USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -76:sc= 1.13 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0435 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.000265) USER MOD Single : A 1 MET N :NH3+ 177:sc= 0.683 (180deg=0.678) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.97!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0.174) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -43:sc= 0.735 USER MOD Single : A 20 SER OG : rot 57:sc= 0.227 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.94 (180deg=0.935) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 1.05 (180deg=1.03) USER MOD Single : A 40 GLN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.264 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -103:sc= 0.757 (180deg=-1.34!) USER MOD Single : A 65 SER OG : rot 178:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0937 K(o=-0.094,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.435 30.437 16.236 1.00 0.00 N ATOM 2 CA MET A 1 13.506 30.764 17.668 1.00 0.00 C ATOM 3 C MET A 1 14.846 31.428 17.975 1.00 0.00 C ATOM 4 O MET A 1 15.813 31.120 17.280 1.00 0.00 O ATOM 5 CB MET A 1 13.065 29.653 18.628 1.00 0.00 C ATOM 6 CG MET A 1 13.996 28.464 18.851 1.00 0.00 C ATOM 7 SD MET A 1 13.160 27.008 19.548 1.00 0.00 S ATOM 8 CE MET A 1 14.727 26.157 19.859 1.00 0.00 C ATOM 0 H1 MET A 1 12.544 29.939 16.037 1.00 0.00 H new ATOM 0 H2 MET A 1 13.474 31.313 15.677 1.00 0.00 H new ATOM 0 H3 MET A 1 14.237 29.827 15.979 1.00 0.00 H new ATOM 0 HA MET A 1 12.729 31.499 17.878 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.876 30.111 19.599 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.113 29.264 18.268 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.455 28.189 17.901 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.802 28.765 19.520 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.529 25.176 20.292 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.268 26.037 18.921 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.329 26.745 20.552 1.00 0.00 H new ATOM 20 N GLN A 2 14.931 32.325 18.961 1.00 0.00 N ATOM 21 CA GLN A 2 16.197 32.735 19.529 1.00 0.00 C ATOM 22 C GLN A 2 16.725 31.707 20.525 1.00 0.00 C ATOM 23 O GLN A 2 15.877 30.966 21.031 1.00 0.00 O ATOM 24 CB GLN A 2 15.886 34.068 20.223 1.00 0.00 C ATOM 25 CG GLN A 2 16.115 35.218 19.240 1.00 0.00 C ATOM 26 CD GLN A 2 15.371 36.472 19.683 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.038 36.588 20.864 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.092 37.460 18.839 1.00 0.00 N ATOM 0 H GLN A 2 14.120 32.781 19.380 1.00 0.00 H new ATOM 0 HA GLN A 2 16.975 32.829 18.771 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.854 34.076 20.575 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.522 34.192 21.099 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.181 35.431 19.166 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.779 34.924 18.246 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.359 37.383 17.858 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.611 38.295 19.173 1.00 0.00 H new ATOM 37 N ILE A 3 18.037 31.622 20.728 1.00 0.00 N ATOM 38 CA ILE A 3 18.757 30.975 21.801 1.00 0.00 C ATOM 39 C ILE A 3 19.812 32.009 22.214 1.00 0.00 C ATOM 40 O ILE A 3 19.951 33.091 21.646 1.00 0.00 O ATOM 41 CB ILE A 3 19.149 29.550 21.434 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.219 29.438 20.339 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.985 28.591 21.156 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.848 28.095 19.983 1.00 0.00 C ATOM 0 H ILE A 3 18.684 32.054 20.068 1.00 0.00 H new ATOM 0 HA ILE A 3 18.192 30.740 22.703 1.00 0.00 H new ATOM 0 HB ILE A 3 19.604 29.212 22.365 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.781 