USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 574 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 22 GLN : amide:sc= -0.38 K(o=0.019,f=-3.6!) USER MOD Set 1.2: A 25 GLN : amide:sc= 0.399 K(o=0.019,f=-2.7) USER MOD Set 2.1: A 11 CYS SG : rot -149:sc= -1.31! USER MOD Set 2.2: A 29 SER OG : rot 52:sc= 0.73 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.06 (180deg=0.783) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= 1.21 (180deg=0.292) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -40:sc= 0.989 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -150:sc= 1.26 USER MOD Single : A 21 HIS : no HD1:sc= 1.17 K(o=1.2,f=-5!) USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= 0.343 (180deg=0.164) USER MOD Single : A 31 GLN : amide:sc= 0.387 K(o=0.39,f=-4!) USER MOD Single : A 33 LYS NZ :NH3+ -126:sc= -0.104 (180deg=-0.295) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -168:sc= 0 (180deg=-0.247) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= -2.06! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 64 HIS : no HD1:sc= -1.76 K(o=-1.8,f=0.22) USER MOD Single : A 65 HIS : no HD1:sc= -0.249 X(o=-0.25,f=0.037) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.453 7.614 -3.633 1.00 0.00 N ATOM 2 CA MET A 1 10.660 7.767 -4.874 1.00 0.00 C ATOM 3 C MET A 1 10.046 9.159 -4.946 1.00 0.00 C ATOM 4 O MET A 1 9.762 9.780 -3.921 1.00 0.00 O ATOM 5 CB MET A 1 9.559 6.705 -4.951 1.00 0.00 C ATOM 6 CG MET A 1 10.078 5.288 -5.168 1.00 0.00 C ATOM 7 SD MET A 1 11.131 4.703 -3.819 1.00 0.00 S ATOM 8 CE MET A 1 11.534 3.055 -4.399 1.00 0.00 C ATOM 0 H1 MET A 1 11.607 6.603 -3.442 1.00 0.00 H new ATOM 0 H2 MET A 1 12.371 8.089 -3.747 1.00 0.00 H new ATOM 0 H3 MET A 1 10.938 8.042 -2.837 1.00 0.00 H new ATOM 0 HA MET A 1 11.331 7.633 -5.722 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.978 6.731 -4.029 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.879 6.960 -5.763 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.231 4.611 -5.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.640 5.252 -6.101 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.181 2.562 -3.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.617 2.477 -4.520 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.049 3.122 -5.357 1.00 0.00 H new ATOM 20 N GLU A 2 9.847 9.639 -6.163 1.00 0.00 N ATOM 21 CA GLU A 2 9.304 10.968 -6.400 1.00 0.00 C ATOM 22 C GLU A 2 7.871 10.890 -6.931 1.00 0.00 C ATOM 23 O GLU A 2 7.365 11.826 -7.555 1.00 0.00 O ATOM 24 CB GLU A 2 10.204 11.742 -7.381 1.00 0.00 C ATOM 25 CG GLU A 2 10.468 11.031 -8.709 1.00 0.00 C ATOM 26 CD GLU A 2 11.426 9.854 -8.585 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.652 10.058 -8.725 1.00 0.00 O ATOM 28 OE2 GLU A 2 10.953 8.720 -8.349 1.00 0.00 O ATOM 0 H GLU A 2 10.057 9.119 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 2 9.280 11.502 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.744 12.708 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.159 11.941 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.521 10.678 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.875 11.748 -9.422 1.00 0.00 H new ATOM 35 N LYS A 3 7.212 9.775 -6.655 1.00 0.00 N ATOM 36 CA LYS A 3 5.836 9.569 -7.084 1.00 0.00 C ATOM 37 C LYS A 3 4.864 10.185 -6.083 1.00 0.00 C ATOM 38 O LYS A 3 4.798 9.765 -4.928 1.00 0.00 O ATOM 39 CB LYS A 3 5.542 8.073 -7.262 1.00 0.00 C ATOM 40 CG LYS A 3 5.998 7.209 -6.092 1.00 0.00 C ATOM 41 CD LYS A 3 5.395 5.814 -6.154 1.00 0.00 C ATOM 42 CE LYS A 3 5.765 5.087 -7.437 1.00 0.00 C ATOM 43 NZ LYS A 3 5.057 3.786 -7.557 1.00 0.00 N ATOM 0 H LYS A 3 7.610 8.994 -6.133 1.00 0.00 H new ATOM 0 HA LYS A 3 5.702 10.064 -8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.470 7.938 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.030 7.723 -8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.086 7.136 -6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.714 7.687 -5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.737 5.233 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.310 5.885 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.520 5.715 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.842 4.919 -7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.055 3.482 -8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.542 3.072 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.077 3.892 -7.226 1.00 0.00 H new ATOM 57 N LYS A 4 4.131 11.197 -6.526 1.00 0.00 N ATOM 58 CA LYS A 4 3.142 11.852 -5.679 1.00 0.00 C ATOM 59 C LYS A 4 2.085 12.555 -6.535 1.00 0.00 C ATOM 60 O LYS A 4 1.620 13.646 -6.207 1.00 0.00 O ATOM 61 CB LYS A 4 3.832 12.850 -4.743 1.00 0.00 C ATOM 62 CG LYS A 4 2.959 13.309 -3.585 1.00 0.00 C ATOM 63 CD LYS A 4 3.705 14.268 -2.681 1.00 0.00 C ATOM 64 CE LYS A 4 2.810 14.821 -1.585 1.00 0.00 C ATOM 65 NZ LYS A 4 3.574 15.642 -0.608 1.00 0.00 N ATOM 0 H LYS A 4 4.202 11.583 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 4 2.641 11.096 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.738 12.394 -4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.142 13.721 -5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.063 13.793 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.630 12.444 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.556 13.756 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.104 15.091 -3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.022 15.427 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.322 13.997 -1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.928 16.001 0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.310 15.057 -0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.019 16.443 -1.100 1.00 0.00 H new ATOM 79 N PHE A 5 1.701 11.918 -7.634 1.00 0.00 N ATOM 80 CA PHE A 5 0.676 12.472 -8.514 1.00 0.00 C ATOM 81 C PHE A 5 0.143 11.409 -9.468 1.00 0.00 C ATOM 82 O PHE A 5 -1.036 11.062 -9.434 1.00 0.00 O ATOM 83 CB PHE A 5 1.226 13.656 -9.314 1.00 0.00 C ATOM 84 CG PHE A 5 0.203 14.279 -10.218 1.00 0.00 C ATOM 85 CD1 PHE A 5 -0.723 15.178 -9.717 1.00 0.00 C ATOM 86 CD2 PHE A 5 0.160 13.955 -11.564 1.00 0.00 C ATOM 87 CE1 PHE A 5 -1.676 15.741 -10.542 1.00 0.00 C ATOM 88 CE2 PHE A 5 -0.792 14.513 -12.393 1.00 0.00 C ATOM 89 CZ PHE A 5 -1.710 15.408 -11.880 1.00 0.00 C ATOM 0 H PHE A 5 2.081 11.021 -7.938 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.143 12.821 -7.886 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.600 14.411 -8.623 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.074 13.321 -9.911 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.700 15.442 -8.670 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.879 13.258 -11.969 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.394 16.441 -10.140 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.819 14.250 -13.440 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.455 15.847 -12.527 1.00 0.00 H new ATOM 99 N LEU A 6 1.022 10.898 -10.320 1.00 0.00 N ATOM 100 CA LEU A 6 0.646 9.882 -11.299 1.00 0.00 C ATOM 101 C LEU A 6 0.641 8.493 -10.674 1.00 0.00 C ATOM 102 O LEU A 6 0.456 7.490 -11.361 1.00 0.00 O ATOM 103 CB LEU A 6 1.583 9.944 -12.516 1.00 0.00 C ATOM 104 CG LEU A 6 3.085 9.961 -12.215 1.00 0.00 C ATOM 105 CD1 LEU A 6 3.611 8.561 -11.926 1.00 0.00 C ATOM 106 CD2 LEU A 6 3.847 10.592 -13.370 1.00 0.00 C ATOM 0 H LEU A 6 2.004 11.171 -10.354 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.369 10.089 -11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.372 9.086 -13.155 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.339 10.837 -13.091 1.00 0.00 H new ATOM 0 HG LEU A 6 3.242 10.563 -11.320 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.680 8.610 -11.717 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.090 8.148 -11.062 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.440 7.922 -12.792 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.913 10.598 -13.143 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.673 10.016 -14.279 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.502 11.615 -13.517 1.00 0.00 H new ATOM 118 N ASP A 7 0.846 8.446 -9.367 1.00 0.00 N ATOM 119 CA ASP A 7 0.869 7.188 -8.646 1.00 0.00 C ATOM 120 C ASP A 7 0.376 7.408 -7.223 1.00 0.00 C ATOM 121 O ASP A 7 1.168 7.528 -6.290 1.00 0.00 O ATOM 122 CB ASP A 7 2.281 6.605 -8.634 1.00 0.00 C ATOM 123 CG ASP A 7 2.283 5.098 -8.475 1.00 0.00 C ATOM 124 OD1 ASP A 7 2.055 4.396 -9.483 1.00 0.00 O ATOM 125 OD2 ASP A 7 2.558 4.604 -7.364 1.00 0.00 O ATOM 0 H ASP A 7 0.999 9.269 -8.784 1.00 