USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 596 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0923 USER MOD Single : A 6 GLN : amide:sc= -0.855 K(o=-0.86,f=-2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc=-0.00264 (180deg=-0.236) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 36:sc= 1.16 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -6:sc= -0.63 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0502 X(o=-0.05,f=-0.47) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.709 X(o=-0.71,f=-0.39) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.066 K(o=-0.066,f=-0.94) USER MOD Single : A 61 GLN : amide:sc=-0.00556 X(o=-0.0056,f=-0.36) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= -0.137 (180deg=-1.13) USER MOD Single : A 66 SER OG : rot 180:sc=-0.00248 USER MOD Single : A 67 SER OG : rot 180:sc=0.000341 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 36.253 -4.413 11.939 1.00 0.00 N ATOM 2 CA MET A 1 36.957 -3.665 10.860 1.00 0.00 C ATOM 3 C MET A 1 38.468 -3.838 11.023 1.00 0.00 C ATOM 4 O MET A 1 39.056 -3.357 11.973 1.00 0.00 O ATOM 5 CB MET A 1 36.601 -2.179 10.953 1.00 0.00 C ATOM 6 CG MET A 1 36.613 -1.562 9.553 1.00 0.00 C ATOM 7 SD MET A 1 34.959 -1.680 8.826 1.00 0.00 S ATOM 8 CE MET A 1 35.479 -2.156 7.160 1.00 0.00 C ATOM 0 H1 MET A 1 35.225 -4.296 11.829 1.00 0.00 H new ATOM 0 H2 MET A 1 36.495 -5.422 11.876 1.00 0.00 H new ATOM 0 H3 MET A 1 36.546 -4.043 12.866 1.00 0.00 H new ATOM 0 HA MET A 1 36.649 -4.052 9.889 1.00 0.00 H new ATOM 0 HB2 MET A 1 35.617 -2.058 11.407 1.00 0.00 H new ATOM 0 HB3 MET A 1 37.314 -1.663 11.595 1.00 0.00 H new ATOM 0 HG2 MET A 1 36.925 -0.519 9.607 1.00 0.00 H new ATOM 0 HG3 MET A 1 37.337 -2.079 8.923 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.601 -2.285 6.528 1.00 0.00 H new ATOM 0 HE2 MET A 1 36.116 -1.377 6.741 1.00 0.00 H new ATOM 0 HE3 MET A 1 36.034 -3.093 7.206 1.00 0.00 H new ATOM 20 N GLU A 2 39.099 -4.523 10.102 1.00 0.00 N ATOM 21 CA GLU A 2 40.574 -4.734 10.198 1.00 0.00 C ATOM 22 C GLU A 2 41.293 -3.777 9.244 1.00 0.00 C ATOM 23 O GLU A 2 42.104 -2.971 9.659 1.00 0.00 O ATOM 24 CB GLU A 2 40.905 -6.180 9.823 1.00 0.00 C ATOM 25 CG GLU A 2 40.802 -7.066 11.066 1.00 0.00 C ATOM 26 CD GLU A 2 42.170 -7.161 11.744 1.00 0.00 C ATOM 27 OE1 GLU A 2 42.677 -6.132 12.159 1.00 0.00 O ATOM 28 OE2 GLU A 2 42.688 -8.262 11.837 1.00 0.00 O ATOM 0 H GLU A 2 38.654 -4.945 9.287 1.00 0.00 H new ATOM 0 HA GLU A 2 40.904 -4.539 11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 2 40.219 -6.534 9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 2 41.910 -6.237 9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 2 40.069 -6.653 11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 2 40.453 -8.060 10.788 1.00 0.00 H new ATOM 35 N THR A 3 41.002 -3.861 7.969 1.00 0.00 N ATOM 36 CA THR A 3 41.667 -2.958 6.984 1.00 0.00 C ATOM 37 C THR A 3 40.795 -2.833 5.733 1.00 0.00 C ATOM 38 O THR A 3 39.919 -3.643 5.495 1.00 0.00 O ATOM 39 CB THR A 3 43.031 -3.538 6.601 1.00 0.00 C ATOM 40 OG1 THR A 3 43.610 -2.742 5.576 1.00 0.00 O ATOM 41 CG2 THR A 3 42.859 -4.972 6.100 1.00 0.00 C ATOM 0 H THR A 3 40.331 -4.517 7.569 1.00 0.00 H new ATOM 0 HA THR A 3 41.803 -1.973 7.430 1.00 0.00 H new ATOM 0 HB THR A 3 43.683 -3.539 7.475 1.00 0.00 H new ATOM 0 HG1 THR A 3 44.484 -3.110 5.330 1.00 0.00 H new ATOM 0 HG21 THR A 3 43.832 -5.382 5.828 1.00 0.00 H new ATOM 0 HG22 THR A 3 42.416 -5.582 6.887 1.00 0.00 H new ATOM 0 HG23 THR A 3 42.207 -4.977 5.227 1.00 0.00 H new ATOM 49 N LEU A 4 41.033 -1.824 4.932 1.00 0.00 N ATOM 50 CA LEU A 4 40.224 -1.638 3.692 1.00 0.00 C ATOM 51 C LEU A 4 41.111 -1.048 2.592 1.00 0.00 C ATOM 52 O LEU A 4 42.211 -0.595 2.850 1.00 0.00 O ATOM 53 CB LEU A 4 39.054 -0.690 3.983 1.00 0.00 C ATOM 54 CG LEU A 4 39.584 0.665 4.490 1.00 0.00 C ATOM 55 CD1 LEU A 4 39.260 1.762 3.471 1.00 0.00 C ATOM 56 CD2 LEU A 4 38.924 1.012 5.829 1.00 0.00 C ATOM 0 H LEU A 4 41.755 -1.120 5.086 1.00 0.00 H new ATOM 0 HA LEU A 4 39.832 -2.600 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 4 38.462 -0.543 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 4 38.394 -1.133 4.728 1.00 0.00 H new ATOM 0 HG LEU A 4 40.664 0.596 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 4 39.637 2.718 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 4 39.732 1.524 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 4 38.180 1.825 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 4 39.302 1.971 6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 4 37.844 1.074 5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 4 39.156 0.238 6.560 1.00 0.00 H new ATOM 68 N VAL A 5 40.640 -1.051 1.371 1.00 0.00 N ATOM 69 CA VAL A 5 41.452 -0.491 0.251 1.00 0.00 C ATOM 70 C VAL A 5 40.525 -0.138 -0.922 1.00 0.00 C ATOM 71 O VAL A 5 40.294 -0.936 -1.810 1.00 0.00 O ATOM 72 CB VAL A 5 42.503 -1.529 -0.178 1.00 0.00 C ATOM 73 CG1 VAL A 5 41.813 -2.836 -0.576 1.00 0.00 C ATOM 74 CG2 VAL A 5 43.319 -0.994 -1.362 1.00 0.00 C ATOM 0 H VAL A 5 39.727 -1.418 1.102 1.00 0.00 H new ATOM 0 HA VAL A 5 41.965 0.415 0.574 1.00 0.00 H new ATOM 0 HB VAL A 5 43.174 -1.718 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 5 42.564 -3.566 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 5 41.251 -3.224 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 5 41.132 -2.650 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.060 -1.736 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 5 42.653 -0.792 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.824 -0.074 -1.069 1.00 0.00 H new ATOM 84 N GLN A 6 39.997 1.061 -0.924 1.00 0.00 N ATOM 85 CA GLN A 6 39.089 1.487 -2.027 1.00 0.00 C ATOM 86 C GLN A 6 39.658 2.741 -2.695 1.00 0.00 C ATOM 87 O GLN A 6 40.542 3.387 -2.165 1.00 0.00 O ATOM 88 CB GLN A 6 37.703 1.799 -1.455 1.00 0.00 C ATOM 89 CG GLN A 6 37.832 2.816 -0.313 1.00 0.00 C ATOM 90 CD GLN A 6 36.761 3.901 -0.462 1.00 0.00 C ATOM 91 OE1 GLN A 6 36.813 4.701 -1.375 1.00 0.00 O ATOM 92 NE2 GLN A 6 35.788 3.962 0.405 1.00 0.00 N ATOM 0 H GLN A 6 40.158 1.765 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 6 39.007 0.686 -2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 6 37.057 2.197 -2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 6 37.235 0.885 -1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 6 37.723 2.313 0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 6 38.824 3.267 -0.326 1.00 0.00 H new ATOM 0 HE21 GLN A 6 35.745 3.290 1.171 1.00 0.00 H new ATOM 0 HE22 GLN A 6 35.070 4.682 0.317 1.00 0.00 H new ATOM 101 N ALA A 7 39.157 3.086 -3.854 1.00 0.00 N ATOM 102 CA ALA A 7 39.663 4.294 -4.564 1.00 0.00 C ATOM 103 C ALA A 7 39.218 5.554 -3.818 1.00 0.00 C ATOM 104 O ALA A 7 38.080 5.974 -3.918 1.00 0.00 O ATOM 105 CB ALA A 7 39.104 4.321 -5.989 1.00 0.00 C ATOM 0 H ALA A 7 38.416 2.579 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 7 40.752 4.261 -4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 7 39.474 5.205 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 7 39.424 3.426 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 7 38.015 4.351 -5.952 1.00 0.00 H new ATOM 111 N ARG A 8 40.110 6.160 -3.074 1.00 0.00 N ATOM 112 CA ARG A 8 39.751 7.393 -2.322 1.00 0.00 C ATOM 113 C ARG A 8 41.014 8.216 -2.054 1.00 0.00 C ATOM 114 O ARG A 8 41.119 9.354 -2.472 1.00 0.00 O ATOM 115 CB ARG A 8 39.090 7.012 -0.994 1.00 0.00 C ATOM 116 CG ARG A 8 38.056 8.076 -0.616 1.00 0.00 C ATOM 117 CD ARG A 8 37.527 7.799 0.793 1.00 0.00 C ATOM 118 NE ARG A 8 37.087 9.079 1.418 1.00 0.00 N ATOM 119 CZ ARG A 8 36.372 9.062 2.511 1.00 0.00 C ATOM 120 NH1 ARG A 8 35.200 8.488 2.516 1.00 0.00 N ATOM 121 NH2 ARG A 8 36.828 9.622 3.598 1.00 0.00 N ATOM 0 H ARG A 8 41.074 5.849 -2.957 1.00 0.00 H new ATOM 0 HA ARG A 8 39.053 7.987 -2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 8 38.610 6.037 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 8 39.844 6.927 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 8 38.507 9.067 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 8 37.234 8.070 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 8 36.694 7.098 0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 8 38.304 7.333 1.400 1.00 0.00 H new ATOM 0 HE ARG A 8 37.345 9.969 0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 8 34.842 8.052 1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 8 34.642 8.475 3.370 1.00 0.00 H new ATOM 0 HH21 ARG A 8 37.743 10.073 3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 8 36.270 9.609 4.451 1.00 0.00 H new ATOM 135 N LYS A 9 41.972 7.648 -1.365 1.00 0.00 N ATOM 136 CA LYS A 9 43.228 8.388 -1.072 1.00 0.00 C ATOM 137 C LYS A 9 