29.837 19.424 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.033 30.106 20.620 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.377 27.606 20.905 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.356 28.516 22.043 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.393 28.969 20.322 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.579 28.235 19.186 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.344 27.681 20.861 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.072 27.408 19.647 1.00 0.00 H new ATOM 56 N PHE A 4 20.668 31.639 23.174 1.00 0.00 N ATOM 57 CA PHE A 4 21.859 32.321 23.635 1.00 0.00 C ATOM 58 C PHE A 4 22.861 31.198 23.915 1.00 0.00 C ATOM 59 O PHE A 4 22.495 30.100 24.347 1.00 0.00 O ATOM 60 CB PHE A 4 21.606 33.126 24.919 1.00 0.00 C ATOM 61 CG PHE A 4 20.607 34.253 24.803 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.094 35.518 24.464 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.247 34.173 25.132 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.242 36.627 24.483 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.465 35.322 25.326 1.00 0.00 C ATOM 66 CZ PHE A 4 18.909 36.581 24.921 1.00 0.00 C ATOM 0 H PHE A 4 20.520 30.771 23.689 1.00 0.00 H new ATOM 0 HA PHE A 4 22.211 33.040 22.895 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.263 32.440 25.694 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.555 33.541 25.258 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.131 35.640 24.187 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.789 33.201 25.239 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.632 37.574 24.141 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.499 35.230 25.799 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.275 37.455 24.943 1.00 0.00 H new ATOM 76 N VAL A 5 24.094 31.477 23.530 1.00 0.00 N ATOM 77 CA VAL A 5 25.318 30.710 23.618 1.00 0.00 C ATOM 78 C VAL A 5 26.202 31.636 24.465 1.00 0.00 C ATOM 79 O VAL A 5 26.700 32.680 24.050 1.00 0.00 O ATOM 80 CB VAL A 5 25.783 30.523 22.179 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.213 29.984 22.100 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.882 29.544 21.423 1.00 0.00 C ATOM 0 H VAL A 5 24.281 32.376 23.086 1.00 0.00 H new ATOM 0 HA VAL A 5 25.283 29.716 24.064 1.00 0.00 H new ATOM 0 HB VAL A 5 25.737 31.513 21.725 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.501 29.867 21.055 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.893 30.683 22.587 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.266 29.017 22.601 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.242 29.434 20.400 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.900 28.574 21.921 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.861 29.926 21.409 1.00 0.00 H new ATOM 92 N LYS A 6 26.420 31.178 25.696 1.00 0.00 N ATOM 93 CA LYS A 6 27.365 31.721 26.651 1.00 0.00 C ATOM 94 C LYS A 6 28.638 30.958 26.271 1.00 0.00 C ATOM 95 O LYS A 6 28.590 29.735 26.345 1.00 0.00 O ATOM 96 CB LYS A 6 26.896 31.455 28.080 1.00 0.00 C ATOM 97 CG LYS A 6 27.794 31.998 29.194 1.00 0.00 C ATOM 98 CD LYS A 6 27.212 31.688 30.578 1.00 0.00 C ATOM 99 CE LYS A 6 28.068 32.226 31.719 1.00 0.00 C ATOM 100 NZ LYS A 6 27.301 32.043 32.962 1.00 0.00 N ATOM 0 H LYS A 6 25.912 30.375 26.067 1.00 0.00 H new ATOM 0 HA LYS A 6 27.498 32.803 26.622 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.902 31.885 28.201 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.796 30.378 28.214 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.788 31.560 29.109 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.909 33.076 29.078 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.212 32.115 30.649 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.106 30.609 30.688 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.018 31.694 31.771 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.301 33.279 31.