0.00 H new ATOM 0 HA ASP A 7 0.211 6.478 -9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.788 6.870 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.850 7.054 -7.820 1.00 0.00 H new ATOM 130 N ILE A 8 -0.937 7.534 -7.086 1.00 0.00 N ATOM 131 CA ILE A 8 -1.575 7.766 -5.789 1.00 0.00 C ATOM 132 C ILE A 8 -2.853 6.941 -5.686 1.00 0.00 C ATOM 133 O ILE A 8 -3.841 7.371 -5.092 1.00 0.00 O ATOM 134 CB ILE A 8 -1.922 9.262 -5.575 1.00 0.00 C ATOM 135 CG1 ILE A 8 -2.704 9.815 -6.774 1.00 0.00 C ATOM 136 CG2 ILE A 8 -0.658 10.080 -5.333 1.00 0.00 C ATOM 137 CD1 ILE A 8 -3.131 11.258 -6.611 1.00 0.00 C ATOM 0 H ILE A 8 -1.592 7.479 -7.866 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.865 7.465 -5.018 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.554 9.341 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.089 9.727 -7.669 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.589 9.200 -6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.925 11.127 -5.185 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.148 9.707 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.003 9.992 -6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.678 11.578 -7.498 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.773 11.351 -5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.249 11.886 -6.482 1.00 0.00 H new ATOM 149 N LEU A 9 -2.803 5.749 -6.263 1.00 0.00 N ATOM 150 CA LEU A 9 -3.960 4.860 -6.337 1.00 0.00 C ATOM 151 C LEU A 9 -4.497 4.517 -4.949 1.00 0.00 C ATOM 152 O LEU A 9 -3.732 4.239 -4.022 1.00 0.00 O ATOM 153 CB LEU A 9 -3.584 3.582 -7.088 1.00 0.00 C ATOM 154 CG LEU A 9 -3.096 3.800 -8.524 1.00 0.00 C ATOM 155 CD1 LEU A 9 -2.600 2.497 -9.132 1.00 0.00 C ATOM 156 CD2 LEU A 9 -4.209 4.391 -9.374 1.00 0.00 C ATOM 0 H LEU A 9 -1.961 5.368 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.751 5.381 -6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.804 3.065 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.451 2.922 -7.110 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.262 4.502 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.259 2.678 -10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.774 2.109 -8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.411 1.769 -9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.849 4.541 -10.392 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.059 3.708 -9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.518 5.348 -8.954 1.00 0.00 H new ATOM 168 N VAL A 10 -5.818 4.535 -4.819 1.00 0.00 N ATOM 169 CA VAL A 10 -6.469 4.260 -3.548 1.00 0.00 C ATOM 170 C VAL A 10 -7.423 3.076 -3.678 1.00 0.00 C ATOM 171 O VAL A 10 -7.766 2.665 -4.787 1.00 0.00 O ATOM 172 CB VAL A 10 -7.253 5.489 -3.030 1.00 0.00 C ATOM 173 CG1 VAL A 10 -6.313 6.657 -2.771 1.00 0.00 C ATOM 174 CG2 VAL A 10 -8.345 5.894 -4.011 1.00 0.00 C ATOM 0 H VAL A 10 -6.461 4.739 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.683 4.022 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.727 5.211 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.885 7.511 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.574 6.370 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.806 6.928 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.880 6.760 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.896 6.146 -4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.041 5.066 -4.142 1.00 0.00 H new ATOM 184 N CYS A 11 -7.845 2.530 -2.544 1.00 0.00 N ATOM 185 CA CYS A 11 -8.786 1.418 -2.537 1.00 0.00 C ATOM 186 C CYS A 11 -10.220 1.932 -2.527 1.00 0.00 C ATOM 187 O CYS A 11 -10.518 2.932 -1.878 1.00 0.00 O ATOM 188 CB CYS A 11 -8.555 0.537 -1.312 1.00 0.00 C ATOM 189 SG CYS A 11 -6.885 -0.136 -1.198 1.00 0.00 S ATOM 0 H CYS A 11 -7.550 2.839 -1.618 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.624 0.830 -3.440 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.764 1.119 -0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.268 -0.288 -1.330 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.922 -1.292 -0.604 1.00 0.00 H new ATOM 195 N PRO A 12 -11.136 1.241 -3.220 1.00 0.00 N ATOM 196 CA PRO A 12 -12.546 1.638 -3.284 1.00 0.00 C ATOM 197 C PRO A 12 -13.280 1.367 -1.972 1.00 0.00 C ATOM 198 O PRO A 12 -14.452 1.705 -1.823 1.00 0.00 O ATOM 199 CB PRO A 12 -13.128 0.759 -4.403 1.00 0.00 C ATOM 200 CG PRO A 12 -11.956 0.100 -5.057 1.00 0.00 C ATOM 201 CD PRO A 12 -10.875 0.038 -4.020 1.00 0.00 C ATOM 0 HA PRO A 12 -12.654 2.707 -3.467 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.818 0.018 -3.999 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.689 1.359 -5.120 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.217 -0.899 -5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.627 0.667 -5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.939 -0.870 -3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.881 0.055 -4.468 1.00 0.00 H new ATOM 209 N VAL A 13 -12.578 0.751 -1.025 1.00 0.00 N ATOM 210 CA VAL A 13 -13.164 0.391 0.260 1.00 0.00 C ATOM 211 C VAL A 13 -13.368 1.622 1.140 1.00 0.00 C ATOM 212 O VAL A 13 -14.475 1.895 1.594 1.00 0.00 O ATOM 213 CB VAL A 13 -12.281 -0.634 1.008 1.00 0.00 C ATOM 214 CG1 VAL A 13 -12.910 -1.022 2.336 1.00 0.00 C ATOM 215 CG2 VAL A 13 -12.045 -1.869 0.147 1.00 0.00 C ATOM 0 H VAL A 13 -11.597 0.490 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.135 -0.060 0.054 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.317 -0.167 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.271 -1.744 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.022 -0.134 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.889 -1.466 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.421 -2.578 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.001 -2.335 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.543 -1.579 -0.776 1.00 0.00 H new ATOM 225 N THR A 14 -12.296 2.366 1.372 1.00 0.00 N ATOM 226 CA THR A 14 -12.364 3.541 2.231 1.00 0.00 C ATOM 227 C THR A 14 -11.575 4.698 1.618 1.00 0.00 C ATOM 228 O THR A 14 -11.281 5.689 2.287 1.00 0.00 O ATOM 229 CB THR A 14 -11.831 3.221 3.651 1.00 0.00 C ATOM 230 OG1 THR A 14 -11.947 4.369 4.505 1.00 0.00 O ATOM 231 CG2 THR A 14 -10.377 2.763 3.606 1.00 0.00 C ATOM 0 H THR A 14 -11.373 2.179 0.980 1.00 0.00 H new ATOM 0 HA THR A 14 -13.410 3.836 2.317 1.00 0.00 H new ATOM 0 HB THR A 14 -12.438 2.410 4.054 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.718 5.177 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.032 2.546 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.297 1.864 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.760 3.551 3.174 1.00 0.00 H new ATOM 239 N LYS A 15 -11.247 4.555 0.334 1.00 0.00 N ATOM 240 CA LYS A 15 -10.452 5.544 -0.397 1.00 0.00 C ATOM 241 C LYS A 15 -9.080 5.734 0.242 1.00 0.00 C ATOM 242 O LYS A 15 -8.471 6.802 0.144 1.00 0.00 O ATOM 243 CB LYS A 15 -11.199 6.878 -0.512 1.00 0.00 C ATOM 244 CG LYS A 15 -12.355 6.831 -1.501 1.00 0.00 C ATOM 245 CD LYS A 15 -12.997 8.195 -1.679 1.00 0.00 C ATOM 246 CE LYS A 15 -13.983 8.196 -2.837 1.00 0.00 C ATOM 247 NZ LYS A 15 -14.571 9.541 -3.068 1.00 0.00 N ATOM 0 H LYS A 15 -11.524 3.751 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.296 5.162 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.580 7.160 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.498 7.655 -0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.995 6.470 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.103 6.119 -1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.511 8.480 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.224 8.943 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.478 7.861 -3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.781 7.482 -2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.237 9.496 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.075 9.851 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.813 10.218 -3.287 1.00 0.00 H new ATOM 261 N GLY A 16 -8.587 4.676 0.875 1.00 0.00 N ATOM 262 CA GLY A 16 -7.261 4.707 1.452 1.00 0.00 C ATOM 263 C GLY A 16 -6.203 4.415 0.415 1.00 0.00 C ATOM 264 O GLY A 16 -6.409 3.580 -0.466 1.00 0.00 O ATOM 0 H GLY A 16 -9.086 3.795 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.078 5.686 1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.196 3.975 2.257 1.00 0.00 H new ATOM 268 N ARG A 17 -5.081 5.103 0.523 1.00 0.00 N ATOM 269 CA ARG A 17 -4.003 5.005 -0.439 1.00 0.00 C ATOM 270 C ARG A 17 -3.321 3.635 -0.413 1.00 0.00 C ATOM 271 O ARG A 17 -3.516 2.839 0.515 