44.391 7.740 -1.828 1.00 0.00 C ATOM 138 O LYS A 9 45.151 6.968 -1.274 1.00 0.00 O ATOM 139 CB LYS A 9 43.512 8.358 0.433 1.00 0.00 C ATOM 140 CG LYS A 9 44.650 9.331 0.753 1.00 0.00 C ATOM 141 CD LYS A 9 44.911 9.347 2.262 1.00 0.00 C ATOM 142 CE LYS A 9 45.890 10.475 2.598 1.00 0.00 C ATOM 143 NZ LYS A 9 45.548 11.056 3.928 1.00 0.00 N ATOM 0 H LYS A 9 41.934 6.699 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 9 43.118 9.424 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 9 42.616 8.633 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 9 43.783 7.349 0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 9 45.554 9.035 0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 9 44.392 10.333 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 9 43.975 9.490 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 9 45.320 8.389 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 9 46.911 10.093 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 9 45.847 11.248 1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 46.214 11.822 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 44.580 11.435 3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 45.611 10.316 4.656 1.00 0.00 H new ATOM 157 N ARG A 10 44.531 8.053 -3.090 1.00 0.00 N ATOM 158 CA ARG A 10 45.635 7.470 -3.896 1.00 0.00 C ATOM 159 C ARG A 10 46.349 8.592 -4.656 1.00 0.00 C ATOM 160 O ARG A 10 46.226 8.719 -5.860 1.00 0.00 O ATOM 161 CB ARG A 10 45.060 6.449 -4.884 1.00 0.00 C ATOM 162 CG ARG A 10 46.110 5.374 -5.186 1.00 0.00 C ATOM 163 CD ARG A 10 46.815 5.699 -6.505 1.00 0.00 C ATOM 164 NE ARG A 10 45.886 5.442 -7.641 1.00 0.00 N ATOM 165 CZ ARG A 10 45.804 4.249 -8.162 1.00 0.00 C ATOM 166 NH1 ARG A 10 46.797 3.773 -8.864 1.00 0.00 N ATOM 167 NH2 ARG A 10 44.729 3.532 -7.984 1.00 0.00 N ATOM 0 H ARG A 10 43.920 8.693 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 10 46.348 6.968 -3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 10 44.164 5.989 -4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 10 44.762 6.949 -5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 10 46.838 5.325 -4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 10 45.635 4.395 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 10 47.135 6.741 -6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 10 47.712 5.089 -6.610 1.00 0.00 H new ATOM 0 HE ARG A 10 45.313 6.200 -8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 10 47.637 4.334 -9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 10 46.733 2.840 -9.271 1.00 0.00 H new ATOM 0 HH21 ARG A 10 43.952 3.904 -7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 10 44.665 2.599 -8.391 1.00 0.00 H new ATOM 181 N LYS A 11 47.092 9.409 -3.952 1.00 0.00 N ATOM 182 CA LYS A 11 47.817 10.528 -4.608 1.00 0.00 C ATOM 183 C LYS A 11 49.169 10.735 -3.917 1.00 0.00 C ATOM 184 O LYS A 11 49.625 9.898 -3.160 1.00 0.00 O ATOM 185 CB LYS A 11 46.975 11.810 -4.498 1.00 0.00 C ATOM 186 CG LYS A 11 46.525 12.260 -5.891 1.00 0.00 C ATOM 187 CD LYS A 11 45.277 13.141 -5.766 1.00 0.00 C ATOM 188 CE LYS A 11 44.023 12.296 -5.998 1.00 0.00 C ATOM 189 NZ LYS A 11 43.456 11.876 -4.685 1.00 0.00 N ATOM 0 H LYS A 11 47.225 9.344 -2.943 1.00 0.00 H new ATOM 0 HA LYS A 11 47.984 10.293 -5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 11 46.105 11.631 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 11 47.558 12.599 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 11 47.326 12.813 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 11 46.309 11.391 -6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 11 45.241 13.599 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 11 45.319 13.953 -6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 11 43.284 12.869 -6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.268 11.419 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 42.486 11.528 -4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 44.042 11.118 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 43.444 12.689 -4.036 1.00 0.00 H new ATOM 203 N ARG A 12 49.804 11.849 -4.171 1.00 0.00 N ATOM 204 CA ARG A 12 51.124 12.137 -3.535 1.00 0.00 C ATOM 205 C ARG A 12 50.899 12.954 -2.260 1.00 0.00 C ATOM 206 O ARG A 12 51.570 13.941 -2.016 1.00 0.00 O ATOM 207 CB ARG A 12 52.000 12.930 -4.513 1.00 0.00 C ATOM 208 CG ARG A 12 51.264 14.195 -4.962 1.00 0.00 C ATOM 209 CD ARG A 12 52.238 15.119 -5.696 1.00 0.00 C ATOM 210 NE ARG A 12 53.355 15.492 -4.784 1.00 0.00 N ATOM 211 CZ ARG A 12 54.552 15.687 -5.267 1.00 0.00 C ATOM 212 NH1 ARG A 12 55.090 14.796 -6.053 1.00 0.00 N ATOM 213 NH2 ARG A 12 55.209 16.773 -4.965 1.00 0.00 N ATOM 0 H ARG A 12 49.462 12.578 -4.797 1.00 0.00 H new ATOM 0 HA ARG A 12 51.625 11.202 -3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 12 52.943 13.197 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 12 52.244 12.314 -5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 12 50.433 13.932 -5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 12 50.840 14.708 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 12 52.630 14.621 -6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 12 51.719 16.015 -6.037 1.00 0.00 H new ATOM 0 HE ARG A 12 53.185 15.595 -3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 12 54.575 13.948 -6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 12 56.025 14.948 -6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 12 54.787 17.470 -4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 12 56.144 16.925 -5.343 1.00 0.00 H new ATOM 227 N THR A 13 49.963 12.543 -1.439 1.00 0.00 N ATOM 228 CA THR A 13 49.696 13.285 -0.173 1.00 0.00 C ATOM 229 C THR A 13 50.756 12.890 0.851 1.00 0.00 C ATOM 230 O THR A 13 51.204 13.699 1.641 1.00 0.00 O ATOM 231 CB THR A 13 48.305 12.920 0.352 1.00 0.00 C ATOM 232 OG1 THR A 13 47.342 13.158 -0.665 1.00 0.00 O ATOM 233 CG2 THR A 13 47.976 13.774 1.578 1.00 0.00 C ATOM 0 H THR A 13 49.374 11.725 -1.593 1.00 0.00 H new ATOM 0 HA THR A 13 49.734 14.360 -0.351 1.00 0.00 H new ATOM 0 HB THR A 13 48.288 11.867 0.633 1.00 0.00 H new ATOM 0 HG1 THR A 13 46.450 12.924 -0.333 1.00 0.00 H new ATOM 0 HG21 THR A 13 46.985 13.512 1.949 1.00 0.00 H new ATOM 0 HG22 THR A 13 48.716 13.591 2.358 1.00 0.00 H new ATOM 0 HG23 THR A 13 47.992 14.828 1.302 1.00 0.00 H new ATOM 241 N SER A 14 51.174 11.652 0.821 1.00 0.00 N ATOM 242 CA SER A 14 52.227 11.187 1.767 1.00 0.00 C ATOM 243 C SER A 14 53.154 10.197 1.059 1.00 0.00 C ATOM 244 O SER A 14 53.795 9.374 1.684 1.00 0.00 O ATOM 245 CB SER A 14 51.579 10.514 2.977 1.00 0.00 C ATOM 246 OG SER A 14 51.033 11.512 3.831 1.00 0.00 O ATOM 0 H SER A 14 50.828 10.940 0.178 1.00 0.00 H new ATOM 0 HA SER A 14 52.808 12.045 2.106 1.00 0.00 H new ATOM 0 HB2 SER A 14 50.796 9.829 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 14 52.317 9.921 3.517 1.00 0.00 H new ATOM 0 HG SER A 14 50.615 11.085 4.608 1.00 0.00 H new ATOM 252 N ILE A 15 53.242 10.295 -0.240 1.00 0.00 N ATOM 253 CA ILE A 15 54.137 9.388 -1.018 1.00 0.00 C ATOM 254 C ILE A 15 54.572 10.106 -2.297 1.00 0.00 C ATOM 255 O ILE A 15 54.142 9.773 -3.387 1.00 0.00 O ATOM 256 CB ILE A 15 53.412 8.069 -1.364 1.00 0.00 C ATOM 257 CG1 ILE A 15 53.204 7.239 -0.083 1.00 0.00 C ATOM 258 CG2 ILE A 15 54.252 7.247 -2.363 1.00 0.00 C ATOM 259 CD1 ILE A 15 54.561 6.866 0.538 1.00 0.00 C ATOM 0 H ILE A 15 52.726 10.972 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 15 55.012 9.140 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 15 52.447 8.308 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 15 52.612 7.807 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 15 52.642 6.335 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 15 53.731 6.319 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 15 54.399 7.824 -3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 15 55.221 7.016 -1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 15 54.398 6.280 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 15 55.139 6.279 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 15 55.109 7.775 0.788 1.00 0.00 H new ATOM 271 N GLU A 16 55.442 11.070 -2.171 1.00 0.00 N ATOM 272 CA GLU A 16 55.939 11.792 -3.366 1.00 0.00 C ATOM 273 C GLU A 16 56.736 10.805 -4.212 1.00 0.00 C ATOM 274 O GLU A 16 57.212 9.800 -3.718 1.00 0.00 O ATOM 275 CB GLU A 16 56.838 12.953 -2.936 1.00 0.00 C ATOM 276 CG GLU A 16 56.060 13.882 -2.002 1.00 0.00 C ATOM 277 CD GLU A 16 56.976 15.011 -1.526 1.00 0.00 C ATOM 278 OE1 GLU A 16 57.889 14.727 -0.769 1.00 0.00 O ATOM 279 OE2 GLU A 16 56.748 16.141 -1.927 1.00 0.00 O ATOM 0 H GLU A 16 55.830 11.388 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 