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.854 32.400 33.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.405 32.568 32.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.101 31.032 33.101 1.00 0.00 H new ATOM 114 N THR A 7 29.757 31.596 25.911 1.00 0.00 N ATOM 115 CA THR A 7 31.111 31.083 25.869 1.00 0.00 C ATOM 116 C THR A 7 31.616 30.743 27.274 1.00 0.00 C ATOM 117 O THR A 7 31.117 31.247 28.283 1.00 0.00 O ATOM 118 CB THR A 7 32.040 32.043 25.131 1.00 0.00 C ATOM 119 OG1 THR A 7 32.054 33.243 25.871 1.00 0.00 O ATOM 120 CG2 THR A 7 31.562 32.326 23.700 1.00 0.00 C ATOM 0 H THR A 7 29.724 32.572 25.617 1.00 0.00 H new ATOM 0 HA THR A 7 31.106 30.152 25.303 1.00 0.00 H new ATOM 0 HB THR A 7 33.032 31.600 25.048 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.220 33.733 25.715 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.254 33.014 23.214 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.524 31.393 23.138 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.568 32.773 23.730 1.00 0.00 H new ATOM 128 N LEU A 8 32.647 29.908 27.312 1.00 0.00 N ATOM 129 CA LEU A 8 33.341 29.599 28.538 1.00 0.00 C ATOM 130 C LEU A 8 33.717 30.718 29.512 1.00 0.00 C ATOM 131 O LEU A 8 33.673 30.472 30.719 1.00 0.00 O ATOM 132 CB LEU A 8 34.600 28.787 28.218 1.00 0.00 C ATOM 133 CG LEU A 8 35.543 28.179 29.247 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.901 26.706 29.040 1.00 0.00 C ATOM 135 CD2 LEU A 8 36.840 28.975 29.410 1.00 0.00 C ATOM 0 H LEU A 8 33.019 29.431 26.491 1.00 0.00 H new ATOM 0 HA LEU A 8 32.574 29.056 29.090 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.268 27.958 27.593 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.218 29.431 27.592 1.00 0.00 H new ATOM 0 HG LEU A 8 34.946 28.235 30.157 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.577 26.381 29.831 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.993 26.103 29.068 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.388 26.582 28.073 1.00 0.00 H new ATOM 0 HD21 LEU A 8 37.471 28.493 30.156 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.367 29.010 28.457 1.00 0.00 H new ATOM 0 HD23 LEU A 8 36.606 29.989 29.733 1.00 0.00 H new ATOM 147 N THR A 9 34.160 31.897 29.062 1.00 0.00 N ATOM 148 CA THR A 9 34.625 33.013 29.862 1.00 0.00 C ATOM 149 C THR A 9 33.486 33.977 30.206 1.00 0.00 C ATOM 150 O THR A 9 33.712 34.889 30.999 1.00 0.00 O ATOM 151 CB THR A 9 35.722 33.693 29.027 1.00 0.00 C ATOM 152 OG1 THR A 9 35.353 33.972 27.702 1.00 0.00 O ATOM 153 CG2 THR A 9 36.926 32.787 28.803 1.00 0.00 C ATOM 0 H THR A 9 34.202 32.100 28.063 1.00 0.00 H new ATOM 0 HA THR A 9 35.013 32.679 30.824 1.00 0.00 H new ATOM 0 HB THR A 9 35.921 34.590 29.613 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.100 34.404 27.238 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.672 33.314 28.208 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.358 32.511 29.765 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.611 31.887 28.275 1.00 0.00 H new ATOM 161 N GLY A 10 32.311 33.807 29.598 1.00 0.00 N ATOM 162 CA GLY A 10 31.081 34.439 30.031 1.00 0.00 C ATOM 163 C GLY A 10 30.560 35.428 28.993 1.00 0.00 C ATOM 164 O GLY A 10 29.630 36.183 29.282 1.00 0.00 O ATOM 0 H GLY A 10 32.194 33.214 28.777 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.326 33.676 30.218 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.251 34.957 30.975 1.00 0.00 H new ATOM 168 N LYS A 11 31.185 35.458 27.827 1.00 0.00 N ATOM 169 CA LYS A 11 30.695 36.238 26.713 1.00 0.00 C ATOM 170 C LYS A 11 29.504 35.501 26.088 1.00 0.00 C ATOM 171 O LYS A 11 29.592 34.311 25.811 1.00 0.00 O ATOM 