1.00 0.00 O ATOM 272 CB ARG A 17 -2.992 6.119 -0.166 1.00 0.00 C ATOM 273 CG ARG A 17 -2.667 6.323 1.307 1.00 0.00 C ATOM 274 CD ARG A 17 -1.559 7.347 1.493 1.00 0.00 C ATOM 275 NE ARG A 17 -0.280 6.854 0.989 1.00 0.00 N ATOM 276 CZ ARG A 17 0.788 7.617 0.757 1.00 0.00 C ATOM 277 NH1 ARG A 17 0.735 8.932 0.945 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.912 7.066 0.318 1.00 0.00 N ATOM 0 H ARG A 17 -4.893 5.751 1.288 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.424 5.120 -1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.070 5.896 -0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.379 7.053 -0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.561 6.652 1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.365 5.374 1.750 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.824 8.269 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.464 7.592 2.551 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.198 5.855 0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.129 9.366 1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.558 9.507 0.764 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.958 6.060 0.158 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.730 7.649 0.140 1.00 0.00 H new ATOM 292 N LEU A 18 -2.547 3.367 -1.456 1.00 0.00 N ATOM 293 CA LEU A 18 -1.823 2.115 -1.590 1.00 0.00 C ATOM 294 C LEU A 18 -0.339 2.364 -1.805 1.00 0.00 C ATOM 295 O LEU A 18 0.069 2.922 -2.824 1.00 0.00 O ATOM 296 CB LEU A 18 -2.369 1.312 -2.769 1.00 0.00 C ATOM 297 CG LEU A 18 -3.713 0.632 -2.532 1.00 0.00 C ATOM 298 CD1 LEU A 18 -4.292 0.140 -3.846 1.00 0.00 C ATOM 299 CD2 LEU A 18 -3.543 -0.526 -1.562 1.00 0.00 C ATOM 0 H LEU A 18 -2.405 4.013 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.958 1.552 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.464 1.978 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.638 0.549 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.404 1.355 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.252 -0.343 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.434 0.985 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.606 -0.575 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.507 -1.007 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.843 -1.250 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.157 -0.152 -0.613 1.00 0.00 H new ATOM 311 N GLU A 19 0.461 1.946 -0.847 1.00 0.00 N ATOM 312 CA GLU A 19 1.901 2.014 -0.975 1.00 0.00 C ATOM 313 C GLU A 19 2.401 0.677 -1.493 1.00 0.00 C ATOM 314 O GLU A 19 2.780 -0.201 -0.720 1.00 0.00 O ATOM 315 CB GLU A 19 2.567 2.330 0.375 1.00 0.00 C ATOM 316 CG GLU A 19 2.160 3.659 1.001 1.00 0.00 C ATOM 317 CD GLU A 19 0.733 3.671 1.516 1.00 0.00 C ATOM 318 OE1 GLU A 19 0.480 3.104 2.601 1.00 0.00 O ATOM 319 OE2 GLU A 19 -0.134 4.262 0.843 1.00 0.00 O ATOM 0 H GLU A 19 0.135 1.553 0.036 1.00 0.00 H new ATOM 0 HA GLU A 19 2.159 2.815 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.331 1.529 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.648 2.326 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.837 3.887 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.278 4.452 0.262 1.00 0.00 H new ATOM 326 N TYR A 20 2.383 0.502 -2.801 1.00 0.00 N ATOM 327 CA TYR A 20 2.723 -0.787 -3.368 1.00 0.00 C ATOM 328 C TYR A 20 4.164 -0.814 -3.846 1.00 0.00 C ATOM 329 O TYR A 20 4.722 0.209 -4.250 1.00 0.00 O ATOM 330 CB TYR A 20 1.755 -1.171 -4.494 1.00 0.00 C ATOM 331 CG TYR A 20 1.868 -0.363 -5.771 1.00 0.00 C ATOM 332 CD1 TYR A 20 2.729 -0.758 -6.788 1.00 0.00 C ATOM 333 CD2 TYR A 20 1.090 0.771 -5.971 1.00 0.00 C ATOM 334 CE1 TYR A 20 2.815 -0.046 -7.966 1.00 0.00 C ATOM 335 CE2 TYR A 20 1.175 1.493 -7.147 1.00 0.00 C ATOM 336 CZ TYR A 20 2.038 1.077 -8.141 1.00 0.00 C ATOM 337 OH TYR A 20 2.118 1.778 -9.320 1.00 0.00 O ATOM 0 H TYR A 20 2.141 1.223 -3.480 1.00 0.00 H new ATOM 0 HA TYR A 20 2.623 -1.533 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.911 -2.222 -4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.736 -1.078 -4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.341 -1.638 -6.653 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.409 1.093 -5.197 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.488 -0.368 -8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.570 2.377 -7.287 1.00 0.00 H new ATOM 0 HH TYR A 20 1.928 2.725 -9.151 1.00 0.00 H new ATOM 347 N HIS A 21 4.761 -1.991 -3.790 1.00 0.00 N ATOM 348 CA HIS A 21 6.150 -2.158 -4.178 1.00 0.00 C ATOM 349 C HIS A 21 6.347 -3.489 -4.885 1.00 0.00 C ATOM 350 O HIS A 21 5.552 -4.420 -4.718 1.00 0.00 O ATOM 351 CB HIS A 21 7.081 -2.053 -2.956 1.00 0.00 C ATOM 352 CG HIS A 21 6.966 -3.182 -1.971 1.00 0.00 C ATOM 353 ND1 HIS A 21 7.989 -4.074 -1.733 1.00 0.00 N ATOM 354 CD2 HIS A 21 5.952 -3.553 -1.151 1.00 0.00 C ATOM 355 CE1 HIS A 21 7.613 -4.940 -0.814 1.00 0.00 C ATOM 356 NE2 HIS A 21 6.382 -4.649 -0.445 1.00 0.00 N ATOM 0 H HIS A 21 4.304 -2.848 -3.478 1.00 0.00 H new ATOM 0 HA HIS A 21 6.408 -1.355 -4.869 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.112 -2.000 -3.307 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.872 -1.117 -2.439 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.987 -3.076 -1.069 1.00 0.00 H new ATOM 0 HE1 HIS A 21 8.212 -5.751 -0.428 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.837 -5.156 0.252 1.00 0.00 H new ATOM 365 N GLN A 22 7.410 -3.564 -5.668 1.00 0.00 N ATOM 366 CA GLN A 22 7.747 -4.767 -6.411 1.00 0.00 C ATOM 367 C GLN A 22 8.369 -5.796 -5.460 1.00 0.00 C ATOM 368 O GLN A 22 8.201 -5.689 -4.242 1.00 0.00 O ATOM 369 CB GLN A 22 8.707 -4.402 -7.552 1.00 0.00 C ATOM 370 CG GLN A 22 8.742 -5.409 -8.692 1.00 0.00 C ATOM 371 CD GLN A 22 7.373 -5.666 -9.288 1.00 0.00 C ATOM 372 OE1 GLN A 22 6.659 -6.570 -8.856 1.00 0.00 O ATOM 373 NE2 GLN A 22 6.998 -4.875 -10.280 1.00 0.00 N ATOM 0 H GLN A 22 8.064 -2.793 -5.807 1.00 0.00 H new ATOM 0 HA GLN A 22 6.851 -5.209 -6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.423 -3.429 -7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.713 -4.298 -7.145 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.411 -5.045 -9.472 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.158 -6.349 -8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.621 -4.137 -10.608 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.085 -5.003 -10.717 1.00 0.00 H new ATOM 382 N ASP A 23 9.042 -6.801 -6.019 1.00 0.00 N ATOM 383 CA ASP A 23 9.739 -7.836 -5.242 1.00 0.00 C ATOM 384 C ASP A 23 8.759 -8.844 -4.655 1.00 0.00 C ATOM 385 O ASP A 23 8.825 -10.031 -4.966 1.00 0.00 O ATOM 386 CB ASP A 23 10.598 -7.217 -4.132 1.00 0.00 C ATOM 387 CG ASP A 23 11.444 -8.240 -3.402 1.00 0.00 C ATOM 388 OD1 ASP A 23 10.966 -8.818 -2.403 1.00 0.00 O ATOM 389 OD2 ASP A 23 12.598 -8.464 -3.823 1.00 0.00 O ATOM 0 H ASP A 23 9.122 -6.924 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 23 10.399 -8.364 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.249 -6.457 -4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.949 -6.712 -3.416 1.00 0.00 H new ATOM 394 N LYS A 24 7.841 -8.374 -3.823 1.00 0.00 N ATOM 395 CA LYS A 24 6.857 -9.248 -3.208 1.00 0.00 C ATOM 396 C LYS A 24 5.473 -8.965 -3.770 1.00 0.00 C ATOM 397 O LYS A 24 4.492 -9.585 -3.361 1.00 0.00 O ATOM 398 CB LYS A 24 6.849 -9.076 -1.687 1.00 0.00 C ATOM 399 CG LYS A 24 8.112 -9.569 -1.004 1.00 0.00 C ATOM 400 CD LYS A 24 7.918 -9.694 0.502 1.00 0.00 C ATOM 401 CE LYS A 24 7.764 -8.336 1.177 1.00 0.00 C ATOM 402 NZ LYS A 24 7.226 -8.462 2.563 1.00 0.00 N ATOM 0 H LYS A 24 7.758 -7.392 -3.559 1.00 0.00 H new ATOM 0 HA LYS A 24 7.130 -10.278 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.709 -8.021 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.993 -9.611 -1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.397 -10.537 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.931 -8.881 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.035 -10.300 0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.770 -10.218 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.731 -7.834 1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.098 -7.709 0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.476 -7.614 3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.191 -8.558 2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.636 -9.302 3.019 1.00 0.00 H new ATOM 416 N GLN A 25 5.421 -8.033 -4.726 1.00 0.00 N ATOM 417 CA GLN A 25 4.176 -7.610 -5.358 1.00 0.00 C ATOM 418 C GLN A 25 3.070 -7.381 -4.329 1.00 0.00 C ATOM 419 O GLN A 25 2.023 -8.032 -4.365 1.00 0.00 O ATOM 420 CB GLN A 25 3.735 -8.632 -6.413 1.00 0.00 C ATOM 421 CG GLN A 25 4.682 -8.736 -7.595 1.00 0.00 C ATOM 422 CD GLN A 25 5.927 -9.550 -7.304 1.00 0.00 C ATOM 423 OE1 GLN A 25 5.902 -10.497 -6.520 1.00 0.00 O ATOM 424 NE2 GLN A 25 7.030 -9.177 -7.927 1.00 0.00 N ATOM 0 H GLN A 25 6.246 -7.551 -5.082 1.00 0.00 H new ATOM 0 HA GLN A 25 4.363 -6.657 -5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.646 -9.611 -5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.743 -8.362 -6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.153 -9.185 -8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.977 -7.733 -7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.010 -8.386 -8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.902 -9.680 -7.765 1.00 0.00 H new ATOM 433 N GLU A 26 3.314 -6.465 -3.403 1.00 0.00 N ATOM 434 CA GLU A 26 2.365 -6.199 -2.334 1.00 0.00 C ATOM 435 C GLU A 26 1.746 -4.810 -2.453 1.00 0.00 C ATOM 436 O GLU A 26 2.449 -3.824 -2.693 1.00 0.00 O ATOM 437 CB GLU A 26 3.058 -6.308 -0.983 1.00 0.00 C ATOM 438 CG GLU A 26 3.673 -7.664 -0.704 1.00 0.00 C ATOM 439 CD GLU A 26 4.520 -7.650 0.548 1.00 0.00 C ATOM 440 OE1 GLU A 26 5.183 -6.622 0.801 1.00 0.00 O ATOM 441 OE2 GLU A 26 4.530 -8.658 1.281 1.00 0.00 O ATOM 0 H GLU A 26 4.159 -5.895 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 26 1.571 -6.941 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.839 -5.550 -0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.336 -6.081 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.882 -8.407 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.285 -7.967 -1.553 1.00 0.00 H new ATOM 448 N LEU A 27 0.432 -4.750 -2.287 1.00 0.00 N ATOM 449 CA LEU A 27 -0.283 -3.489 -2.139 1.00 0.00 C ATOM 450 C LEU A 27 -0.412 -3.167 -0.657 1.00 0.00 C ATOM 451 O LEU A 27 -1.240 -3.759 0.033 1.00 0.00 O ATOM 452 CB LEU A 27 -1.691 -3.581 -2.741 1.00 0.00 C ATOM 453 CG LEU A 27 -1.777 -3.743 -4.258 1.00 0.00 C ATOM 454 CD1 LEU A 27 -3.136 -4.293 -4.656 1.00 0.00 C ATOM 455 CD2 LEU A 27 -1.536 -2.414 -4.949 1.00 0.00 C ATOM 0 H LEU A 27 -0.169 -5.574 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 27 0.274 -2.712 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.205 -4.424 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.240 -2.681 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.006 -4.447 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.181 -4.402 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.287 -5.265 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.917 -3.607 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.601 -2.548 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.289 -1.695 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.545 -2.043 -4.689 1.00 0.00 H new ATOM 467 N TRP A 28 0.384 -2.239 -0.162 1.00 0.00 N ATOM 468 CA TRP A 28 0.344 -1.904 1.252 1.00 0.00 C ATOM 469 C TRP A 28 -0.619 -0.762 1.490 1.00 0.00 C ATOM 470 O TRP A 28 -0.326 0.385 1.173 1.00 0.00 O ATOM 471 CB TRP A 28 1.725 -1.497 1.771 1.00 0.00 C ATOM 472 CG TRP A 28 2.651 -2.636 2.058 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.842 -3.763 1.312 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.539 -2.738 3.175 1.00 0.00 C ATOM 475 NE1 TRP A 28 3.788 -4.563 1.906 1.00 0.00 N ATOM 476 CE2 TRP A 28 4.231 -3.953 3.050 1.00 0.00 C ATOM 477 CE3 TRP A 28 3.813 -1.916 4.272 1.00 0.00 C ATOM 478 CZ2 TRP A 28 5.178 -4.369 3.977 1.00 0.00 C ATOM 479 CZ3 TRP A 28 4.754 -2.330 5.192 1.00 0.00 C ATOM 480 CH2 TRP A 28 5.428 -3.545 5.039 1.00 0.00 C ATOM 0 H TRP A 28 1.060 -1.707 -0.710 1.00 0.00 H new ATOM 0 HA TRP A 28 0.014 -2.794 1.788 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.194 -0.842 1.037 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.597 -0.913 2.683 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.326 -3.992 0.391 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.108 -5.465 1.553 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.298 -0.975 4.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.698 -5.309 3.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.974 -1.705 6.045 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.162 -3.839 5.775 1.00 0.00 H new ATOM 491 N SER A 29 -1.777 -1.072 2.033 1.00 0.00 N ATOM 492 CA SER A 29 -2.715 -0.042 2.393 1.00 0.00 C ATOM 493 C SER A 29 -2.702 0.123 3.897 1.00 0.00 C ATOM 494 O SER A 29 -3.450 -0.539 4.615 1.00 0.00 O ATOM 495 CB SER A 29 -4.123 -0.372 1.898 1.00 0.00 C ATOM 496 OG SER A 29 -4.960 0.774 1.957 1.00 0.00 O ATOM 0 H SER A 29 -2.086 -2.024 2.232 1.00 0.00 H new ATOM 0 HA SER A 29 -2.419 0.892 1.916 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.076 -0.741 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.549 -1.171 2.505 1.00 0.00 H new ATOM 0 HG SER A 29 -4.522 1.523 1.500 1.00 0.00 H new ATOM 502 N ARG A 30 -1.813 0.981 4.373 1.00 0.00 N ATOM 503 CA ARG A 30 -1.685 1.233 5.798 1.00 0.00 C ATOM 504 C ARG A 30 -3.003 1.776 6.346 1.00 0.00 C ATOM 505 O ARG A 30 -3.362 1.531 7.498 1.00 0.00 O ATOM 506 CB ARG A 30 -0.520 2.204 6.055 1.00 0.00 C ATOM 507 CG ARG A 30 -0.233 2.467 7.528 1.00 0.00 C ATOM 508 CD ARG A 30 -1.091 3.595 8.074 1.00 0.00 C ATOM 509 NE ARG A 30 -1.079 3.642 9.534 1.00 0.00 N ATOM 510 CZ ARG A 30 -1.760 4.533 10.251 1.00 0.00 C ATOM 511 NH1 ARG A 30 -2.477 5.471 9.639 1.00 0.00 N ATOM 512 NH2 ARG A 30 -1.726 4.483 11.578 1.00 0.00 N ATOM 0 H ARG A 30 -1.168 1.515 3.791 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.463 0.302 6.319 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.380 1.804 5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.739 3.153 5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.417 1.559 8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.820 2.717 7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.733 4.546 7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.116 3.471 7.725 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.517 2.952 10.033 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.505 5.508 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.999 6.154 10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.178 3.762 12.047 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.248 5.166 12.128 1.00 0.00 H new ATOM 526 N GLN A 31 -3.734 2.478 5.493 1.00 0.00 N ATOM 527 CA GLN A 31 -5.005 3.063 5.862 1.00 0.00 C ATOM 528 C GLN A 31 -6.094 2.000 6.004 1.00 0.00 C ATOM 529 O GLN A 31 -7.058 2.184 6.749 1.00 0.00 O ATOM 530 CB GLN A 31 -5.397 4.096 4.821 1.00 0.00 C ATOM 531 CG GLN A 31 -4.467 5.299 4.793 1.00 0.00 C ATOM 532 CD GLN A 31 -4.428 6.026 6.125 1.00 0.00 C ATOM 533 OE1 GLN A 31 -3.615 5.715 6.998 1.00 0.00 O ATOM 534 NE2 GLN A 31 -5.306 7.000 6.290 1.00 0.00 N ATOM 0 H GLN A 31 -3.459 2.656 4.527 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.899 3.544 6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.404 3.627 3.837 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.414 4.435 5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.461 4.972 4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.792 5.989 4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.962 7.227 5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.327 7.525 7.164 1.00 0.00 H new ATOM 543 N ALA A 32 -5.934 0.887 5.295 1.00 0.00 N ATOM 544 CA ALA A 32 -6.881 -0.217 5.391 1.00 0.00 C ATOM 545 C ALA A 32 -6.358 -1.263 6.363 1.00 0.00 C ATOM 546 O ALA A 32 -7.062 -2.211 6.714 1.00 0.00 O ATOM 547 CB ALA A 32 -7.129 -0.838 4.023 1.00 0.00 C ATOM 0 H ALA A 32 -5.160 0.726 4.650 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.830 0.170 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.839 -1.660 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.536 -0.084 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.190 -1.216 3.619 1.00 0.00 H new ATOM 553 N LYS A 33 -5.106 -1.062 6.790 1.00 0.00 N ATOM 554 CA LYS A 33 -4.427 -1.942 7.741 1.00 0.00 C ATOM 555 C LYS A 33 -4.200 -3.322 7.128 1.00 0.00 C ATOM 556 O LYS A 33 -3.995 -4.312 7.838 1.00 0.00 O ATOM 557 CB LYS A 33 -5.234 -2.046 9.042 1.00 0.00 C ATOM 558 CG LYS A 33 -5.609 -0.691 9.634 1.00 0.00 C ATOM 559 CD LYS A 33 -6.614 -0.828 10.771 1.00 0.00 C ATOM 560 CE LYS A 33 -5.963 -1.312 12.057 1.00 0.00 C ATOM 561 NZ LYS A 33 -5.038 -0.296 12.626 1.00 0.00 N ATOM 0 H LYS A 33 -4.533 -0.277 6.481 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.453 -1.514 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.144 -2.615 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.655 -2.607 