16 55.105 12.196 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 16 57.725 12.572 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 16 57.182 13.504 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 16 55.195 14.295 -2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 16 55.681 13.322 -1.147 1.00 0.00 H new ATOM 286 N ASN A 17 56.871 11.072 -5.477 1.00 0.00 N ATOM 287 CA ASN A 17 57.630 10.140 -6.360 1.00 0.00 C ATOM 288 C ASN A 17 59.080 10.051 -5.888 1.00 0.00 C ATOM 289 O ASN A 17 59.742 9.049 -6.086 1.00 0.00 O ATOM 290 CB ASN A 17 57.584 10.645 -7.804 1.00 0.00 C ATOM 291 CG ASN A 17 56.395 10.010 -8.527 1.00 0.00 C ATOM 292 OD1 ASN A 17 56.507 8.931 -9.075 1.00 0.00 O ATOM 293 ND2 ASN A 17 55.250 10.636 -8.548 1.00 0.00 N ATOM 0 H ASN A 17 56.489 11.896 -5.942 1.00 0.00 H new ATOM 0 HA ASN A 17 57.177 9.150 -6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 17 57.494 11.731 -7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 17 58.512 10.395 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 17 54.450 10.220 -9.024 1.00 0.00 H new ATOM 0 HD22 ASN A 17 55.155 11.542 -8.088 1.00 0.00 H new ATOM 300 N ARG A 18 59.573 11.084 -5.254 1.00 0.00 N ATOM 301 CA ARG A 18 60.974 11.052 -4.755 1.00 0.00 C ATOM 302 C ARG A 18 61.020 10.277 -3.439 1.00 0.00 C ATOM 303 O ARG A 18 62.040 9.714 -3.085 1.00 0.00 O ATOM 304 CB ARG A 18 61.479 12.481 -4.528 1.00 0.00 C ATOM 305 CG ARG A 18 61.310 13.298 -5.812 1.00 0.00 C ATOM 306 CD ARG A 18 61.776 14.735 -5.570 1.00 0.00 C ATOM 307 NE ARG A 18 61.180 15.631 -6.602 1.00 0.00 N ATOM 308 CZ ARG A 18 61.562 16.877 -6.686 1.00 0.00 C ATOM 309 NH1 ARG A 18 62.831 17.164 -6.792 1.00 0.00 N ATOM 310 NH2 ARG A 18 60.676 17.834 -6.666 1.00 0.00 N ATOM 0 H ARG A 18 59.063 11.946 -5.062 1.00 0.00 H new ATOM 0 HA ARG A 18 61.611 10.563 -5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 18 60.925 12.948 -3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 18 62.528 12.464 -4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 18 61.888 12.849 -6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 18 60.266 13.291 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 18 61.479 15.062 -4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 18 62.864 14.788 -5.612 1.00 0.00 H new ATOM 0 HE ARG A 18 60.473 15.270 -7.243 1.00 0.00 H new ATOM 0 HH11 ARG A 18 63.523 16.415 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 18 63.130 18.137 -6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 18 59.684 17.609 -6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 18 60.975 18.807 -6.732 1.00 0.00 H new ATOM 324 N VAL A 19 59.927 10.237 -2.710 1.00 0.00 N ATOM 325 CA VAL A 19 59.930 9.490 -1.422 1.00 0.00 C ATOM 326 C VAL A 19 60.021 7.996 -1.710 1.00 0.00 C ATOM 327 O VAL A 19 60.769 7.286 -1.078 1.00 0.00 O ATOM 328 CB VAL A 19 58.671 9.844 -0.574 1.00 0.00 C ATOM 329 CG1 VAL A 19 57.528 8.815 -0.701 1.00 0.00 C ATOM 330 CG2 VAL A 19 59.099 9.910 0.892 1.00 0.00 C ATOM 0 H VAL A 19 59.044 10.687 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 19 60.799 9.781 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 19 58.284 10.793 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 19 56.686 9.128 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 19 57.210 8.751 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 19 57.879 7.838 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 19 58.237 10.157 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.501 8.944 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 19 59.864 10.677 1.013 1.00 0.00 H new ATOM 340 N ARG A 20 59.242 7.516 -2.641 1.00 0.00 N ATOM 341 CA ARG A 20 59.277 6.059 -2.953 1.00 0.00 C ATOM 342 C ARG A 20 60.651 5.678 -3.474 1.00 0.00 C ATOM 343 O ARG A 20 61.254 4.721 -3.006 1.00 0.00 O ATOM 344 CB ARG A 20 58.201 5.725 -3.994 1.00 0.00 C ATOM 345 CG ARG A 20 57.470 4.442 -3.588 1.00 0.00 C ATOM 346 CD ARG A 20 56.010 4.516 -4.042 1.00 0.00 C ATOM 347 NE ARG A 20 55.945 4.426 -5.528 1.00 0.00 N ATOM 348 CZ ARG A 20 55.114 3.592 -6.094 1.00 0.00 C ATOM 349 NH1 ARG A 20 53.828 3.732 -5.920 1.00 0.00 N ATOM 350 NH2 ARG A 20 55.569 2.617 -6.833 1.00 0.00 N ATOM 0 H ARG A 20 58.587 8.066 -3.196 1.00 0.00 H new ATOM 0 HA ARG A 20 59.076 5.490 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 20 57.492 6.549 -4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 20 58.658 5.600 -4.976 1.00 0.00 H new ATOM 0 HG2 ARG A 20 57.957 3.576 -4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 20 57.519 4.310 -2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 20 55.437 3.705 -3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 20 55.560 5.449 -3.704 1.00 0.00 H new ATOM 0 HE ARG A 20 56.548 5.015 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 20 53.471 4.493 -5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 20 53.180 3.081 -6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 20 56.574 2.506 -6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 20 54.920 1.966 -7.275 1.00 0.00 H new ATOM 364 N TRP A 21 61.167 6.403 -4.432 1.00 0.00 N ATOM 365 CA TRP A 21 62.506 6.035 -4.944 1.00 0.00 C ATOM 366 C TRP A 21 63.566 6.434 -3.910 1.00 0.00 C ATOM 367 O TRP A 21 64.691 5.976 -3.971 1.00 0.00 O ATOM 368 CB TRP A 21 62.750 6.633 -6.342 1.00 0.00 C ATOM 369 CG TRP A 21 62.629 5.503 -7.330 1.00 0.00 C ATOM 370 CD1 TRP A 21 63.446 5.273 -8.384 1.00 0.00 C ATOM 371 CD2 TRP A 21 61.659 4.411 -7.319 1.00 0.00 C ATOM 372 NE1 TRP A 21 63.041 4.103 -9.013 1.00 0.00 N ATOM 373 CE2 TRP A 21 61.942 3.538 -8.390 1.00 0.00 C ATOM 374 CE3 TRP A 21 60.570 4.100 -6.485 1.00 0.00 C ATOM 375 CZ2 TRP A 21 61.171 2.389 -8.615 1.00 0.00 C ATOM 376 CZ3 TRP A 21 59.798 2.959 -6.704 1.00 0.00 C ATOM 377 CH2 TRP A 21 60.099 2.099 -7.766 1.00 0.00 C ATOM 0 H TRP A 21 60.727 7.213 -4.869 1.00 0.00 H new ATOM 0 HA TRP A 21 62.572 4.955 -5.079 1.00 0.00 H new ATOM 0 HB2 TRP A 21 62.023 7.415 -6.559 1.00 0.00 H new ATOM 0 HB3 TRP A 21 63.737 7.091 -6.399 1.00 0.00 H new ATOM 0 HD1 TRP A 21 64.275 5.896 -8.686 1.00 0.00 H new ATOM 0 HE1 TRP A 21 63.498 3.708 -9.835 1.00 0.00 H new ATOM 0 HE3 TRP A 21 60.328 4.755 -5.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.404 1.732 -9.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 58.966 2.739 -6.052 1.00 0.00 H new ATOM 0 HH2 TRP A 21 59.504 1.213 -7.929 1.00 0.00 H new ATOM 388 N SER A 22 63.190 7.200 -2.898 1.00 0.00 N ATOM 389 CA SER A 22 64.153 7.510 -1.813 1.00 0.00 C ATOM 390 C SER A 22 64.292 6.211 -1.019 1.00 0.00 C ATOM 391 O SER A 22 65.375 5.810 -0.635 1.00 0.00 O ATOM 392 CB SER A 22 63.618 8.626 -0.914 1.00 0.00 C ATOM 393 OG SER A 22 64.487 8.784 0.201 1.00 0.00 O ATOM 0 H SER A 22 62.264 7.613 -2.791 1.00 0.00 H new ATOM 0 HA SER A 22 65.108 7.856 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 22 63.551 9.559 -1.473 1.00 0.00 H new ATOM 0 HB3 SER A 22 62.611 8.385 -0.574 1.00 0.00 H new ATOM 0 HG SER A 22 64.150 9.499 0.780 1.00 0.00 H new ATOM 399 N LEU A 23 63.184 5.506 -0.837 1.00 0.00 N ATOM 400 CA LEU A 23 63.223 4.180 -0.146 1.00 0.00 C ATOM 401 C LEU A 23 64.247 3.323 -0.880 1.00 0.00 C ATOM 402 O LEU A 23 65.063 2.652 -0.289 1.00 0.00 O ATOM 403 CB LEU A 23 61.864 3.469 -0.272 1.00 0.00 C ATOM 404 CG LEU A 23 60.735 4.268 0.373 1.00 0.00 C ATOM 405 CD1 LEU A 23 59.423 3.887 -0.318 1.00 0.00 C ATOM 406 CD2 LEU A 23 60.632 3.912 1.859 1.00 0.00 C ATOM 0 H LEU A 23 62.257 5.802 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 23 63.466 4.322 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 23 61.637 3.307 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 23 61.925 2.486 0.196 1.00 0.00 H new ATOM 0 HG LEU A 23 60.931 5.335 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.601 4.447 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 23 59.489 4.123 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.243 2.819 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.825 4.485 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.426 2.847 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 23 61.572 4.151 2.356 1.00 0.00 H new ATOM 418 N GLU A 24 64.189 3.364 -2.186 1.00 0.00 N ATOM 419 CA GLU A 24 65.145 2.571 -3.026 1.00 0.00 C ATOM 420 C GLU A 24 66.595 2.892 -2.649 1.00 0.00 C ATOM 421 O GLU A 24 67.375 2.007 -2.347 1.00 0.00 O ATOM 422 CB GLU A 24 64.934 2.921 -4.502 1.00 0.00 C ATOM 423 CG GLU A 24 65.402 1.754 -5.375 1.00 0.00 C ATOM 424 CD GLU A 24 65.811 2.279 -6.752 1.00 0.00 C ATOM 425 OE1 GLU A 24 64.936 2.437 -7.588 1.00 0.00 O ATOM 426 OE2 GLU A 24 66.992 2.515 -6.948 1.00 0.00 O ATOM 0 H GLU A 24 63.515 3.918 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 24 