172 CB LYS A 11 31.742 36.486 25.633 1.00 0.00 C ATOM 173 CG LYS A 11 31.545 37.801 24.874 1.00 0.00 C ATOM 174 CD LYS A 11 32.474 37.886 23.671 1.00 0.00 C ATOM 175 CE LYS A 11 32.806 39.272 23.113 1.00 0.00 C ATOM 176 NZ LYS A 11 33.533 39.150 21.836 1.00 0.00 N ATOM 0 H LYS A 11 32.043 34.943 27.631 1.00 0.00 H new ATOM 0 HA LYS A 11 30.411 37.214 27.106 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.731 36.486 26.092 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.720 35.660 24.922 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.509 37.882 24.544 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.733 38.641 25.542 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.413 37.401 23.940 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.031 37.300 22.866 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.888 39.841 22.964 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.410 39.825 23.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.333 39.980 21.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.555 39.096 22.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.225 38.288 21.342 1.00 0.00 H new ATOM 190 N THR A 12 28.416 36.237 25.878 1.00 0.00 N ATOM 191 CA THR A 12 27.121 35.787 25.418 1.00 0.00 C ATOM 192 C THR A 12 26.932 36.396 24.025 1.00 0.00 C ATOM 193 O THR A 12 27.200 37.584 23.892 1.00 0.00 O ATOM 194 CB THR A 12 26.002 36.071 26.409 1.00 0.00 C ATOM 195 OG1 THR A 12 26.339 35.565 27.685 1.00 0.00 O ATOM 196 CG2 THR A 12 24.857 35.134 26.037 1.00 0.00 C ATOM 0 H THR A 12 28.426 37.244 26.041 1.00 0.00 H new ATOM 0 HA THR A 12 27.076 34.700 25.345 1.00 0.00 H new ATOM 0 HB THR A 12 25.796 37.141 26.402 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.612 35.755 28.315 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.021 35.293 26.718 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.537 35.338 25.015 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.194 34.100 26.112 1.00 0.00 H new ATOM 204 N ILE A 13 26.239 35.632 23.187 1.00 0.00 N ATOM 205 CA ILE A 13 25.776 35.978 21.857 1.00 0.00 C ATOM 206 C ILE A 13 24.420 35.305 21.704 1.00 0.00 C ATOM 207 O ILE A 13 24.199 34.279 22.353 1.00 0.00 O ATOM 208 CB ILE A 13 26.835 35.590 20.819 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.507 34.241 21.096 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.914 36.648 20.613 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.318 33.638 19.950 1.00 0.00 C ATOM 0 H ILE A 13 25.968 34.683 23.444 1.00 0.00 H new ATOM 0 HA ILE A 13 25.640 37.048 21.697 1.00 0.00 H new ATOM 0 HB ILE A 13 26.256 35.505 19.899 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.166 34.358 21.956 1.00 0.00 H new ATOM 0 HG13 ILE A 13 26.735 33.527 21.381 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.626 36.301 19.864 1.00 0.00 H new ATOM 0 HG22 ILE A 13 27.454 37.576 20.273 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.434 36.825 21.554 1.00 0.00 H new ATOM 0 HD11 ILE A 13 28.743 32.686 20.267 1.00 0.00 H new ATOM 0 HD12 ILE A 13 27.668 33.477 19.090 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.122 34.321 19.674 1.00 0.00 H new ATOM 223 N THR A 14 23.476 35.905 20.974 1.00 0.00 N ATOM 224 CA THR A 14 22.206 35.391 20.499 1.00 0.00 C ATOM 225 C THR A 14 22.529 34.756 19.137 1.00 0.00 C ATOM 226 O THR A 14 23.095 35.431 18.272 1.00 0.00 O ATOM 227 CB THR A 14 21.321 36.618 20.304 1.00 0.00 C ATOM 228 OG1 THR A 14 21.133 37.197 21.570 1.00 0.00 O ATOM 229 CG2 THR A 14 19.869 36.209 20.063 1.00 0.00 C ATOM 0 H THR A 14 23.607 36.871 20.673 1.00 0.00 H new ATOM 0 HA THR A 14 21.719 34.673 21.159 1.00 0.00 H new ATOM 0 HB THR A 14 21.778 37.216 19.515 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.961 36.493 22.230 