9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.711 -0.194 10.001 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.028 -0.057 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.093 0.135 10.948 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.399 -1.525 10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.736 -1.550 12.788 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.415 -2.234 11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.102 -0.724 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.951 0.503 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.413 0.045 13.534 1.00 0.00 H new ATOM 575 N LEU A 34 -4.196 -3.364 5.801 1.00 0.00 N ATOM 576 CA LEU A 34 -4.074 -4.619 5.076 1.00 0.00 C ATOM 577 C LEU A 34 -3.080 -4.499 3.926 1.00 0.00 C ATOM 578 O LEU A 34 -2.582 -3.415 3.614 1.00 0.00 O ATOM 579 CB LEU A 34 -5.433 -5.049 4.509 1.00 0.00 C ATOM 580 CG LEU A 34 -6.564 -5.228 5.529 1.00 0.00 C ATOM 581 CD1 LEU A 34 -7.882 -5.492 4.818 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.249 -6.364 6.491 1.00 0.00 C ATOM 0 H LEU A 34 -4.276 -2.540 5.205 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.715 -5.367 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.748 -4.308 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.300 -5.990 3.976 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.653 -4.306 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.675 -5.617 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.120 -4.650 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.797 -6.399 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.065 -6.473 7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.130 -7.292 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.326 -6.142 7.026 1.00 0.00 H new ATOM 594 N ALA A 35 -2.827 -5.626 3.293 1.00 0.00 N ATOM 595 CA ALA A 35 -1.955 -5.701 2.138 1.00 0.00 C ATOM 596 C ALA A 35 -2.580 -6.598 1.077 1.00 0.00 C ATOM 597 O ALA A 35 -2.864 -7.768 1.330 1.00 0.00 O ATOM 598 CB ALA A 35 -0.579 -6.218 2.535 1.00 0.00 C ATOM 0 H ALA A 35 -3.224 -6.524 3.568 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.831 -4.700 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.060 -6.267 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.135 -5.545 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.675 -7.213 2.968 1.00 0.00 H new ATOM 604 N TYR A 36 -2.806 -6.040 -0.099 1.00 0.00 N ATOM 605 CA TYR A 36 -3.467 -6.763 -1.179 1.00 0.00 C ATOM 606 C TYR A 36 -2.434 -7.306 -2.167 1.00 0.00 C ATOM 607 O TYR A 36 -1.343 -6.753 -2.294 1.00 0.00 O ATOM 608 CB TYR A 36 -4.456 -5.844 -1.904 1.00 0.00 C ATOM 609 CG TYR A 36 -5.477 -5.193 -0.995 1.00 0.00 C ATOM 610 CD1 TYR A 36 -6.675 -5.826 -0.697 1.00 0.00 C ATOM 611 CD2 TYR A 36 -5.241 -3.943 -0.434 1.00 0.00 C ATOM 612 CE1 TYR A 36 -7.611 -5.236 0.131 1.00 0.00 C ATOM 613 CE2 TYR A 36 -6.171 -3.345 0.396 1.00 0.00 C ATOM 614 CZ TYR A 36 -7.354 -3.997 0.675 1.00 0.00 C ATOM 615 OH TYR A 36 -8.283 -3.407 1.501 1.00 0.00 O ATOM 0 H TYR A 36 -2.541 -5.084 -0.334 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.015 -7.602 -0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.898 -5.064 -2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.980 -6.421 -2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.880 -6.798 -1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.315 -3.430 -0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.539 -5.744 0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.972 -2.373 0.823 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.948 -2.536 1.801 1.00 0.00 H new ATOM 625 N PRO A 37 -2.750 -8.407 -2.865 1.00 0.00 N ATOM 626 CA PRO A 37 -1.823 -9.021 -3.821 1.00 0.00 C ATOM 627 C PRO A 37 -1.736 -8.274 -5.159 1.00 0.00 C ATOM 628 O PRO A 37 -2.726 -7.734 -5.659 1.00 0.00 O ATOM 629 CB PRO A 37 -2.413 -10.418 -4.023 1.00 0.00 C ATOM 630 CG PRO A 37 -3.875 -10.246 -3.798 1.00 0.00 C ATOM 631 CD PRO A 37 -4.016 -9.163 -2.761 1.00 0.00 C ATOM 0 HA PRO A 37 -0.799 -9.013 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.208 -10.793 -5.026 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.986 -11.134 -3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.381 -9.968 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.328 -11.176 -3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.879 -8.528 -2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.152 -9.580 -1.763 1.00 0.00 H new ATOM 639 N ILE A 38 -0.531 -8.234 -5.716 1.00 0.00 N ATOM 640 CA ILE A 38 -0.300 -7.676 -7.040 1.00 0.00 C ATOM 641 C ILE A 38 0.078 -8.782 -8.016 1.00 0.00 C ATOM 642 O ILE A 38 0.989 -9.569 -7.754 1.00 0.00 O ATOM 643 CB ILE A 38 0.819 -6.604 -7.003 1.00 0.00 C ATOM 644 CG1 ILE A 38 0.254 -5.266 -6.535 1.00 0.00 C ATOM 645 CG2 ILE A 38 1.498 -6.449 -8.362 1.00 0.00 C ATOM 646 CD1 ILE A 38 -0.547 -4.552 -7.598 1.00 0.00 C ATOM 0 H ILE A 38 0.311 -8.587 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.223 -7.200 -7.373 1.00 0.00 H new ATOM 0 HB ILE A 38 1.576 -6.939 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.379 -5.432 -5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.075 -4.624 -6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.276 -5.689 -8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.943 -7.399 -8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.760 -6.148 -9.105 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.920 -3.608 -7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.088 -4.356 -8.462 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.388 -5.176 -7.900 1.00 0.00 H new ATOM 658 N LYS A 39 -0.633 -8.855 -9.129 1.00 0.00 N ATOM 659 CA LYS A 39 -0.314 -9.814 -10.164 1.00 0.00 C ATOM 660 C LYS A 39 0.355 -9.130 -11.348 1.00 0.00 C ATOM 661 O LYS A 39 -0.305 -8.774 -12.324 1.00 0.00 O ATOM 662 CB LYS A 39 -1.574 -10.549 -10.610 1.00 0.00 C ATOM 663 CG LYS A 39 -2.045 -11.601 -9.619 1.00 0.00 C ATOM 664 CD LYS A 39 -0.999 -12.683 -9.435 1.00 0.00 C ATOM 665 CE LYS A 39 -1.432 -13.713 -8.409 1.00 0.00 C ATOM 666 NZ LYS A 39 -0.438 -14.813 -8.279 1.00 0.00 N ATOM 0 H LYS A 39 -1.435 -8.259 -9.336 1.00 0.00 H new ATOM 0 HA LYS A 39 0.387 -10.542 -9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.373 -9.824 -10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.386 -11.026 -11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.260 -11.131 -8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.976 -12.046 -9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.813 -13.176 -10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.058 -12.230 -9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.567 -13.229 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.398 -14.128 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.768 -15.497 -7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.328 -15.291 -9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.478 -14.420 -7.981 1.00 0.00 H new ATOM 680 N ASP A 40 1.663 -8.912 -11.227 1.00 0.00 N ATOM 681 CA ASP A 40 2.469 -8.319 -12.302 1.00 0.00 C ATOM 682 C ASP A 40 1.921 -6.962 -12.740 1.00 0.00 C ATOM 683 O ASP A 40 1.900 -6.642 -13.929 1.00 0.00 O ATOM 684 CB ASP A 40 2.550 -9.268 -13.503 1.00 0.00 C ATOM 685 CG ASP A 40 3.518 -10.411 -13.282 1.00 0.00 C ATOM 686 OD1 ASP A 40 3.108 -11.451 -12.727 1.00 0.00 O ATOM 687 OD2 ASP A 40 4.699 -10.274 -13.668 1.00 0.00 O ATOM 0 H ASP A 40 2.195 -9.139 -10.387 1.00 0.00 H new ATOM 0 HA ASP A 40 3.472 -8.161 -11.905 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.559 -9.672 -13.709 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.855 -8.705 -14.385 1.00 0.00 H new ATOM 692 N GLY A 41 1.487 -6.164 -11.775 1.00 0.00 N ATOM 693 CA GLY A 41 0.980 -4.842 -12.084 1.00 0.00 C ATOM 694 C GLY A 41 -0.532 -4.794 -12.100 1.00 0.00 C ATOM 695 O GLY A 41 -1.122 -3.740 -12.321 1.00 0.00 O ATOM 0 H GLY A 41 1.477 -6.408 -10.785 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.356 -4.131 -11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.361 -4.527 -13.056 1.00 0.00 H new ATOM 699 N ILE A 42 -1.154 -5.942 -11.875 1.00 0.00 N ATOM 700 CA ILE A 42 -2.608 -6.050 -11.827 1.00 0.00 C ATOM 701 C ILE A 42 -3.082 -6.196 -10.380 1.00 0.00 C ATOM 702 O ILE A 42 -3.090 -7.300 -9.835 1.00 0.00 O ATOM 703 CB ILE A 42 -3.126 -7.240 -12.666 1.00 0.00 C ATOM 704 CG1 ILE A 42 -2.597 -7.162 -14.103 1.00 0.00 C ATOM 705 CG2 ILE A 42 -4.647 -7.276 -12.663 1.00 0.00 C ATOM 706 CD1 ILE A 42 -3.034 -5.924 -14.860 1.00 0.00 C ATOM 0 H ILE A 42 -0.667 -6.825 -11.721 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.015 -5.134 -12.255 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.757 -8.160 -12.213 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.508 -7.194 -14.079 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.930 -8.045 -14.649 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.992 -8.121 -13.259 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.006 -7.383 -11.640 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.034 -6.350 -13.088 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.617 -5.947 -15.867 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.122 -5.898 -14.918 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.678 -5.035 -14.340 1.00 0.00 H new ATOM 718 N PRO A 43 -3.379 -5.064 -9.711 1.00 0.00 N ATOM 719 CA PRO A 43 -3.827 -5.050 -8.307 1.00 0.00 C ATOM 720 C PRO A 43 -5.118 -5.840 -8.099 1.00 0.00 C ATOM 721 O PRO A 43 -6.021 -5.798 -8.935 1.00 0.00 O ATOM 722 CB PRO A 43 -4.078 -3.562 -8.021 1.00 0.00 C ATOM 723 CG PRO A 43 -3.316 -2.828 -9.065 1.00 0.00 C ATOM 724 CD PRO A 43 -3.336 -3.708 -10.278 1.00 0.00 C ATOM 0 HA PRO A 43 -3.091 -5.512 -7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.141 -3.326 -8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.738 -3.291 -7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.773 -1.861 -9.276 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.294 -2.634 -8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.204 -3.507 -10.907 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.452 -3.559 -10.898 1.00 0.00 H new ATOM 732 N TYR A 44 -5.202 -6.556 -6.982 1.00 0.00 N ATOM 733 CA TYR A 44 -6.396 -7.311 -6.642 1.00 0.00 C ATOM 734 C TYR A 44 -6.808 -7.047 -5.204 1.00 0.00 C ATOM 735 O TYR A 44 -6.311 -7.680 -4.275 1.00 0.00 O ATOM 736 CB TYR A 44 -6.183 -8.810 -6.850 1.00 0.00 C ATOM 737 CG TYR A 44 -6.250 -9.235 -8.295 1.00 0.00 C ATOM 738 CD1 TYR A 44 -7.457 -9.224 -8.977 1.00 0.00 C ATOM 739 CD2 TYR A 44 -5.114 -9.648 -8.972 1.00 0.00 C ATOM 740 CE1 TYR A 44 -7.530 -9.611 -10.298 1.00 0.00 C ATOM 741 CE2 TYR A 44 -5.180 -10.037 -10.294 1.00 0.00 C ATOM 742 CZ TYR A 44 -6.389 -10.018 -10.952 1.00 0.00 C ATOM 743 OH TYR A 44 -6.455 -10.404 -12.267 1.00 0.00 O ATOM 0 H TYR A 44 -4.451 -6.627 -6.295 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.193 -6.979 -7.308 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.212 -9.090 -6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.936 -9.357 -6.284 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.354 -8.907 -8.465 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.164 -9.666 -8.458 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.477 -9.595 -10.817 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.287 -10.355 -10.811 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.562 -10.660 -12.578 1.00 0.00 H new ATOM 753 N MET A 45 -7.696 -6.087 -5.027 1.00 0.00 N ATOM 754 CA MET A 45 -8.265 -5.797 -3.722 1.00 0.00 C ATOM 755 C MET A 45 -9.320 -6.844 -3.389 1.00 0.00 C ATOM 756 O MET A 45 -10.522 -6.571 -3.416 1.00 0.00 O ATOM 757 CB MET A 45 -8.890 -4.393 -3.678 1.00 0.00 C ATOM 758 CG MET A 45 -7.936 -3.259 -4.036 1.00 0.00 C ATOM 759 SD MET A 45 -7.545 -3.204 -5.795 1.00 0.00 S ATOM 760 CE MET A 45 -6.575 -1.701 -5.880 1.00 0.00 C ATOM 0 H MET A 45 -8.042 -5.489 -5.777 1.00 0.00 H new ATOM 0 HA MET A 45 -7.463 -5.827 -2.984 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.738 -4.366 -4.363 1.00 0.00 H new ATOM 0 HB3 MET A 45 -9.283 -4.216 -2.677 1.00 0.00 H new ATOM 0 HG2 MET A 45 -8.380 -2.309 -3.737 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.013 -3.373 -3.467 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.439 -1.414 -6.923 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.094 -0.903 -5.349 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.601 -1.870 -5.420 1.00 0.00 H new ATOM 770 N LEU A 46 -8.863 -8.057 -3.131 1.00 0.00 N ATOM 771 CA LEU A 46 -9.747 -9.165 -2.841 1.00 0.00 C ATOM 772 C LEU A 46 -9.648 -9.540 -1.370 1.00 0.00 C ATOM 773 O LEU A 46 -8.553 -9.654 -0.825 1.00 0.00 O ATOM 774 CB LEU A 46 -9.391 -10.347 -3.738 1.00 0.00 C ATOM 775 CG LEU A 46 -9.652 -10.111 -5.230 1.00 0.00 C ATOM 776 CD1 LEU A 46 -9.088 -11.248 -6.061 1.00 0.00 C ATOM 777 CD2 LEU A 46 -11.143 -9.957 -5.492 1.00 0.00 C ATOM 0 H LEU A 46 -7.872 -8.298 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.778 -8.876 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.337 -10.588 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.962 -11.217 -3.415 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.149 -9.189 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.285 -11.060 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.012 -11.318 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.561 -12.184 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.310 -9.790 -6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.663 -10.863 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.526 -9.107 -4.927 1.00 0.00 H new ATOM 789 N GLU A 47 -10.798 -9.739 -0.744 1.00 0.00 N ATOM 790 CA GLU A 47 -10.882 -9.873 0.706 1.00 0.00 C ATOM 791 C GLU A 47 -10.149 -11.110 1.219 1.00 0.00 C ATOM 792 O GLU A 47 -9.387 -11.034 2.181 1.00 0.00 O ATOM 793 CB GLU A 47 -12.346 -9.924 1.137 1.00 0.00 C ATOM 794 CG GLU A 47 -13.138 -8.700 0.730 1.00 0.00 C ATOM 795 CD GLU A 47 -14.597 -8.806 1.111 1.00 0.00 C ATOM 796 OE1 GLU A 47 -14.955 -8.399 2.237 1.00 0.00 O ATOM 797 OE2 GLU A 47 -15.393 -9.303 0.286 1.00 0.00 O ATOM 0 H GLU A 47 -11.696 -9.812 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.394 -9.001 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.813 -10.809 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.394 -10.034 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.705 -7.817 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.056 -8.559 -0.348 1.00 0.00 H new ATOM 804 N ASN A 48 -10.369 -12.238 0.564 1.00 0.00 N ATOM 805 CA ASN A 48 -9.845 -13.514 1.045 1.00 0.00 C ATOM 806 C ASN A 48 -8.350 -13.634 0.771 1.00 0.00 C ATOM 807 O ASN A 48 -7.649 -14.425 1.405 1.00 0.00 O ATOM 808 CB ASN A 48 -10.609 -14.676 0.394 1.00 0.00 C ATOM 809 CG ASN A 48 -10.277 -16.023 1.015 1.00 0.00 C ATOM 810 OD1 ASN A 48 -10.869 -16.416 2.023 1.00 0.00 O ATOM 811 ND2 ASN A 48 -9.366 -16.760 0.398 1.00 0.00 N ATOM 0 H ASN A 48 -10.906 -12.300 -0.301 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.989 -13.558 2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.680 -14.495 0.482 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.377 -14.705 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.133 -17.687 0.754 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.897 -16.401 -0.434 1.00 0.00 H new ATOM 818 N GLU A 49 -7.859 -12.837 -0.159 1.00 0.00 N ATOM 819 CA GLU A 49 -6.458 -12.887 -0.542 1.00 0.00 C ATOM 820 C GLU A 49 -5.653 -11.775 0.123 1.00 0.00 C ATOM 821 O GLU A 49 -4.440 -11.900 0.294 1.00 0.00 O ATOM 822 CB GLU A 49 -6.346 -12.826 -2.059 1.00 0.00 C ATOM 823 CG GLU A 49 -6.967 -14.042 -2.717 1.00 0.00 C ATOM 824 CD GLU A 49 -7.007 -13.967 -4.224 1.00 0.00 C ATOM 825 OE1 GLU A 49 -5.932 -14.008 -4.863 1.00 0.00 O ATOM 826 OE2 GLU A 49 -8.122 -13.915 -4.780 1.00 0.00 O ATOM 0 H GLU A 49 -8.411 -12.144 -0.666 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.033 -13.828 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.837 -11.924 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.296 -12.755 -2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.407 -14.929 -2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.983 -14.167 -2.342 1.00 0.00 H new ATOM 833 N ALA A 50 -6.327 -10.690 0.489 1.00 0.00 N ATOM 834 CA ALA A 50 -5.698 -9.619 1.256 1.00 0.00 C ATOM 835 C ALA A 50 -5.144 -10.144 2.579 1.00 0.00 C ATOM 836 O ALA A 50 -5.805 -10.913 3.282 1.00 0.00 O ATOM 837 CB ALA A 50 -6.692 -8.501 1.519 1.00 0.00 C ATOM 0 H ALA A 50 -7.309 -10.528 0.267 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.869 -9.227 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.207 -7.710 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.045 -8.097 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.538 -8.892 2.084 1.00 0.00 H new ATOM 843 N ARG A 51 -3.929 -9.735 2.909 1.00 0.00 N ATOM 844 CA ARG A 51 -3.295 -10.139 4.147 1.00 0.00 C ATOM 845 C ARG A 51 -3.262 -8.962 5.117 1.00 0.00 C ATOM 846 O ARG A 51 -3.118 -7.819 4.697 1.00 0.00 O ATOM 847 CB ARG A 51 -1.871 -10.620 3.864 1.00 0.00 C ATOM 848 CG ARG A 51 -1.778 -11.665 2.761 1.00 0.00 C ATOM 849 CD ARG A 51 -2.625 -12.891 3.059 