64.958 1.511 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 24 63.881 3.130 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.489 3.824 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.244 1.247 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.604 1.019 -5.477 1.00 0.00 H new ATOM 433 N THR A 25 66.965 4.146 -2.685 1.00 0.00 N ATOM 434 CA THR A 25 68.370 4.533 -2.351 1.00 0.00 C ATOM 435 C THR A 25 68.737 4.059 -0.940 1.00 0.00 C ATOM 436 O THR A 25 69.900 3.892 -0.623 1.00 0.00 O ATOM 437 CB THR A 25 68.510 6.055 -2.428 1.00 0.00 C ATOM 438 OG1 THR A 25 67.315 6.664 -1.959 1.00 0.00 O ATOM 439 CG2 THR A 25 68.762 6.472 -3.878 1.00 0.00 C ATOM 0 H THR A 25 66.352 4.923 -2.932 1.00 0.00 H new ATOM 0 HA THR A 25 69.044 4.061 -3.066 1.00 0.00 H new ATOM 0 HB THR A 25 69.348 6.375 -1.809 1.00 0.00 H new ATOM 0 HG1 THR A 25 66.945 6.134 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 25 68.862 7.556 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 25 69.679 6.005 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 25 67.925 6.153 -4.499 1.00 0.00 H new ATOM 447 N MET A 26 67.763 3.859 -0.088 1.00 0.00 N ATOM 448 CA MET A 26 68.068 3.413 1.306 1.00 0.00 C ATOM 449 C MET A 26 68.174 1.882 1.382 1.00 0.00 C ATOM 450 O MET A 26 68.842 1.348 2.247 1.00 0.00 O ATOM 451 CB MET A 26 66.953 3.891 2.238 1.00 0.00 C ATOM 452 CG MET A 26 67.011 5.414 2.361 1.00 0.00 C ATOM 453 SD MET A 26 65.657 5.987 3.418 1.00 0.00 S ATOM 454 CE MET A 26 66.675 6.718 4.724 1.00 0.00 C ATOM 0 H MET A 26 66.772 3.985 -0.296 1.00 0.00 H new ATOM 0 HA MET A 26 69.024 3.840 1.609 1.00 0.00 H new ATOM 0 HB2 MET A 26 65.982 3.583 1.849 1.00 0.00 H new ATOM 0 HB3 MET A 26 67.063 3.431 3.220 1.00 0.00 H new ATOM 0 HG2 MET A 26 67.969 5.719 2.782 1.00 0.00 H new ATOM 0 HG3 MET A 26 66.936 5.872 1.375 1.00 0.00 H new ATOM 0 HE1 MET A 26 66.030 7.139 5.495 1.00 0.00 H new ATOM 0 HE2 MET A 26 67.311 5.949 5.163 1.00 0.00 H new ATOM 0 HE3 MET A 26 67.298 7.507 4.302 1.00 0.00 H new ATOM 464 N PHE A 27 67.512 1.174 0.500 1.00 0.00 N ATOM 465 CA PHE A 27 67.564 -0.322 0.539 1.00 0.00 C ATOM 466 C PHE A 27 68.691 -0.867 -0.349 1.00 0.00 C ATOM 467 O PHE A 27 69.021 -2.037 -0.278 1.00 0.00 O ATOM 468 CB PHE A 27 66.223 -0.896 0.063 1.00 0.00 C ATOM 469 CG PHE A 27 65.240 -0.855 1.208 1.00 0.00 C ATOM 470 CD1 PHE A 27 65.372 -1.751 2.274 1.00 0.00 C ATOM 471 CD2 PHE A 27 64.203 0.085 1.209 1.00 0.00 C ATOM 472 CE1 PHE A 27 64.468 -1.707 3.341 1.00 0.00 C ATOM 473 CE2 PHE A 27 63.299 0.128 2.275 1.00 0.00 C ATOM 474 CZ PHE A 27 63.431 -0.767 3.340 1.00 0.00 C ATOM 0 H PHE A 27 66.938 1.567 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 27 67.760 -0.625 1.567 1.00 0.00 H new ATOM 0 HB2 PHE A 27 65.844 -0.319 -0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 27 66.354 -1.921 -0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 27 66.172 -2.477 2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 27 64.101 0.777 0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 27 64.570 -2.398 4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 27 62.499 0.853 2.275 1.00 0.00 H new ATOM 0 HZ PHE A 27 62.732 -0.733 4.163 1.00 0.00 H new ATOM 484 N LEU A 28 69.264 -0.052 -1.201 1.00 0.00 N ATOM 485 CA LEU A 28 70.342 -0.556 -2.104 1.00 0.00 C ATOM 486 C LEU A 28 71.731 -0.385 -1.471 1.00 0.00 C ATOM 487 O LEU A 28 72.734 -0.439 -2.158 1.00 0.00 O ATOM 488 CB LEU A 28 70.267 0.195 -3.435 1.00 0.00 C ATOM 489 CG LEU A 28 68.906 -0.081 -4.082 1.00 0.00 C ATOM 490 CD1 LEU A 28 68.741 0.785 -5.330 1.00 0.00 C ATOM 491 CD2 LEU A 28 68.815 -1.559 -4.474 1.00 0.00 C ATOM 0 H LEU A 28 69.032 0.935 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 28 70.190 -1.622 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 28 70.398 1.265 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 28 71.071 -0.127 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 28 68.116 0.158 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 28 67.772 0.585 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 28 68.801 1.838 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 28 69.532 0.551 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 28 67.846 -1.754 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 28 69.608 -1.797 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 28 68.926 -2.179 -3.584 1.00 0.00 H new ATOM 503 N LYS A 29 71.806 -0.207 -0.172 1.00 0.00 N ATOM 504 CA LYS A 29 73.143 -0.066 0.486 1.00 0.00 C ATOM 505 C LYS A 29 73.466 -1.370 1.225 1.00 0.00 C ATOM 506 O LYS A 29 74.577 -1.863 1.194 1.00 0.00 O ATOM 507 CB LYS A 29 73.136 1.131 1.460 1.00 0.00 C ATOM 508 CG LYS A 29 72.296 0.832 2.712 1.00 0.00 C ATOM 509 CD LYS A 29 72.354 2.036 3.656 1.00 0.00 C ATOM 510 CE LYS A 29 71.564 1.727 4.927 1.00 0.00 C ATOM 511 NZ LYS A 29 71.502 2.945 5.783 1.00 0.00 N ATOM 0 H LYS A 29 71.004 -0.154 0.456 1.00 0.00 H new ATOM 0 HA LYS A 29 73.910 0.123 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.158 1.368 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 29 72.738 2.011 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 29 71.264 0.624 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 29 72.675 -0.058 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.390 2.266 3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 29 71.942 2.917 3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 29 70.557 1.398 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 29 72.037 0.910 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 70.964 2.734 6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 72.466 3.240 6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 71.032 3.712 5.261 1.00 0.00 H new ATOM 525 N CYS A 30 72.481 -1.928 1.876 1.00 0.00 N ATOM 526 CA CYS A 30 72.675 -3.200 2.614 1.00 0.00 C ATOM 527 C CYS A 30 71.418 -4.070 2.409 1.00 0.00 C ATOM 528 O CYS A 30 70.321 -3.591 2.618 1.00 0.00 O ATOM 529 CB CYS A 30 72.854 -2.910 4.106 1.00 0.00 C ATOM 530 SG CYS A 30 74.331 -1.892 4.353 1.00 0.00 S ATOM 0 H CYS A 30 71.536 -1.546 1.926 1.00 0.00 H new ATOM 0 HA CYS A 30 73.561 -3.717 2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 30 71.976 -2.395 4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 30 72.947 -3.844 4.660 1.00 0.00 H new ATOM 0 HG CYS A 30 74.955 -1.751 3.221 1.00 0.00 H new ATOM 536 N PRO A 31 71.585 -5.321 2.010 1.00 0.00 N ATOM 537 CA PRO A 31 70.445 -6.225 1.789 1.00 0.00 C ATOM 538 C PRO A 31 70.061 -6.925 3.097 1.00 0.00 C ATOM 539 O PRO A 31 69.513 -8.013 3.076 1.00 0.00 O ATOM 540 CB PRO A 31 70.998 -7.263 0.813 1.00 0.00 C ATOM 541 CG PRO A 31 72.532 -7.262 1.007 1.00 0.00 C ATOM 542 CD PRO A 31 72.891 -5.949 1.725 1.00 0.00 C ATOM 0 HA PRO A 31 69.560 -5.704 1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 31 70.581 -8.249 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 31 70.735 -7.010 -0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 31 72.847 -8.123 1.596 1.00 0.00 H new ATOM 0 HG3 PRO A 31 73.043 -7.329 0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 31 73.451 -6.137 2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 31 73.512 -5.309 1.098 1.00 0.00 H new ATOM 550 N LYS A 32 70.361 -6.333 4.233 1.00 0.00 N ATOM 551 CA LYS A 32 70.033 -6.998 5.522 1.00 0.00 C ATOM 552 C LYS A 32 69.060 -6.151 6.391 1.00 0.00 C ATOM 553 O LYS A 32 69.291 -6.014 7.578 1.00 0.00 O ATOM 554 CB LYS A 32 71.339 -7.225 6.300 1.00 0.00 C ATOM 555 CG LYS A 32 72.140 -5.917 6.369 1.00 0.00 C ATOM 556 CD LYS A 32 72.956 -5.881 7.664 1.00 0.00 C ATOM 557 CE LYS A 32 72.185 -5.109 8.737 1.00 0.00 C ATOM 558 NZ LYS A 32 73.147 -4.538 9.721 1.00 0.00 N ATOM 0 H LYS A 32 70.816 -5.424 4.315 1.00 0.00 H new ATOM 0 HA LYS A 32 69.536 -7.942 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 32 71.116 -7.579 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 32 71.932 -8.000 5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 32 72.803 -5.839 5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 32 71.464 -5.063 6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 32 73.158 -6.896 8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 32 73.921 -5.407 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 32 71.601 -4.312 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 32 71.481 -5.770 9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 72.626 -4.013 10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 73.686 -5.308 10.