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.258 37.101 19.927 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.809 35.588 19.169 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.503 35.645 20.921 1.00 0.00 H new ATOM 237 N LEU A 15 22.061 33.540 18.882 1.00 0.00 N ATOM 238 CA LEU A 15 21.747 33.007 17.578 1.00 0.00 C ATOM 239 C LEU A 15 20.229 32.881 17.425 1.00 0.00 C ATOM 240 O LEU A 15 19.548 32.483 18.363 1.00 0.00 O ATOM 241 CB LEU A 15 22.287 31.576 17.538 1.00 0.00 C ATOM 242 CG LEU A 15 23.803 31.447 17.744 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.181 29.985 17.537 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.634 32.283 16.774 1.00 0.00 C ATOM 0 H LEU A 15 21.883 32.868 19.628 1.00 0.00 H new ATOM 0 HA LEU A 15 22.166 33.652 16.805 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.780 30.991 18.306 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.027 31.133 16.577 1.00 0.00 H new ATOM 0 HG LEU A 15 24.019 31.810 18.749 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.255 29.863 17.677 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.648 29.366 18.259 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.910 29.679 16.527 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.694 32.138 16.984 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.421 31.973 15.751 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.382 33.337 16.893 1.00 0.00 H new ATOM 256 N GLU A 16 19.856 32.956 16.152 1.00 0.00 N ATOM 257 CA GLU A 16 18.564 32.574 15.626 1.00 0.00 C ATOM 258 C GLU A 16 18.628 31.218 14.908 1.00 0.00 C ATOM 259 O GLU A 16 19.398 31.135 13.957 1.00 0.00 O ATOM 260 CB GLU A 16 17.975 33.704 14.777 1.00 0.00 C ATOM 261 CG GLU A 16 16.444 33.655 14.802 1.00 0.00 C ATOM 262 CD GLU A 16 15.872 34.928 14.193 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.154 35.306 13.037 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.983 35.534 14.836 1.00 0.00 O ATOM 0 H GLU A 16 20.484 33.304 15.427 1.00 0.00 H new ATOM 0 HA GLU A 16 17.872 32.424 16.454 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.320 34.667 15.154 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.330 33.618 13.750 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.091 32.786 14.247 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.092 33.543 15.828 1.00 0.00 H new ATOM 271 N VAL A 17 18.006 30.176 15.452 1.00 0.00 N ATOM 272 CA VAL A 17 18.056 28.815 14.959 1.00 0.00 C ATOM 273 C VAL A 17 16.617 28.383 14.705 1.00 0.00 C ATOM 274 O VAL A 17 15.747 28.681 15.527 1.00 0.00 O ATOM 275 CB VAL A 17 18.702 27.840 15.948 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.159 28.248 16.138 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.110 27.665 17.343 1.00 0.00 C ATOM 0 H VAL A 17 17.428 30.269 16.287 1.00 0.00 H new ATOM 0 HA VAL A 17 18.669 28.793 14.058 1.00 0.00 H new ATOM 0 HB VAL A 17 18.524 26.877 15.468 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.639 27.566 16.840 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.676 28.206 15.180 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.204 29.264 16.531 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.699 26.936 17.899 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.125 28.620 17.867 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.082 27.313 17.260 1.00 0.00 H new ATOM 287 N GLU A 18 16.268 27.673 13.629 1.00 0.00 N ATOM 288 CA GLU A 18 15.089 26.839 13.704 1.00 0.00 C ATOM 289 C GLU A 18 15.414 25.561 14.470 1.00 0.00 C ATOM 290 O GLU A 18 16.544 25.088 14.517 1.00 0.00 O ATOM 291 CB GLU A 18 14.553 26.456 12.322 1.00 0.00 C ATOM 292 CG GLU A 18 13.966 27.617 11.528 1.00 0.00 C ATOM 293 CD GLU A 18 12.591 28.012 12.024 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.067 27.352 12.953 