1.00 0.00 C ATOM 850 NE ARG A 51 -2.167 -13.613 4.246 1.00 0.00 N ATOM 851 CZ ARG A 51 -2.264 -14.934 4.395 1.00 0.00 C ATOM 852 NH1 ARG A 51 -2.771 -15.683 3.417 1.00 0.00 N ATOM 853 NH2 ARG A 51 -1.842 -15.508 5.513 1.00 0.00 N ATOM 0 H ARG A 51 -3.361 -9.118 2.329 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.865 -10.954 4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.256 -9.762 3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.450 -11.035 4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.099 -11.224 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.738 -11.966 2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.662 -12.587 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.604 -13.561 2.199 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.749 -13.074 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.086 -15.246 2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.844 -16.694 3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.443 -14.939 6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.916 -16.519 5.627 1.00 0.00 H new ATOM 867 N PRO A 52 -3.415 -9.211 6.421 1.00 0.00 N ATOM 868 CA PRO A 52 -3.336 -8.158 7.436 1.00 0.00 C ATOM 869 C PRO A 52 -1.893 -7.725 7.707 1.00 0.00 C ATOM 870 O PRO A 52 -0.956 -8.495 7.499 1.00 0.00 O ATOM 871 CB PRO A 52 -3.939 -8.810 8.692 1.00 0.00 C ATOM 872 CG PRO A 52 -4.475 -10.136 8.253 1.00 0.00 C ATOM 873 CD PRO A 52 -3.707 -10.515 7.020 1.00 0.00 C ATOM 0 HA PRO A 52 -3.858 -7.255 7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.184 -8.932 9.469 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.730 -8.189 9.112 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.348 -10.885 9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.543 -10.073 8.042 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.797 -11.065 7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.294 -11.146 6.353 1.00 0.00 H new ATOM 881 N LEU A 53 -1.714 -6.488 8.152 1.00 0.00 N ATOM 882 CA LEU A 53 -0.403 -6.000 8.532 1.00 0.00 C ATOM 883 C LEU A 53 -0.257 -6.005 10.042 1.00 0.00 C ATOM 884 O LEU A 53 -1.240 -6.147 10.771 1.00 0.00 O ATOM 885 CB LEU A 53 -0.191 -4.584 8.007 1.00 0.00 C ATOM 886 CG LEU A 53 0.086 -4.479 6.510 1.00 0.00 C ATOM 887 CD1 LEU A 53 0.212 -3.024 6.083 1.00 0.00 C ATOM 888 CD2 LEU A 53 1.343 -5.255 6.135 1.00 0.00 C ATOM 0 H LEU A 53 -2.465 -5.806 8.257 1.00 0.00 H new ATOM 0 HA LEU A 53 0.347 -6.660 8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.076 -3.992 8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.643 -4.135 8.547 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.759 -4.919 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.409 -2.975 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.716 -2.498 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.033 -2.556 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.520 -5.165 5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.196 -4.850 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.213 -6.306 6.395 1.00 0.00 H new ATOM 900 N SER A 54 0.968 -5.853 10.510 1.00 0.00 N ATOM 901 CA SER A 54 1.216 -5.741 11.935 1.00 0.00 C ATOM 902 C SER A 54 1.377 -4.282 12.319 1.00 0.00 C ATOM 903 O SER A 54 1.495 -3.417 11.450 1.00 0.00 O ATOM 904 CB SER A 54 2.463 -6.529 12.334 1.00 0.00 C ATOM 905 OG SER A 54 3.569 -6.181 11.517 1.00 0.00 O ATOM 0 H SER A 54 1.803 -5.804 9.927 1.00 0.00 H new ATOM 0 HA SER A 54 0.362 -6.160 12.467 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.703 -6.332 13.379 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.265 -7.597 12.248 1.00 0.00 H new ATOM 0 HG SER A 54 4.355 -6.697 11.793 1.00 0.00 H new ATOM 911 N GLU A 55 1.388 -4.015 13.614 1.00 0.00 N ATOM 912 CA GLU A 55 1.554 -2.672 14.121 1.00 0.00 C ATOM 913 C GLU A 55 2.899 -2.100 13.709 1.00 0.00 C ATOM 914 O GLU A 55 3.016 -0.912 13.446 1.00 0.00 O ATOM 915 CB GLU A 55 1.420 -2.666 15.637 1.00 0.00 C ATOM 916 CG GLU A 55 0.173 -1.948 16.113 1.00 0.00 C ATOM 917 CD GLU A 55 0.131 -1.766 17.614 1.00 0.00 C ATOM 918 OE1 GLU A 55 1.142 -1.315 18.195 1.00 0.00 O ATOM 919 OE2 GLU A 55 -0.917 -2.062 18.224 1.00 0.00 O ATOM 0 H GLU A 55 1.282 -4.725 14.339 1.00 0.00 H new ATOM 0 HA GLU A 55 0.773 -2.044 13.693 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.403 -3.694 16.000 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.298 -2.189 16.073 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.117 -0.971 15.633 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.706 -2.509 15.796 1.00 0.00 H new ATOM 926 N GLU A 56 3.907 -2.957 13.658 1.00 0.00 N ATOM 927 CA GLU A 56 5.229 -2.570 13.209 1.00 0.00 C ATOM 928 C GLU A 56 5.180 -2.077 11.765 1.00 0.00 C ATOM 929 O GLU A 56 5.702 -1.007 11.448 1.00 0.00 O ATOM 930 CB GLU A 56 6.155 -3.774 13.338 1.00 0.00 C ATOM 931 CG GLU A 56 7.512 -3.463 13.930 1.00 0.00 C ATOM 932 CD GLU A 56 8.374 -2.613 13.023 1.00 0.00 C ATOM 933 OE1 GLU A 56 8.812 -3.119 11.970 1.00 0.00 O ATOM 934 OE2 GLU A 56 8.632 -1.439 13.369 1.00 0.00 O ATOM 0 H GLU A 56 3.829 -3.938 13.927 1.00 0.00 H new ATOM 0 HA GLU A 56 5.605 -1.752 13.824 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.667 -4.527 13.957 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.296 -4.215 12.351 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.377 -2.948 14.881 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.031 -4.397 14.144 1.00 0.00 H new ATOM 941 N GLU A 57 4.539 -2.858 10.900 1.00 0.00 N ATOM 942 CA GLU A 57 4.346 -2.484 9.510 1.00 0.00 C ATOM 943 C GLU A 57 3.530 -1.201 9.398 1.00 0.00 C ATOM 944 O GLU A 57 3.930 -0.246 8.735 1.00 0.00 O ATOM 945 CB GLU A 57 3.636 -3.617 8.792 1.00 0.00 C ATOM 946 CG GLU A 57 4.383 -4.936 8.878 1.00 0.00 C ATOM 947 CD GLU A 57 5.761 -4.901 8.237 1.00 0.00 C ATOM 948 OE1 GLU A 57 6.644 -4.186 8.753 1.00 0.00 O ATOM 949 OE2 GLU A 57 5.981 -5.623 7.240 1.00 0.00 O ATOM 0 H GLU A 57 4.141 -3.765 11.146 1.00 0.00 H new ATOM 0 HA GLU A 57 5.318 -2.302 9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.640 -3.742 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.504 -3.349 7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.487 -5.217 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.788 -5.712 8.397 1.00 0.00 H new ATOM 956 N LEU A 58 2.376 -1.205 10.049 1.00 0.00 N ATOM 957 CA LEU A 58 1.498 -0.036 10.117 1.00 0.00 C ATOM 958 C LEU A 58 2.232 1.215 10.596 1.00 0.00 C ATOM 959 O LEU A 58 2.050 2.299 10.044 1.00 0.00 O ATOM 960 CB LEU A 58 0.331 -0.321 11.052 1.00 0.00 C ATOM 961 CG LEU A 58 -0.601 -1.439 10.593 1.00 0.00 C ATOM 962 CD1 LEU A 58 -1.698 -1.676 11.617 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.200 -1.114 9.232 1.00 0.00 C ATOM 0 H LEU A 58 2.017 -2.019 10.548 1.00 0.00 H new ATOM 0 HA LEU A 58 1.138 0.155 9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.726 -0.578 12.035 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.252 0.592 11.171 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.016 -2.354 10.500 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.352 -2.477 11.271 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.251 -1.959 12.570 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.279 -0.763 11.745 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.861 -1.923 8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.768 -0.186 9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.400 -0.999 8.500 1.00 0.00 H new ATOM 975 N LYS A 59 3.040 1.058 11.638 1.00 0.00 N ATOM 976 CA LYS A 59 3.797 2.158 12.211 1.00 0.00 C ATOM 977 C LYS A 59 4.859 2.674 11.246 1.00 0.00 C ATOM 978 O LYS A 59 5.296 3.822 11.342 1.00 0.00 O ATOM 979 CB LYS A 59 4.441 1.700 13.513 1.00 0.00 C ATOM 980 CG LYS A 59 3.736 2.198 14.763 1.00 0.00 C ATOM 981 CD LYS A 59 3.908 3.696 14.944 1.00 0.00 C ATOM 982 CE LYS A 59 3.179 4.197 16.179 1.00 0.00 C ATOM 983 NZ LYS A 59 3.506 5.617 16.472 1.00 0.00 N ATOM 0 H LYS A 59 3.187 0.164 12.107 1.00 0.00 H new ATOM 0 HA LYS A 59 3.112 2.982 12.408 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.463 0.610 13.531 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.476 2.040 13.533 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.674 1.958 14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.131 1.678 15.636 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.969 3.934 15.025 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.531 4.215 14.063 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.104 4.094 16.034 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.446 3.578 17.