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 73.802 -3.894 9.233 1.00 0.00 H new ATOM 572 N PRO A 33 67.986 -5.616 5.820 1.00 0.00 N ATOM 573 CA PRO A 33 67.018 -4.826 6.608 1.00 0.00 C ATOM 574 C PRO A 33 66.127 -5.758 7.438 1.00 0.00 C ATOM 575 O PRO A 33 65.718 -6.809 6.983 1.00 0.00 O ATOM 576 CB PRO A 33 66.189 -4.093 5.553 1.00 0.00 C ATOM 577 CG PRO A 33 66.323 -4.913 4.254 1.00 0.00 C ATOM 578 CD PRO A 33 67.626 -5.726 4.383 1.00 0.00 C ATOM 0 HA PRO A 33 67.499 -4.144 7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 33 65.146 -4.019 5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 33 66.553 -3.075 5.410 1.00 0.00 H new ATOM 0 HG2 PRO A 33 65.466 -5.573 4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 33 66.359 -4.258 3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 33 67.478 -6.765 4.088 1.00 0.00 H new ATOM 0 HD3 PRO A 33 68.412 -5.323 3.744 1.00 0.00 H new ATOM 586 N SER A 34 65.824 -5.372 8.649 1.00 0.00 N ATOM 587 CA SER A 34 64.959 -6.213 9.522 1.00 0.00 C ATOM 588 C SER A 34 63.506 -5.819 9.334 1.00 0.00 C ATOM 589 O SER A 34 63.208 -4.705 8.955 1.00 0.00 O ATOM 590 CB SER A 34 65.352 -5.995 10.983 1.00 0.00 C ATOM 591 OG SER A 34 66.531 -6.736 11.269 1.00 0.00 O ATOM 0 H SER A 34 66.143 -4.501 9.073 1.00 0.00 H new ATOM 0 HA SER A 34 65.089 -7.262 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 34 65.521 -4.935 11.172 1.00 0.00 H new ATOM 0 HB3 SER A 34 64.542 -6.311 11.640 1.00 0.00 H new ATOM 0 HG SER A 34 66.786 -6.596 12.205 1.00 0.00 H new ATOM 597 N LEU A 35 62.590 -6.709 9.639 1.00 0.00 N ATOM 598 CA LEU A 35 61.144 -6.349 9.533 1.00 0.00 C ATOM 599 C LEU A 35 60.887 -5.175 10.484 1.00 0.00 C ATOM 600 O LEU A 35 59.980 -4.384 10.292 1.00 0.00 O ATOM 601 CB LEU A 35 60.275 -7.540 9.943 1.00 0.00 C ATOM 602 CG LEU A 35 60.550 -8.717 9.001 1.00 0.00 C ATOM 603 CD1 LEU A 35 61.383 -9.777 9.726 1.00 0.00 C ATOM 604 CD2 LEU A 35 59.223 -9.337 8.549 1.00 0.00 C ATOM 0 H LEU A 35 62.781 -7.660 9.954 1.00 0.00 H new ATOM 0 HA LEU A 35 60.895 -6.078 8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 35 60.491 -7.825 10.972 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.221 -7.266 9.903 1.00 0.00 H new ATOM 0 HG LEU A 35 61.099 -8.356 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 35 61.576 -10.612 9.052 1.00 0.00 H new ATOM 0 HD12 LEU A 35 62.330 -9.341 10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 60.837 -10.134 10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 35 59.422 -10.174 7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 35 58.672 -9.692 9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 35 58.630 -8.587 8.026 1.00 0.00 H new ATOM 616 N GLN A 36 61.725 -5.041 11.490 1.00 0.00 N ATOM 617 CA GLN A 36 61.580 -3.903 12.436 1.00 0.00 C ATOM 618 C GLN A 36 61.958 -2.643 11.670 1.00 0.00 C ATOM 619 O GLN A 36 61.312 -1.620 11.771 1.00 0.00 O ATOM 620 CB GLN A 36 62.524 -4.087 13.625 1.00 0.00 C ATOM 621 CG GLN A 36 61.881 -5.023 14.650 1.00 0.00 C ATOM 622 CD GLN A 36 62.290 -4.597 16.061 1.00 0.00 C ATOM 623 OE1 GLN A 36 63.042 -5.285 16.722 1.00 0.00 O ATOM 624 NE2 GLN A 36 61.825 -3.482 16.553 1.00 0.00 N ATOM 0 H GLN A 36 62.499 -5.674 11.689 1.00 0.00 H new ATOM 0 HA GLN A 36 60.561 -3.842 12.819 1.00 0.00 H new ATOM 0 HB2 GLN A 36 63.475 -4.499 13.287 1.00 0.00 H new ATOM 0 HB3 GLN A 36 62.740 -3.122 14.084 1.00 0.00 H new ATOM 0 HG2 GLN A 36 60.796 -4.996 14.551 1.00 0.00 H new ATOM 0 HG3 GLN A 36 62.193 -6.051 14.465 1.00 0.00 H new ATOM 0 HE21 GLN A 36 61.194 -2.904 15.998 1.00 0.00 H new ATOM 0 HE22 GLN A 36 62.093 -3.188 17.492 1.00 0.00 H new ATOM 633 N GLN A 37 62.997 -2.734 10.878 1.00 0.00 N ATOM 634 CA GLN A 37 63.432 -1.570 10.060 1.00 0.00 C ATOM 635 C GLN A 37 62.318 -1.215 9.074 1.00 0.00 C ATOM 636 O GLN A 37 62.155 -0.069 8.709 1.00 0.00 O ATOM 637 CB GLN A 37 64.704 -1.928 9.285 1.00 0.00 C ATOM 638 CG GLN A 37 65.247 -0.677 8.589 1.00 0.00 C ATOM 639 CD GLN A 37 66.564 -1.011 7.884 1.00 0.00 C ATOM 640 OE1 GLN A 37 66.658 -0.928 6.674 1.00 0.00 O ATOM 641 NE2 GLN A 37 67.593 -1.390 8.592 1.00 0.00 N ATOM 0 H GLN A 37 63.565 -3.574 10.765 1.00 0.00 H new ATOM 0 HA GLN A 37 63.638 -0.720 10.711 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.454 -2.334 9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 37 64.488 -2.702 8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 37 64.520 -0.306 7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.405 0.117 9.318 1.00 0.00 H new ATOM 0 HE21 GLN A 37 67.516 -1.460 9.607 1.00 0.00 H new ATOM 0 HE22 GLN A 37 68.474 -1.616 8.131 1.00 0.00 H new ATOM 650 N ILE A 38 61.537 -2.189 8.655 1.00 0.00 N ATOM 651 CA ILE A 38 60.424 -1.892 7.708 1.00 0.00 C ATOM 652 C ILE A 38 59.376 -1.072 8.467 1.00 0.00 C ATOM 653 O ILE A 38 58.739 -0.202 7.909 1.00 0.00 O ATOM 654 CB ILE A 38 59.832 -3.214 7.140 1.00 0.00 C ATOM 655 CG1 ILE A 38 60.689 -3.683 5.950 1.00 0.00 C ATOM 656 CG2 ILE A 38 58.382 -3.020 6.651 1.00 0.00 C ATOM 657 CD1 ILE A 38 60.714 -2.608 4.851 1.00 0.00 C ATOM 0 H ILE A 38 61.626 -3.167 8.929 1.00 0.00 H new ATOM 0 HA ILE A 38 60.780 -1.318 6.852 1.00 0.00 H new ATOM 0 HB ILE A 38 59.835 -3.954 7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 38 61.705 -3.893 6.285 1.00 0.00 H new ATOM 0 HG13 ILE A 38 60.287 -4.613 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 38 58.000 -3.963 6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 38 57.758 -2.692 7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 38 58.361 -2.267 5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 38 61.324 -2.955 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 38 59.698 -2.419 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 38 61.138 -1.687 5.252 1.00 0.00 H new ATOM 669 N THR A 39 59.214 -1.335 9.737 1.00 0.00 N ATOM 670 CA THR A 39 58.228 -0.552 10.548 1.00 0.00 C ATOM 671 C THR A 39 58.692 0.905 10.593 1.00 0.00 C ATOM 672 O THR A 39 57.958 1.816 10.257 1.00 0.00 O ATOM 673 CB THR A 39 58.153 -1.115 11.969 1.00 0.00 C ATOM 674 OG1 THR A 39 58.424 -2.509 11.938 1.00 0.00 O ATOM 675 CG2 THR A 39 56.753 -0.876 12.538 1.00 0.00 C ATOM 0 H THR A 39 59.720 -2.057 10.250 1.00 0.00 H new ATOM 0 HA THR A 39 57.238 -0.619 10.096 1.00 0.00 H new ATOM 0 HB THR A 39 58.889 -0.616 12.600 1.00 0.00 H new ATOM 0 HG1 THR A 39 58.378 -2.871 12.847 1.00 0.00 H new ATOM 0 HG21 THR A 39 56.698 -1.277 13.550 1.00 0.00 H new ATOM 0 HG22 THR A 39 56.547 0.194 12.560 1.00 0.00 H new ATOM 0 HG23 THR A 39 56.015 -1.375 11.910 1.00 0.00 H new ATOM 683 N HIS A 40 59.927 1.121 10.972 1.00 0.00 N ATOM 684 CA HIS A 40 60.480 2.509 11.003 1.00 0.00 C ATOM 685 C HIS A 40 60.474 3.076 9.582 1.00 0.00 C ATOM 686 O HIS A 40 60.485 4.275 9.389 1.00 0.00 O ATOM 687 CB HIS A 40 61.911 2.481 11.544 1.00 0.00 C ATOM 688 CG HIS A 40 62.355 3.879 11.875 1.00 0.00 C ATOM 689 ND1 HIS A 40 63.391 4.503 11.198 1.00 0.00 N ATOM 690 CD2 HIS A 40 61.924 4.782 12.815 1.00 0.00 C ATOM 691 CE1 HIS A 40 63.548 5.727 11.736 1.00 0.00 C ATOM 692 NE2 HIS A 40 62.678 5.948 12.725 1.00 0.00 N ATOM 0 H HIS A 40 60.578 0.392 11.262 1.00 0.00 H new ATOM 0 HA HIS A 40 59.869 3.137 11.652 1.00 0.00 H new ATOM 0 HB2 HIS A 40 61.962 1.853 12.433 1.00 0.00 H new ATOM 0 HB3 HIS A 40 62.581 2.042 10.805 1.00 0.00 H new ATOM 0 HD2 HIS A 40 61.121 4.613 13.518 1.00 0.00 H new ATOM 0 HE1 HIS A 40 64.287 6.443 11.408 1.00 0.00 H new ATOM 0 HE2 HIS A 40 62.586 6.791 13.292 1.00 0.00 H new ATOM 700 N ILE A 41 60.425 2.218 8.585 1.00 0.00 N ATOM 701 CA ILE A 41 60.378 2.695 7.181 1.00 0.00 C ATOM 702 C ILE A 41 59.016 3.369 6.991 1.00 0.00 C ATOM 703 O ILE A 41 58.910 4.420 6.413 1.00 0.00 O ATOM 704 CB ILE A 41 60.572 1.469 6.237 1.00 0.00 C ATOM 705 CG1 ILE A 41 61.930 1.579 5.522 1.00 0.00 C ATOM 706 CG2 ILE A 41 59.464 1.347 5.172 1.00 0.00 C ATOM 707 CD1 ILE A 41 62.951 0.667 6.204 1.00 0.00 C ATOM 0 H ILE A 41 60.416 1.204 8.695 1.00 0.00 H new ATOM 0 HA ILE A 41 61.165 3.412 6.948 1.00 0.00 H new ATOM 0 HB ILE A 41 60.527 0.580 6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 41 61.823 1.300 4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 41 62.280 2.611 5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 41 59.655 0.475 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.497 1.236 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 41 59.455 2.243 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 41 63.910 0.749 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 41 63.067 0.966 7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 41 62.604 -0.365 6.160 1.00 0.00 H new ATOM 719 N ALA A 42 57.982 2.749 7.497 1.00 0.00 N ATOM 720 CA ALA A 42 56.607 3.309 7.370 1.00 0.00 C ATOM 721 C ALA A 42 56.556 4.683 8.019 1.00 0.00 C ATOM 722 O ALA A 42 56.211 5.662 7.384 1.00 0.00 O ATOM 723 CB ALA A 42 55.620 2.366 8.057 1.00 0.00 C ATOM 0 H ALA A 42 58.035 1.864 8.001 1.00 0.00 H new ATOM 0 HA ALA