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.091 29.109 11.686 1.00 0.00 O ATOM 0 H GLU A 18 16.765 27.662 12.738 1.00 0.00 H new ATOM 0 HA GLU A 18 14.321 27.418 14.216 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.362 26.009 11.744 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.786 25.691 12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.635 28.475 11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.905 27.341 10.475 1.00 0.00 H new ATOM 302 N PRO A 19 14.471 24.991 15.218 1.00 0.00 N ATOM 303 CA PRO A 19 14.749 23.850 16.063 1.00 0.00 C ATOM 304 C PRO A 19 15.243 22.548 15.436 1.00 0.00 C ATOM 305 O PRO A 19 15.987 21.784 16.053 1.00 0.00 O ATOM 306 CB PRO A 19 13.435 23.411 16.719 1.00 0.00 C ATOM 307 CG PRO A 19 12.644 24.725 16.630 1.00 0.00 C ATOM 308 CD PRO A 19 13.132 25.505 15.405 1.00 0.00 C ATOM 0 HA PRO A 19 15.552 24.238 16.690 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.952 22.596 16.180 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.573 23.076 17.747 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.577 24.520 16.548 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.786 25.315 17.536 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.503 25.325 14.533 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.131 26.580 15.582 1.00 0.00 H new ATOM 316 N SER A 20 14.945 22.407 14.145 1.00 0.00 N ATOM 317 CA SER A 20 15.256 21.368 13.195 1.00 0.00 C ATOM 318 C SER A 20 16.669 21.511 12.622 1.00 0.00 C ATOM 319 O SER A 20 17.238 20.614 12.012 1.00 0.00 O ATOM 320 CB SER A 20 14.176 21.616 12.131 1.00 0.00 C ATOM 321 OG SER A 20 13.644 22.906 11.986 1.00 0.00 O ATOM 0 H SER A 20 14.398 23.136 13.687 1.00 0.00 H new ATOM 0 HA SER A 20 15.252 20.362 13.615 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.591 21.322 11.167 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.347 20.940 12.341 1.00 0.00 H new ATOM 0 HG SER A 20 14.369 23.540 11.805 1.00 0.00 H new ATOM 327 N ASP A 21 17.304 22.655 12.850 1.00 0.00 N ATOM 328 CA ASP A 21 18.580 22.978 12.234 1.00 0.00 C ATOM 329 C ASP A 21 19.644 22.117 12.919 1.00 0.00 C ATOM 330 O ASP A 21 19.742 22.185 14.140 1.00 0.00 O ATOM 331 CB ASP A 21 19.036 24.415 12.473 1.00 0.00 C ATOM 332 CG ASP A 21 18.315 25.577 11.797 1.00 0.00 C ATOM 333 OD1 ASP A 21 17.656 25.219 10.796 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.519 26.750 12.184 1.00 0.00 O ATOM 0 H ASP A 21 16.946 23.383 13.468 1.00 0.00 H new ATOM 0 HA ASP A 21 18.459 22.815 11.163 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.994 24.592 13.548 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.085 24.473 12.181 1.00 0.00 H new ATOM 339 N THR A 22 20.382 21.241 12.232 1.00 0.00 N ATOM 340 CA THR A 22 21.228 20.213 12.793 1.00 0.00 C ATOM 341 C THR A 22 22.358 20.938 13.516 1.00 0.00 C ATOM 342 O THR A 22 22.551 22.142 13.329 1.00 0.00 O ATOM 343 CB THR A 22 21.733 19.405 11.601 1.00 0.00 C ATOM 344 OG1 THR A 22 22.233 20.109 10.496 1.00 0.00 O ATOM 345 CG2 THR A 22 20.644 18.477 11.069 1.00 0.00 C ATOM 0 H THR A 22 20.398 21.240 11.212 1.00 0.00 H new ATOM 0 HA THR A 22 20.734 19.545 13.499 1.00 0.00 H new ATOM 0 HB THR A 22 22.583 18.882 12.040 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.523 19.474 9.808 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.030 17.913 10.220 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.338 17.786 11.855 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.785 19.068 10.752 1.00 0.00 H new ATOM 353 N ILE A 23 23.130 20.215 14.322 1.00 0.00 N ATOM 354 CA ILE A 23 24.223 20.750 15.122 1.00 0.00 C ATOM 355 C ILE A 23 25.293 21.551 14.382 1.00 0.00 C ATOM 356 O ILE A 23 25.792 22.535 14.936 1.00 0.00 O ATOM 357 CB ILE A 23 24.820 19.689 16.050 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.792 