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.990 5.924 17.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.529 5.711 16.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.228 6.211 15.665 1.00 0.00 H new ATOM 997 N ALA A 60 5.248 1.832 10.303 1.00 0.00 N ATOM 998 CA ALA A 60 6.208 2.213 9.272 1.00 0.00 C ATOM 999 C ALA A 60 5.490 2.920 8.124 1.00 0.00 C ATOM 1000 O ALA A 60 5.778 2.694 6.950 1.00 0.00 O ATOM 1001 CB ALA A 60 6.956 0.986 8.766 1.00 0.00 C ATOM 0 H ALA A 60 4.912 0.872 10.228 1.00 0.00 H new ATOM 0 HA ALA A 60 6.935 2.902 9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.669 1.286 7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.490 0.518 9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.245 0.275 8.345 1.00 0.00 H new ATOM 1007 N LEU A 61 4.577 3.810 8.490 1.00 0.00 N ATOM 1008 CA LEU A 61 3.721 4.510 7.532 1.00 0.00 C ATOM 1009 C LEU A 61 4.435 5.681 6.870 1.00 0.00 C ATOM 1010 O LEU A 61 3.832 6.440 6.107 1.00 0.00 O ATOM 1011 CB LEU A 61 2.449 4.990 8.245 1.00 0.00 C ATOM 1012 CG LEU A 61 2.671 5.916 9.454 1.00 0.00 C ATOM 1013 CD1 LEU A 61 2.793 7.371 9.024 1.00 0.00 C ATOM 1014 CD2 LEU A 61 1.549 5.754 10.464 1.00 0.00 C ATOM 0 H LEU A 61 4.406 4.070 9.461 1.00 0.00 H new ATOM 0 HA LEU A 61 3.460 3.810 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.824 5.512 7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.889 4.116 8.578 1.00 0.00 H new ATOM 0 HG LEU A 61 3.610 5.627 9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.949 7.998 9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.639 7.480 8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.879 7.678 8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.724 6.417 11.311 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.598 6.007 9.995 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.518 4.721 10.811 1.00 0.00 H new ATOM 1026 N GLU A 62 5.718 5.779 7.152 1.00 0.00 N ATOM 1027 CA GLU A 62 6.560 6.888 6.706 1.00 0.00 C ATOM 1028 C GLU A 62 6.011 8.223 7.170 1.00 0.00 C ATOM 1029 O GLU A 62 5.093 8.805 6.585 1.00 0.00 O ATOM 1030 CB GLU A 62 6.740 6.888 5.200 1.00 0.00 C ATOM 1031 CG GLU A 62 7.607 8.026 4.674 1.00 0.00 C ATOM 1032 CD GLU A 62 7.815 7.962 3.173 1.00 0.00 C ATOM 1033 OE1 GLU A 62 6.811 7.971 2.424 1.00 0.00 O ATOM 1034 OE2 GLU A 62 8.982 7.898 2.733 1.00 0.00 O ATOM 0 H GLU A 62 6.220 5.084 7.705 1.00 0.00 H new ATOM 0 HA GLU A 62 7.539 6.742 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.184 5.939 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.759 6.946 4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.144 8.978 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.576 7.998 5.172 1.00 0.00 H new ATOM 1041 N HIS A 63 6.606 8.698 8.222 1.00 0.00 N ATOM 1042 CA HIS A 63 6.197 9.948 8.839 1.00 0.00 C ATOM 1043 C HIS A 63 6.987 11.103 8.239 1.00 0.00 C ATOM 1044 O HIS A 63 6.430 12.150 7.920 1.00 0.00 O ATOM 1045 CB HIS A 63 6.388 9.899 10.357 1.00 0.00 C ATOM 1046 CG HIS A 63 5.962 11.160 11.053 1.00 0.00 C ATOM 1047 ND1 HIS A 63 6.831 11.952 11.763 1.00 0.00 N ATOM 1048 CD2 HIS A 63 4.754 11.767 11.128 1.00 0.00 C ATOM 1049 CE1 HIS A 63 6.181 12.995 12.245 1.00 0.00 C ATOM 1050 NE2 HIS A 63 4.917 12.908 11.874 1.00 0.00 N ATOM 0 H HIS A 63 7.390 8.239 8.686 1.00 0.00 H new ATOM 0 HA HIS A 63 5.136 10.101 8.641 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.820 9.061 10.760 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.438 9.708 10.578 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.833 11.418 10.684 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.611 13.786 12.842 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.183 13.578 12.104 1.00 0.00 H new ATOM 1059 N HIS A 64 8.286 10.898 8.089 1.00 0.00 N ATOM 1060 CA HIS A 64 9.145 11.894 7.461 1.00 0.00 C ATOM 1061 C HIS A 64 9.565 11.415 6.076 1.00 0.00 C ATOM 1062 O HIS A 64 10.240 10.396 5.934 1.00 0.00 O ATOM 1063 CB HIS A 64 10.370 12.245 8.341 1.00 0.00 C ATOM 1064 CG HIS A 64 11.215 11.084 8.802 1.00 0.00 C ATOM 1065 ND1 HIS A 64 12.425 11.253 9.444 1.00 0.00 N ATOM 1066 CD2 HIS A 64 11.014 9.744 8.745 1.00 0.00 C ATOM 1067 CE1 HIS A 64 12.926 10.072 9.756 1.00 0.00 C ATOM 1068 NE2 HIS A 64 12.089 9.144 9.342 1.00 0.00 N ATOM 0 H HIS A 64 8.770 10.053 8.392 1.00 0.00 H new ATOM 0 HA HIS A 64 8.574 12.816 7.353 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.007 12.932 7.783 1.00 0.00 H new ATOM 0 HB3 HIS A 64 10.017 12.782 9.221 1.00 0.00 H new ATOM 0 HD2 HIS A 64 10.162 9.243 8.309 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.863 9.897 10.264 1.00 0.00 H new ATOM 0 HE2 HIS A 64 12.221 8.138 9.449 1.00 0.00 H new ATOM 1077 N HIS A 65 9.133 12.148 5.060 1.00 0.00 N ATOM 1078 CA HIS A 65 9.357 11.758 3.674 1.00 0.00 C ATOM 1079 C HIS A 65 10.796 12.068 3.264 1.00 0.00 C ATOM 1080 O HIS A 65 11.063 13.089 2.630 1.00 0.00 O ATOM 1081 CB HIS A 65 8.368 12.494 2.763 1.00 0.00 C ATOM 1082 CG HIS A 65 8.225 11.887 1.401 1.00 0.00 C ATOM 1083 ND1 HIS A 65 8.718 12.470 0.254 1.00 0.00 N ATOM 1084 CD2 HIS A 65 7.610 10.751 1.009 1.00 0.00 C ATOM 1085 CE1 HIS A 65 8.410 11.717 -0.786 1.00 0.00 C ATOM 1086 NE2 HIS A 65 7.739 10.667 -0.353 1.00 0.00 N ATOM 0 H HIS A 65 8.621 13.023 5.171 1.00 0.00 H new ATOM 0 HA HIS A 65 9.196 10.685 3.574 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.391 12.513 3.245 1.00 0.00 H new ATOM 0 HB3 HIS A 65 8.691 13.530 2.656 1.00 0.00 H new ATOM 0 HD2 HIS A 65 7.109 10.040 1.650 1.00 0.00 H new ATOM 0 HE1 HIS A 65 8.664 11.925 -1.815 1.00 0.00 H new ATOM 0 HE2 HIS A 65 7.375 9.914 -0.937 1.00 0.00 H new ATOM 1095 N HIS A 66 11.712 11.182 3.656 1.00 0.00 N ATOM 1096 CA HIS A 66 13.146 11.373 3.432 1.00 0.00 C ATOM 1097 C HIS A 66 13.616 12.712 3.982 1.00 0.00 C ATOM 1098 O HIS A 66 13.795 13.686 3.248 1.00 0.00 O ATOM 1099 CB HIS A 66 13.524 11.226 1.956 1.00 0.00 C ATOM 1100 CG HIS A 66 13.817 9.811 1.570 1.00 0.00 C ATOM 1101 ND1 HIS A 66 14.991 9.174 1.903 1.00 0.00 N ATOM 1102 CD2 HIS A 66 13.079 8.905 0.886 1.00 0.00 C ATOM 1103 CE1 HIS A 66 14.965 7.939 1.441 1.00 0.00 C ATOM 1104 NE2 HIS A 66 13.818 7.747 0.820 1.00 0.00 N ATOM 0 H HIS A 66 11.482 10.313 4.137 1.00 0.00 H new ATOM 0 HA HIS A 66 13.660 10.581 3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.710 11.605 1.338 1.00 0.00 H new ATOM 0 HB3 HIS A 66 14.398 11.843 1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 66 12.095 9.062 0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 66 15.752 7.207 1.553 1.00 0.00 H new ATOM 0 HE2 HIS A 66 13.527 6.882 0.365 1.00 0.00 H new ATOM 1113 N HIS A 67 13.800 12.742 5.289 1.00 0.00 N ATOM 1114 CA HIS A 67 14.196 13.947 5.989 1.00 0.00 C ATOM 1115 C HIS A 67 15.075 13.572 7.173 1.00 0.00 C ATOM 1116 O HIS A 67 14.705 12.725 7.981 1.00 0.00 O ATOM 1117 CB HIS A 67 12.948 14.715 6.451 1.00 0.00 C ATOM 1118 CG HIS A 67 13.230 15.889 7.342 1.00 0.00 C ATOM 1119 ND1 HIS A 67 13.681 17.104 6.876 1.00 0.00 N ATOM 1120 CD2 HIS A 67 13.112 16.025 8.682 1.00 0.00 C ATOM 1121 CE1 HIS A 67 13.830 17.933 7.892 1.00 0.00 C ATOM 1122 NE2 HIS A 67 13.490 17.302 8.999 1.00 0.00 N ATOM 0 H HIS A 67 13.679 11.930 5.894 1.00 0.00 H new ATOM 0 HA HIS A 67 14.765 14.595 5.322 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.407 15.065 5.572 1.00 0.00 H new ATOM 0 HB3 HIS A 67 12.288 14.026 6.978 1.00 0.00 H new ATOM 0 HD2 HIS A 67 12.780 15.266 9.375 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.172 18.955 7.828 1.00 0.00 H new ATOM 0 HE2 HIS A 67 13.506 17.700 9.938 1.00 0.00 H new ATOM 1131 N HIS A 68 16.246 14.179 7.252 1.00 0.00 N ATOM 1132 CA HIS A 68 17.153 13.922 8.359 1.00 0.00 C ATOM 1133 C HIS A 68 16.904 14.938 9.463 1.00 0.00 C ATOM 1134 O HIS A 68 17.462 16.049 9.383 1.00 0.00 O ATOM 1135 CB HIS A 68 18.608 13.984 7.882 1.00 0.00 C ATOM 1136 CG HIS A 68 19.603 13.543 8.912 1.00 0.00 C ATOM 1137 ND1 HIS A 68 20.286 14.418 9.726 1.00 0.00 N ATOM 1138 CD2 HIS A 68 20.034 12.305 9.250 1.00 0.00 C ATOM 1139 CE1 HIS A 68 21.095 13.740 10.519 1.00 0.00 C ATOM 1140 NE2 HIS A 68 20.961 12.454 10.251 1.00 0.00 N ATOM 1141 OXT HIS A 68 16.131 14.631 10.394 1.00 0.00 O ATOM 0 H HIS A 68 16.591 14.851 6.566 1.00 0.00 H new ATOM 0 HA HIS A 68 16.970 12.921 8.751 1.00 0.00 H new ATOM 0 HB2 HIS A 68 18.716 13.360 6.995 1.00 0.00 H new ATOM 0 HB3 HIS A 68 18.839 15.006 7.582 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.709 11.373 8.813 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.755 14.165 11.261 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.464 11.696 10.712 1.00 0.00 H new TER 1150 HIS A 68