 25.920 23.195 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.589 25.564 21.760 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.673 24.640 23.839 1.00 0.00 C ATOM 0 H LEU A 67 23.148 28.401 24.895 1.00 0.00 H new ATOM 0 HA LEU A 67 23.960 25.746 25.914 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.660 27.470 23.508 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.270 25.853 23.798 1.00 0.00 H new ATOM 0 HG LEU A 67 22.456 26.700 23.226 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.719 25.150 21.250 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.923 26.460 21.238 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.391 24.826 21.764 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.827 24.272 23.258 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.456 23.882 23.860 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.348 24.855 24.857 1.00 0.00 H new ATOM 1079 N HIS A 68 26.329 26.327 26.583 1.00 0.00 N ATOM 1080 CA HIS A 68 27.722 26.599 26.892 1.00 0.00 C ATOM 1081 C HIS A 68 28.683 26.169 25.786 1.00 0.00 C ATOM 1082 O HIS A 68 28.603 25.046 25.294 1.00 0.00 O ATOM 1083 CB HIS A 68 28.114 25.851 28.170 1.00 0.00 C ATOM 1084 CG HIS A 68 29.400 26.149 28.908 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.714 25.327 29.991 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.306 27.169 28.861 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.829 25.861 30.494 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.120 27.055 29.976 1.00 0.00 N ATOM 0 H HIS A 68 26.056 25.361 26.764 1.00 0.00 H new ATOM 0 HA HIS A 68 27.805 27.680 27.008 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.302 25.997 28.882 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.133 24.790 27.921 1.00 0.00 H new ATOM 0 HD1 HIS A 68 29.207 24.506 30.322 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.375 27.927 28.094 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.435 25.375 31.245 1.00 0.00 H new ATOM 1096 N LEU A 69 29.513 27.126 25.387 1.00 0.00 N ATOM 1097 CA LEU A 69 30.477 26.933 24.328 1.00 0.00 C ATOM 1098 C LEU A 69 31.808 26.872 25.070 1.00 0.00 C ATOM 1099 O LEU A 69 32.333 27.850 25.590 1.00 0.00 O ATOM 1100 CB LEU A 69 30.410 28.146 23.401 1.00 0.00 C ATOM 1101 CG LEU A 69 31.419 28.297 22.260 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.754 27.065 21.433 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.188 29.576 21.448 1.00 0.00 C ATOM 0 H LEU A 69 29.530 28.060 25.796 1.00 0.00 H new ATOM 0 HA LEU A 69 30.315 26.046 23.715 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.415 28.159 22.957 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.492 29.036 24.026 1.00 0.00 H new ATOM 0 HG LEU A 69 32.366 28.416 22.787 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.481 27.329 20.665 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.174 26.295 22.081 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.848 26.687 20.960 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.928 29.639 20.650 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.188 29.556 21.015 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.283 30.444 22.101 1.00 0.00 H new ATOM 1115 N VAL A 70 32.438 25.714 24.918 1.00 0.00 N ATOM 1116 CA VAL A 70 33.777 25.399 25.375 1.00 0.00 C ATOM 1117 C VAL A 70 34.659 25.004 24.194 1.00 0.00 C ATOM 1118 O VAL A 70 34.182 24.639 23.129 1.00 0.00 O ATOM 1119 CB VAL A 70 33.623 24.271 26.393 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.933 23.796 27.016 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.682 24.599 27.553 1.00 0.00 C ATOM 0 H VAL A 70 31.998 24.926 24.444 1.00 0.00 H new ATOM 0 HA VAL A 70 34.267 26.255 25.839 1.00 0.00 H new ATOM 0 HB VAL A 70 33.199 23.479 25.776 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.729 22.995 27.726 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.596 23.427 26.233 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.412 24.627 27.535 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.628 23.746 28.230 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.059 25.468 28.093 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.687 24.817 27.164 1.00 0.00 H new ATOM 1131 N LEU A 71 35.986 25.051 24.323 1.00 0.00 N ATOM 1132 CA LEU A 71 36.926 24.634 23.303 1.00 0.00 C ATOM 1133 C LEU A 71 37.350 23.174 23.456 1.00 0.00 C ATOM 1134 O LEU A 71 37.531 22.782 24.609 1.00 0.00 O ATOM 1135 CB LEU A 71 38.130 25.586 23.277 1.00 0.00 C ATOM 1136 CG LEU A 71 37.703 26.917 22.655 1.00 0.00 C ATOM 1137 CD1 LEU A 71 38.657 28.071 22.967 1.00 0.00 C ATOM 1138 CD2 LEU A 71 37.382 26.948 21.159 1.00 0.00 C ATOM 0 H LEU A 71 36.442 25.392 25.169 1.00 0.00 H new ATOM 0 HA LEU A 71 36.421 24.692 22.339 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.504 25.746 24.288 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.945 25.146 22.702 1.00 0.00 H new ATOM 0 HG LEU A 71 36.747 27.048 23.161 1.00 0.00 H new ATOM 0 HD11 LEU A 71 38.292 28.983 22.494 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.710 28.218 24.046 1.00 0.00 H new ATOM 0 HD13 LEU A 71 39.650 27.836 22.584 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.096 27.959 20.869 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.261 26.643 20.592 1.00 0.00 H new ATOM 0 HD23 LEU A 71 36.560 26.264 20.949 1.00 0.00 H new