A 42 56.341 3.407 6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 42 54.611 2.768 7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 42 55.663 1.386 7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 42 55.882 2.270 9.111 1.00 0.00 H new ATOM 729 N ASN A 43 56.940 4.773 9.264 1.00 0.00 N ATOM 730 CA ASN A 43 56.967 6.103 9.937 1.00 0.00 C ATOM 731 C ASN A 43 57.963 7.005 9.183 1.00 0.00 C ATOM 732 O ASN A 43 57.921 8.217 9.282 1.00 0.00 O ATOM 733 CB ASN A 43 57.423 5.939 11.390 1.00 0.00 C ATOM 734 CG ASN A 43 56.487 4.973 12.117 1.00 0.00 C ATOM 735 OD1 ASN A 43 55.297 5.207 12.199 1.00 0.00 O ATOM 736 ND2 ASN A 43 56.977 3.889 12.656 1.00 0.00 N ATOM 0 H ASN A 43 57.235 3.986 9.842 1.00 0.00 H new ATOM 0 HA ASN A 43 55.972 6.548 9.929 1.00 0.00 H new ATOM 0 HB2 ASN A 43 58.445 5.562 11.420 1.00 0.00 H new ATOM 0 HB3 ASN A 43 57.425 6.906 11.892 1.00 0.00 H new ATOM 0 HD21 ASN A 43 56.361 3.240 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 43 57.975 3.692 12.588 1.00 0.00 H new ATOM 743 N GLN A 44 58.862 6.404 8.430 1.00 0.00 N ATOM 744 CA GLN A 44 59.871 7.185 7.665 1.00 0.00 C ATOM 745 C GLN A 44 59.219 7.879 6.455 1.00 0.00 C ATOM 746 O GLN A 44 59.622 8.966 6.081 1.00 0.00 O ATOM 747 CB GLN A 44 60.983 6.231 7.203 1.00 0.00 C ATOM 748 CG GLN A 44 62.280 6.488 7.982 1.00 0.00 C ATOM 749 CD GLN A 44 62.756 7.923 7.744 1.00 0.00 C ATOM 750 OE1 GLN A 44 63.339 8.220 6.721 1.00 0.00 O ATOM 751 NE2 GLN A 44 62.528 8.831 8.653 1.00 0.00 N ATOM 0 H GLN A 44 58.933 5.393 8.318 1.00 0.00 H new ATOM 0 HA GLN A 44 60.293 7.961 8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 44 60.665 5.198 7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 44 61.162 6.363 6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 44 62.114 6.323 9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 44 63.050 5.783 7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 44 62.038 8.581 9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 44 62.840 9.791 8.504 1.00 0.00 H new ATOM 760 N LEU A 45 58.221 7.278 5.839 1.00 0.00 N ATOM 761 CA LEU A 45 57.568 7.941 4.659 1.00 0.00 C ATOM 762 C LEU A 45 56.035 8.004 4.828 1.00 0.00 C ATOM 763 O LEU A 45 55.303 8.162 3.871 1.00 0.00 O ATOM 764 CB LEU A 45 57.972 7.223 3.352 1.00 0.00 C ATOM 765 CG LEU A 45 57.223 5.903 3.155 1.00 0.00 C ATOM 766 CD1 LEU A 45 57.362 5.450 1.693 1.00 0.00 C ATOM 767 CD2 LEU A 45 57.824 4.850 4.074 1.00 0.00 C ATOM 0 H LEU A 45 57.836 6.370 6.098 1.00 0.00 H new ATOM 0 HA LEU A 45 57.922 8.970 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 45 57.775 7.879 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 45 59.045 7.031 3.363 1.00 0.00 H new ATOM 0 HG LEU A 45 56.168 6.038 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 45 56.829 4.510 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 45 56.940 6.209 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 45 58.416 5.309 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 45 57.296 3.906 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 45 58.878 4.714 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 45 57.729 5.175 5.110 1.00 0.00 H new ATOM 779 N GLY A 46 55.558 7.922 6.045 1.00 0.00 N ATOM 780 CA GLY A 46 54.085 8.018 6.322 1.00 0.00 C ATOM 781 C GLY A 46 53.230 7.178 5.354 1.00 0.00 C ATOM 782 O GLY A 46 52.100 7.532 5.073 1.00 0.00 O ATOM 0 H GLY A 46 56.135 7.790 6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 46 53.892 7.692 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 46 53.777 9.061 6.257 1.00 0.00 H new ATOM 786 N LEU A 47 53.735 6.075 4.860 1.00 0.00 N ATOM 787 CA LEU A 47 52.907 5.230 3.930 1.00 0.00 C ATOM 788 C LEU A 47 52.313 4.038 4.691 1.00 0.00 C ATOM 789 O LEU A 47 52.575 3.836 5.862 1.00 0.00 O ATOM 790 CB LEU A 47 53.756 4.748 2.716 1.00 0.00 C ATOM 791 CG LEU A 47 54.360 3.344 2.913 1.00 0.00 C ATOM 792 CD1 LEU A 47 55.268 3.007 1.726 1.00 0.00 C ATOM 793 CD2 LEU A 47 55.170 3.288 4.204 1.00 0.00 C ATOM 0 H LEU A 47 54.672 5.722 5.054 1.00 0.00 H new ATOM 0 HA LEU A 47 52.089 5.837 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 47 53.131 4.745 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 47 54.561 5.461 2.539 1.00 0.00 H new ATOM 0 HG LEU A 47 53.549 2.619 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 47 55.695 2.014 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 47 54.685 3.025 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 47 56.071 3.742 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 47 55.589 2.289 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 47 55.978 4.018 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 47 54.522 3.517 5.050 1.00 0.00 H new ATOM 805 N GLU A 48 51.541 3.237 4.008 1.00 0.00 N ATOM 806 CA GLU A 48 50.944 2.034 4.639 1.00 0.00 C ATOM 807 C GLU A 48 51.905 0.867 4.429 1.00 0.00 C ATOM 808 O GLU A 48 52.546 0.762 3.404 1.00 0.00 O ATOM 809 CB GLU A 48 49.600 1.723 3.976 1.00 0.00 C ATOM 810 CG GLU A 48 48.650 1.109 5.004 1.00 0.00 C ATOM 811 CD GLU A 48 47.254 0.977 4.391 1.00 0.00 C ATOM 812 OE1 GLU A 48 47.029 0.011 3.680 1.00 0.00 O ATOM 813 OE2 GLU A 48 46.434 1.845 4.641 1.00 0.00 O ATOM 0 H GLU A 48 51.298 3.370 3.026 1.00 0.00 H new ATOM 0 HA GLU A 48 50.780 2.202 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 48 49.167 2.635 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 48 49.745 1.035 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 48 49.016 0.131 5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 48 48.610 1.733 5.897 1.00 0.00 H new ATOM 820 N LYS A 49 52.015 -0.011 5.384 1.00 0.00 N ATOM 821 CA LYS A 49 52.945 -1.175 5.236 1.00 0.00 C ATOM 822 C LYS A 49 52.603 -1.975 3.969 1.00 0.00 C ATOM 823 O LYS A 49 53.422 -2.720 3.463 1.00 0.00 O ATOM 824 CB LYS A 49 52.824 -2.080 6.460 1.00 0.00 C ATOM 825 CG LYS A 49 54.140 -2.831 6.675 1.00 0.00 C ATOM 826 CD LYS A 49 54.188 -4.062 5.761 1.00 0.00 C ATOM 827 CE LYS A 49 54.754 -5.258 6.532 1.00 0.00 C ATOM 828 NZ LYS A 49 53.639 -6.005 7.181 1.00 0.00 N ATOM 0 H LYS A 49 51.502 0.023 6.265 1.00 0.00 H new ATOM 0 HA LYS A 49 53.966 -0.803 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 49 52.584 -1.486 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 49 52.008 -2.789 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 49 54.984 -2.175 6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 49 54.230 -3.136 7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 49 53.188 -4.294 5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 49 54.807 -3.854 4.888 1.00 0.00 H new ATOM 0 HE2 LYS A 49 55.300 -5.915 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 49 55.463 -4.916 7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 54.024 -6.817 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 53.136 -5.376 7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 52.978 -6.344 6.453 1.00 0.00 H new ATOM 842 N ASP A 50 51.402 -1.834 3.459 1.00 0.00 N ATOM 843 CA ASP A 50 51.007 -2.592 2.237 1.00 0.00 C ATOM 844 C ASP A 50 51.693 -2.014 0.993 1.00 0.00 C ATOM 845 O ASP A 50 52.076 -2.754 0.104 1.00 0.00 O ATOM 846 CB ASP A 50 49.490 -2.517 2.062 1.00 0.00 C ATOM 847 CG ASP A 50 49.036 -3.592 1.074 1.00 0.00 C ATOM 848 OD1 ASP A 50 49.469 -3.542 -0.065 1.00 0.00 O ATOM 849 OD2 ASP A 50 48.263 -4.447 1.474 1.00 0.00 O ATOM 0 H ASP A 50 50.679 -1.224 3.840 1.00 0.00 H new ATOM 0 HA ASP A 50 51.318 -3.630 2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 50 48.995 -2.659 3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 50 49.204 -1.530 1.699 1.00 0.00 H new ATOM 854 N VAL A 51 51.861 -0.712 0.912 1.00 0.00 N ATOM 855 CA VAL A 51 52.532 -0.133 -0.291 1.00 0.00 C ATOM 856 C VAL A 51 54.051 -0.261 -0.126 1.00 0.00 C ATOM 857 O VAL A 51 54.787 -0.297 -1.095 1.00 0.00 O ATOM 858 CB VAL A 51 52.128 1.343 -0.459 1.00 0.00 C ATOM 859 CG1 VAL A 51 52.573 2.158 0.763 1.00 0.00 C ATOM 860 CG2 VAL A 51 52.776 1.912 -1.730 1.00 0.00 C ATOM 0 H VAL A 51 51.566 -0.037 1.618 1.00 0.00 H new ATOM 0 HA VAL A 51 52.222 -0.675 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 51 51.043 1.407 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 51 52.281 3.200 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 51 52.098 1.759 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 51 53.656 2.095 0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 51 52.489 2.957 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 51 53.861 1.840 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 51 52.439 1.343 -2.596 1.00 0.00 H new ATOM 870 N VAL A 52 54.520 -0.334 1.096 1.00 0.00 N ATOM 871 CA VAL A 52 55.978 -0.465 1.334 1.00 0.00 C ATOM 872 C VAL A 52 