18.851 16.802 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.707 20.234 17.173 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.525 19.473 17.387 1.00 0.00 C ATOM 0 H ILE A 23 23.007 19.209 14.439 1.00 0.00 H new ATOM 0 HA ILE A 23 23.739 21.514 15.731 1.00 0.00 H new ATOM 0 HB ILE A 23 25.387 19.105 15.325 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.472 18.060 16.124 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.318 18.370 17.627 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.082 19.406 17.775 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.547 20.778 16.741 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.124 20.906 17.803 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.934 18.700 17.879 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.798 20.239 18.113 1.00 0.00 H new ATOM 0 HD13 ILE A 23 21.938 19.924 16.587 1.00 0.00 H new ATOM 372 N GLU A 24 25.637 21.123 13.175 1.00 0.00 N ATOM 373 CA GLU A 24 26.710 21.726 12.416 1.00 0.00 C ATOM 374 C GLU A 24 26.352 23.128 11.897 1.00 0.00 C ATOM 375 O GLU A 24 27.193 24.008 11.762 1.00 0.00 O ATOM 376 CB GLU A 24 26.943 20.858 11.174 1.00 0.00 C ATOM 377 CG GLU A 24 27.453 19.423 11.317 1.00 0.00 C ATOM 378 CD GLU A 24 26.402 18.325 11.379 1.00 0.00 C ATOM 379 OE1 GLU A 24 25.393 18.394 12.110 1.00 0.00 O ATOM 380 OE2 GLU A 24 26.723 17.323 10.700 1.00 0.00 O ATOM 0 H GLU A 24 25.176 20.347 12.699 1.00 0.00 H new ATOM 0 HA GLU A 24 27.577 21.801 13.072 1.00 0.00 H new ATOM 0 HB2 GLU A 24 25.999 20.812 10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.651 21.389 10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.115 19.212 10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.058 19.366 12.222 1.00 0.00 H new ATOM 387 N ASN A 25 25.046 23.284 11.690 1.00 0.00 N ATOM 388 CA ASN A 25 24.394 24.515 11.285 1.00 0.00 C ATOM 389 C ASN A 25 24.490 25.612 12.344 1.00 0.00 C ATOM 390 O ASN A 25 24.319 26.716 11.837 1.00 0.00 O ATOM 391 CB ASN A 25 22.934 24.258 10.940 1.00 0.00 C ATOM 392 CG ASN A 25 22.270 25.063 9.831 1.00 0.00 C ATOM 393 OD1 ASN A 25 21.539 26.012 10.134 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.406 24.688 8.568 1.00 0.00 N ATOM 0 H ASN A 25 24.387 22.514 11.807 1.00 0.00 H new ATOM 0 HA ASN A 25 24.924 24.870 10.401 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.842 23.204 10.678 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.352 24.413 11.849 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.904 25.184 7.832 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.013 23.903 8.332 1.00 0.00 H new ATOM 401 N VAL A 26 24.703 25.328 13.621 1.00 0.00 N ATOM 402 CA VAL A 26 24.874 26.192 14.777 1.00 0.00 C ATOM 403 C VAL A 26 26.328 26.660 14.862 1.00 0.00 C ATOM 404 O VAL A 26 26.570 27.868 14.876 1.00 0.00 O ATOM 405 CB VAL A 26 24.637 25.356 16.034 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.557 26.328 17.210 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.414 24.438 16.008 1.00 0.00 C ATOM 0 H VAL A 26 24.768 24.351 13.906 1.00 0.00 H new ATOM 0 HA VAL A 26 24.189 27.036 14.693 1.00 0.00 H new ATOM 0 HB VAL A 26 25.471 24.659 16.118 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.388 25.771 18.132 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.492 26.883 17.288 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.734 27.025 17.051 1.00 0.00 H new ATOM 0 HG21 VAL A 26 23.347 23.895 16.951 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.513 25.036 15.868 1.00 0.00 H new ATOM 0 HG23 VAL A 26 23.509 23.728 15.186 1.00 0.00 H new ATOM 417 N LYS A 27 27.314 25.778 14.689 1.00 0.00 N ATOM 418 CA LYS A 27 28.725 26.124 14.783 1.00 0.00 C ATOM 419 C LYS A 27 29.243 26.886 13.566 1.00 0.00 C ATOM 420 O LYS A 27 30.180 27.684 