56.413 -1.906 1.007 1.00 0.00 C ATOM 873 O VAL A 52 57.535 -2.147 0.600 1.00 0.00 O ATOM 874 CB VAL A 52 56.278 -0.063 2.807 1.00 0.00 C ATOM 875 CG1 VAL A 52 56.352 -1.278 3.750 1.00 0.00 C ATOM 876 CG2 VAL A 52 57.602 0.702 2.856 1.00 0.00 C ATOM 0 H VAL A 52 53.946 -0.308 1.939 1.00 0.00 H new ATOM 0 HA VAL A 52 56.551 0.199 0.687 1.00 0.00 H new ATOM 0 HB VAL A 52 55.455 0.562 3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 52 56.564 -0.939 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 52 55.400 -1.808 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 52 57.145 -1.948 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 52 57.819 0.987 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 52 58.403 0.067 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 52 57.528 1.598 2.239 1.00 0.00 H new ATOM 886 N ARG A 53 55.527 -2.857 1.184 1.00 0.00 N ATOM 887 CA ARG A 53 55.881 -4.276 0.888 1.00 0.00 C ATOM 888 C ARG A 53 55.768 -4.538 -0.617 1.00 0.00 C ATOM 889 O ARG A 53 56.591 -5.222 -1.196 1.00 0.00 O ATOM 890 CB ARG A 53 54.935 -5.210 1.644 1.00 0.00 C ATOM 891 CG ARG A 53 55.680 -6.494 2.015 1.00 0.00 C ATOM 892 CD ARG A 53 55.510 -7.523 0.898 1.00 0.00 C ATOM 893 NE ARG A 53 56.645 -8.488 0.934 1.00 0.00 N ATOM 894 CZ ARG A 53 56.454 -9.709 1.356 1.00 0.00 C ATOM 895 NH1 ARG A 53 55.399 -10.374 0.971 1.00 0.00 N ATOM 896 NH2 ARG A 53 57.318 -10.266 2.159 1.00 0.00 N ATOM 0 H ARG A 53 54.576 -2.709 1.520 1.00 0.00 H new ATOM 0 HA ARG A 53 56.906 -4.463 1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 53 54.563 -4.719 2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 53 54.068 -5.445 1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 53 56.738 -6.281 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 53 55.294 -6.893 2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 53 54.565 -8.052 1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 53 55.475 -7.023 -0.070 1.00 0.00 H new ATOM 0 HE ARG A 53 57.573 -8.194 0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 53 54.724 -9.940 0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 53 55.249 -11.328 1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 53 58.144 -9.748 2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 53 57.168 -11.220 2.488 1.00 0.00 H new ATOM 910 N VAL A 54 54.759 -3.998 -1.255 1.00 0.00 N ATOM 911 CA VAL A 54 54.596 -4.215 -2.726 1.00 0.00 C ATOM 912 C VAL A 54 55.797 -3.628 -3.460 1.00 0.00 C ATOM 913 O VAL A 54 56.351 -4.258 -4.343 1.00 0.00 O ATOM 914 CB VAL A 54 53.305 -3.544 -3.206 1.00 0.00 C ATOM 915 CG1 VAL A 54 53.086 -3.845 -4.691 1.00 0.00 C ATOM 916 CG2 VAL A 54 52.122 -4.085 -2.398 1.00 0.00 C ATOM 0 H VAL A 54 54.042 -3.417 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 54 54.537 -5.283 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 54 53.385 -2.466 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 52.167 -3.366 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 54 53.928 -3.461 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 54 53.008 -4.922 -4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 54 51.202 -3.609 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 54 52.047 -5.163 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 54 52.274 -3.868 -1.341 1.00 0.00 H new ATOM 926 N TRP A 55 56.222 -2.441 -3.097 1.00 0.00 N ATOM 927 CA TRP A 55 57.408 -1.852 -3.777 1.00 0.00 C ATOM 928 C TRP A 55 58.634 -2.695 -3.402 1.00 0.00 C ATOM 929 O TRP A 55 59.511 -2.899 -4.220 1.00 0.00 O ATOM 930 CB TRP A 55 57.605 -0.380 -3.354 1.00 0.00 C ATOM 931 CG TRP A 55 58.972 0.100 -3.771 1.00 0.00 C ATOM 932 CD1 TRP A 55 59.325 0.522 -5.014 1.00 0.00 C ATOM 933 CD2 TRP A 55 60.181 0.170 -2.964 1.00 0.00 C ATOM 934 NE1 TRP A 55 60.669 0.852 -5.002 1.00 0.00 N ATOM 935 CE2 TRP A 55 61.233 0.655 -3.769 1.00 0.00 C ATOM 936 CE3 TRP A 55 60.464 -0.131 -1.622 1.00 0.00 C ATOM 937 CZ2 TRP A 55 62.514 0.833 -3.270 1.00 0.00 C ATOM 938 CZ3 TRP A 55 61.761 0.045 -1.116 1.00 0.00 C ATOM 939 CH2 TRP A 55 62.784 0.525 -1.939 1.00 0.00 C ATOM 0 H TRP A 55 55.802 -1.864 -2.368 1.00 0.00 H new ATOM 0 HA TRP A 55 57.264 -1.861 -4.857 1.00 0.00 H new ATOM 0 HB2 TRP A 55 56.837 0.244 -3.811 1.00 0.00 H new ATOM 0 HB3 TRP A 55 57.492 -0.285 -2.274 1.00 0.00 H new ATOM 0 HD1 TRP A 55 58.667 0.589 -5.868 1.00 0.00 H new ATOM 0 HE1 TRP A 55 61.179 1.200 -5.814 1.00 0.00 H new ATOM 0 HE3 TRP A 55 59.680 -0.499 -0.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 63.299 1.209 -3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 61.970 -0.192 -0.083 1.00 0.00 H new ATOM 0 HH2 TRP A 55 63.780 0.657 -1.544 1.00 0.00 H new ATOM 950 N PHE A 56 58.711 -3.179 -2.179 1.00 0.00 N ATOM 951 CA PHE A 56 59.901 -3.995 -1.804 1.00 0.00 C ATOM 952 C PHE A 56 59.715 -5.454 -2.212 1.00 0.00 C ATOM 953 O PHE A 56 60.602 -6.264 -2.013 1.00 0.00 O ATOM 954 CB PHE A 56 60.216 -3.888 -0.302 1.00 0.00 C ATOM 955 CG PHE A 56 61.726 -3.818 -0.121 1.00 0.00 C ATOM 956 CD1 PHE A 56 62.472 -2.908 -0.881 1.00 0.00 C ATOM 957 CD2 PHE A 56 62.380 -4.664 0.782 1.00 0.00 C ATOM 958 CE1 PHE A 56 63.855 -2.840 -0.749 1.00 0.00 C ATOM 959 CE2 PHE A 56 63.775 -4.593 0.917 1.00 0.00 C ATOM 960 CZ PHE A 56 64.508 -3.680 0.143 1.00 0.00 C ATOM 0 H PHE A 56 58.016 -3.045 -1.445 1.00 0.00 H new ATOM 0 HA PHE A 56 60.754 -3.591 -2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 56 59.744 -3.001 0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 56 59.812 -4.749 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 56 61.968 -2.253 -1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 56 61.813 -5.369 1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 56 64.420 -2.134 -1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 56 64.284 -5.240 1.616 1.00 0.00 H new ATOM 0 HZ PHE A 56 65.582 -3.631 0.242 1.00 0.00 H new ATOM 970 N CYS A 57 58.609 -5.794 -2.829 1.00 0.00 N ATOM 971 CA CYS A 57 58.437 -7.192 -3.301 1.00 0.00 C ATOM 972 C CYS A 57 59.255 -7.303 -4.582 1.00 0.00 C ATOM 973 O CYS A 57 59.947 -8.275 -4.818 1.00 0.00 O ATOM 974 CB CYS A 57 56.954 -7.482 -3.586 1.00 0.00 C ATOM 975 SG CYS A 57 56.463 -9.036 -2.792 1.00 0.00 S ATOM 0 H CYS A 57 57.828 -5.167 -3.022 1.00 0.00 H new ATOM 0 HA CYS A 57 58.767 -7.911 -2.551 1.00 0.00 H new ATOM 0 HB2 CYS A 57 56.337 -6.664 -3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 57 56.787 -7.545 -4.661 1.00 0.00 H new ATOM 0 HG CYS A 57 55.208 -9.271 -3.037 1.00 0.00 H new ATOM 981 N ASN A 58 59.200 -6.275 -5.391 1.00 0.00 N ATOM 982 CA ASN A 58 59.995 -6.261 -6.648 1.00 0.00 C ATOM 983 C ASN A 58 61.427 -5.821 -6.313 1.00 0.00 C ATOM 984 O ASN A 58 62.380 -6.303 -6.895 1.00 0.00 O ATOM 985 CB ASN A 58 59.372 -5.282 -7.644 1.00 0.00 C ATOM 986 CG ASN A 58 59.585 -5.798 -9.069 1.00 0.00 C ATOM 987 OD1 ASN A 58 60.503 -6.552 -9.325 1.00 0.00 O ATOM 988 ND2 ASN A 58 58.768 -5.422 -10.014 1.00 0.00 N ATOM 0 H ASN A 58 58.634 -5.442 -5.230 1.00 0.00 H new ATOM 0 HA ASN A 58 60.005 -7.255 -7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 58 58.307 -5.170 -7.442 1.00 0.00 H new ATOM 0 HB3 ASN A 58 59.823 -4.296 -7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 58 58.900 -5.761 -10.967 1.00 0.00 H new ATOM 0 HD22 ASN A 58 57.997 -4.789 -9.800 1.00 0.00 H new ATOM 995 N ARG A 59 61.587 -4.923 -5.360 1.00 0.00 N ATOM 996 CA ARG A 59 62.965 -4.478 -4.975 1.00 0.00 C ATOM 997 C ARG A 59 63.690 -5.660 -4.320 1.00 0.00 C ATOM 998 O ARG A 59 64.903 -5.741 -4.346 1.00 0.00 O ATOM 999 CB ARG A 59 62.913 -3.283 -3.990 1.00 0.00 C ATOM 1000 CG ARG A 59 63.621 -2.062 -4.590 1.00 0.00 C ATOM 1001 CD ARG A 59 65.080 -2.392 -4.938 1.00 0.00 C ATOM 1002 NE ARG A 59 65.456 -1.705 -6.208 1.00 0.00 N ATOM 1003 CZ ARG A 59 65.156 -2.246 -7.359 1.00 0.00 C ATOM 1004 NH1 ARG A 59 63.984 -2.042 -7.894 1.00 0.00 N ATOM 1005 NH2 ARG A 59 66.033 -2.986 -7.980 1.00 0.00 N ATOM 0 H ARG A 59 60.827 -4.485 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 59 63.497 -4.150 -5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 59 61.876 -3.035 -3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 59 63.387 -3.559 -3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 59 63.094 -1.735 -5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 59 63.590 -1.234 -3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 59 65.739 -2.073 -4.130 1.00 0.00 H new ATOM 0 HD3 ARG A 59 65.205 -3.470 -5.044 1.00 0.00 H new ATOM 0 HE ARG A 59 65.948 -0.812 -6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 59 63.299 -1.459 -7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 59 63.753 -2.466 -8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 59 66.952 -3.142 -7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 59 65.799 -3.408 -8.878 1.00 0.00 H new ATOM 1019 N ARG A 60 62.952 -6.583 -3.743 1.00 0.00 N ATOM 1020 CA ARG A 60 63.596 -7.764 -3.105 1.00 0.00 C ATOM 1021 C ARG A 60 64.065 -8.714 -4.205 1.00 0.00 C ATOM 1022 O ARG A 60 65.206 -9.136 -4.230 1.00 0.00 O ATOM 1023 CB ARG A 60 62.579 -8.476 -2.210 1.00 0.00 C ATOM 1024 CG ARG A 60 62.790 -8.050 -0.754 1.00 0.00 C ATOM 1025 CD ARG A 60 61.919 -8.911 0.165 1.00 0.00 C ATOM 1026 NE ARG A 60 62.687 -9.258 1.394 1.00 0.00 N ATOM 1027 CZ ARG A 60 62.444 -10.375 2.023 1.00 0.00 C ATOM 1028 NH1 ARG A 60 61.213 -10.753 2.231 1.00 0.00 N ATOM 1029 NH2 ARG A 60 63.432 -11.114 2.447 1.00 0.00 N ATOM 0 H ARG A 60 61.934 -6.564 -3.690 1.00 0.00 H new ATOM 0 HA ARG A 60 64.445 -7.448 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 60 61.565 -8.231 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 60 62.690 -9.556 -2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 60 63.840 -8.157 -0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 60 62.535 -6.997 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 60 61.009 -8.373 0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 60 61.612 -9.819 -0.353 1.00 0.00 H new ATOM 0 HE ARG A 60 63.403 -8.622 1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 60 60.440 -10.175 1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 60 61.024 -11.626 2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 60 64.395 -10.819 2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 60 63.241 -11.987 2.939 1.00 0.00 H new ATOM 1043 N GLN A 61 63.190 -9.041 -5.122 1.00 0.00 N ATOM 1044 CA GLN A 61 63.572 -9.951 -6.236 1.00 0.00 C ATOM 1045 C GLN A 61 63.916 -9.108 -7.462 1.00 0.00 C ATOM 1046 O GLN A 61 63.357 -9.274 -8.531 1.00 0.00 O ATOM 1047 CB GLN A 61 62.408 -10.894 -6.555 1.00 0.00 C ATOM 1048 CG GLN A 61 62.857 -11.929 -7.587 1.00 0.00 C ATOM 1049 CD GLN A 61 63.494 -13.123 -6.871 1.00 0.00 C ATOM 1050 OE1 GLN A 61 64.696 -13.173 -6.701 1.00 0.00 O ATOM 1051 NE2 GLN A 61 62.733 -14.092 -6.442 1.00 0.00 N ATOM 0 H GLN A 61 62.224 -8.714 -5.144 1.00 0.00 H new ATOM 0 HA GLN A 61 64.437 -10.549 -5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 61 62.071 -11.393 -5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 61 61.561 -10.326 -6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 61 62.004 -12.260 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 61 63.572 -11.482 -8.278 1.00 0.00 H new ATOM 0 HE21 GLN A 61 61.724 -14.050 -6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 61 63.147 -14.892 -5.964 1.00 0.00 H new ATOM 1060 N LYS A 62 64.840 -8.201 -7.302 1.00 0.00 N ATOM 1061 CA LYS A 62 65.249 -7.326 -8.433 1.00 0.00 C ATOM 1062 C LYS A 62 66.289 -8.049 -9.296 1.00 0.00 C ATOM 1063 O LYS A 62 66.432 -7.767 -10.471 1.00 0.00 O ATOM 1064 CB LYS A 62 65.849 -6.035 -7.872 1.00 0.00 C ATOM 1065 CG LYS A 62 67.023 -6.363 -6.935 1.00 0.00 C ATOM 1066 CD LYS A 62 68.323 -5.793 -7.510 1.00 0.00 C ATOM 1067 CE LYS A 62 69.356 -5.650 -6.392 1.00 0.00 C ATOM 1068 NZ LYS A 62 70.334 -4.584 -6.749 1.00 0.00 N ATOM 0 H LYS A 62 65.333 -8.028 -6.426 1.00 0.00 H new ATOM 0 HA LYS A 62 64.381 -7.090 -9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 62 66.192 -5.399 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 62 65.086 -5.475 -7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 62 66.838 -5.944 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 62 67.112 -7.442 -6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 62 68.706 -6.449 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 62 68.135 -4.824 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 62 68.859 -5.403 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 62 69.874 -6.597 -6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 71.036 -4.488 -5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 70.816 -4.838 -7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 69.833 -3.681 -6.874 1.00 0.00 H new ATOM 1082 N GLY A 63 67.014 -8.977 -8.720 1.00 0.00 N ATOM 1083 CA GLY A 63 68.045 -9.720 -9.501 1.00 0.00 C ATOM 1084 C GLY A 63 69.301 -9.893 -8.646 1.00 0.00 C ATOM 1085 O GLY A 63 70.390 -9.523 -9.045 1.00 0.00 O ATOM 0 H GLY A 63 66.934 -9.251 -7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 63 67.658 -10.694 -9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 63 68.286 -9.178 -10.415 1.00 0.00 H new ATOM 1089 N LYS A 64 69.154 -10.451 -7.471 1.00 0.00 N ATOM 1090 CA LYS A 64 70.331 -10.654 -6.577 1.00 0.00 C ATOM 1091 C LYS A 64 70.774 -12.119 -6.657 1.00 0.00 C ATOM 1092 O LYS A 64 71.189 -12.707 -5.676 1.00 0.00 O ATOM 1093 CB LYS A 64 69.937 -10.301 -5.133 1.00 0.00 C ATOM 1094 CG LYS A 64 70.612 -8.990 -4.716 1.00 0.00 C ATOM 1095 CD LYS A 64 69.744 -8.271 -3.679 1.00 0.00 C ATOM 1096 CE LYS A 64 70.225 -8.627 -2.270 1.00 0.00 C ATOM 1097 NZ LYS A 64 69.970 -10.072 -2.008 1.00 0.00 N ATOM 0 H LYS A 64 68.264 -10.776 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 64 71.154 -10.011 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 64 68.854 -10.204 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 64 70.234 -11.104 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 64 71.599 -9.194 -4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 64 70.759 -8.352 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 64 69.797 -7.193 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 64 68.700 -8.559 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 64 71.289 -8.411 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 64 69.706 -8.016 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 69.920 -10.235 -0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 69.070 -10.351 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 70.742 -10.640 -2.412 1.00 0.00 H new ATOM 1111 N ARG A 65 70.687 -12.710 -7.823 1.00 0.00 N ATOM 1112 CA ARG A 65 71.098 -14.138 -7.978 1.00 0.00 C ATOM 1113 C ARG A 65 71.436 -14.420 -9.445 1.00 0.00 C ATOM 1114 O ARG A 65 70.649 -14.994 -10.175 1.00 0.00 O ATOM 1115 CB ARG A 65 69.957 -15.062 -7.526 1.00 0.00 C ATOM 1116 CG ARG A 65 68.632 -14.611 -8.150 1.00 0.00 C ATOM 1117 CD ARG A 65 67.474 -15.355 -7.483 1.00 0.00 C ATOM 1118 NE ARG A 65 67.142 -16.570 -8.279 1.00 0.00 N ATOM 1119 CZ ARG A 65 66.182 -17.363 -7.889 1.00 0.00 C ATOM 1120 NH1 ARG A 65 66.181 -17.836 -6.672 1.00 0.00 N ATOM 1121 NH2 ARG A 65 65.223 -17.681 -8.716 1.00 0.00 N ATOM 0 H ARG A 65 70.348 -12.263 -8.675 1.00 0.00 H new ATOM 0 HA ARG A 65 71.977 -14.326 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 65 70.174 -16.089 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 65 69.878 -15.050 -6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 65 68.507 -13.535 -8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 65 68.636 -14.810 -9.222 1.00 0.00 H new ATOM 0 HD2 ARG A 65 67.746 -15.636 -6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 65 66.602 -14.704 -7.411 1.00 0.00 H new ATOM 0 HE ARG A 65 67.665 -16.782 -9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 65 66.930 -17.586 -6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 65 65.431 -18.456 -6.366 1.00 0.00 H new ATOM 0 HH21 ARG A 65 65.225 -17.310 -9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 65 64.472 -18.301 -8.412 1.00 0.00 H new ATOM 1135 N SER A 66 72.606 -14.022 -9.877 1.00 0.00 N ATOM 1136 CA SER A 66 73.011 -14.265 -11.292 1.00 0.00 C ATOM 1137 C SER A 66 74.488 -14.662 -11.340 1.00 0.00 C ATOM 1138 O SER A 66 75.274 -14.259 -10.504 1.00 0.00 O ATOM 1139 CB SER A 66 72.803 -12.991 -12.112 1.00 0.00 C ATOM 1140 OG SER A 66 73.439 -13.138 -13.375 1.00 0.00 O ATOM 0 H SER A 66 73.300 -13.538 -9.307 1.00 0.00 H new ATOM 0 HA SER A 66 72.403 -15.068 -11.708 1.00 0.00 H new ATOM 0 HB2 SER A 66 71.738 -12.802 -12.248 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.215 -12.132 -11.582 1.00 0.00 H new ATOM 0 HG SER A 66 73.307 -12.324 -13.905 1.00 0.00 H new ATOM 1146 N SER A 67 74.868 -15.448 -12.316 1.00 0.00 N ATOM 1147 CA SER A 67 76.294 -15.875 -12.428 1.00 0.00 C ATOM 1148 C SER A 67 76.897 -15.303 -13.712 1.00 0.00 C ATOM 1149 O SER A 67 76.226 -14.514 -14.357 1.00 0.00 O ATOM 1150 CB SER A 67 76.371 -17.401 -12.466 1.00 0.00 C ATOM 1151 OG SER A 67 75.312 -17.907 -13.268 1.00 0.00 O ATOM 1152 OXT SER A 67 78.019 -15.664 -14.028 1.00 0.00 O ATOM 0 H SER A 67 74.250 -15.812 -13.041 1.00 0.00 H new ATOM 0 HA SER A 67 76.851 -15.506 -11.567 1.00 0.00 H new ATOM 0 HB2 SER A 67 77.332 -17.718 -12.871 1.00 0.00 H new ATOM 0 HB3 SER A 67 76.302 -17.805 -11.456 1.00 0.00 H new ATOM 0 HG SER A 67 75.361 -18.885 -13.295 1.00 0.00 H new TER 1158 SER A 67