13.603 1.00 0.00 O ATOM 421 CB LYS A 27 29.558 24.935 15.262 1.00 0.00 C ATOM 422 CG LYS A 27 29.208 23.584 14.638 1.00 0.00 C ATOM 423 CD LYS A 27 29.971 22.428 15.287 1.00 0.00 C ATOM 424 CE LYS A 27 29.649 21.056 14.702 1.00 0.00 C ATOM 425 NZ LYS A 27 30.412 19.919 15.244 1.00 0.00 N ATOM 0 H LYS A 27 27.149 24.794 14.478 1.00 0.00 H new ATOM 0 HA LYS A 27 28.847 26.866 15.572 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.608 25.146 15.060 1.00 0.00 H new ATOM 0 HB3 LYS A 27 29.452 24.853 16.344 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.137 23.409 14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.432 23.610 13.572 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.041 22.611 15.185 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.750 22.416 16.354 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.588 20.860 14.855 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.814 21.096 13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.958 19.028 14.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.384 19.946 14.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.434 19.979 16.282 1.00 0.00 H new ATOM 439 N ALA A 28 28.546 26.698 12.453 1.00 0.00 N ATOM 440 CA ALA A 28 28.784 27.266 11.140 1.00 0.00 C ATOM 441 C ALA A 28 28.499 28.764 11.206 1.00 0.00 C ATOM 442 O ALA A 28 29.150 29.508 10.460 1.00 0.00 O ATOM 443 CB ALA A 28 27.874 26.642 10.082 1.00 0.00 C ATOM 0 H ALA A 28 27.728 26.089 12.450 1.00 0.00 H new ATOM 0 HA ALA A 28 29.818 27.067 10.860 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.082 27.093 9.112 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.059 25.569 10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.832 26.818 10.349 1.00 0.00 H new ATOM 449 N LYS A 29 27.516 29.098 12.028 1.00 0.00 N ATOM 450 CA LYS A 29 27.147 30.471 12.296 1.00 0.00 C ATOM 451 C LYS A 29 28.236 31.068 13.195 1.00 0.00 C ATOM 452 O LYS A 29 28.738 32.159 12.904 1.00 0.00 O ATOM 453 CB LYS A 29 25.757 30.507 12.936 1.00 0.00 C ATOM 454 CG LYS A 29 24.641 30.253 11.922 1.00 0.00 C ATOM 455 CD LYS A 29 23.216 30.408 12.451 1.00 0.00 C ATOM 456 CE LYS A 29 22.246 30.973 11.418 1.00 0.00 C ATOM 457 NZ LYS A 29 20.857 30.513 11.555 1.00 0.00 N ATOM 0 H LYS A 29 26.950 28.414 12.530 1.00 0.00 H new ATOM 0 HA LYS A 29 27.083 31.067 11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.704 29.757 13.726 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.602 31.478 13.407 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.774 30.937 11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.755 29.243 11.530 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.853 29.437 12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.229 31.062 13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.261 32.061 11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.604 30.709 10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.279 30.921 10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.827 29.475 11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.480 30.817 12.475 1.00 0.00 H new ATOM 471 N ILE A 30 28.518 30.414 14.310 1.00 0.00 N ATOM 472 CA ILE A 30 29.498 30.784 15.315 1.00 0.00 C ATOM 473 C ILE A 30 30.825 31.373 14.835 1.00 0.00 C ATOM 474 O ILE A 30 31.300 32.455 15.181 1.00 0.00 O ATOM 475 CB ILE A 30 29.557 29.768 16.448 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.279 29.622 17.274 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.807 29.877 17.334 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.071 28.372 18.115 1.00 0.00 C ATOM 0 H ILE A 30 28.033 29.550 14.552 1.00 0.00 H new ATOM 0 HA ILE A 30 29.104 31.697 15.761 1.00 0.00 H new ATOM 0 HB ILE A 30 29.646 28.829 15.902 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.223 30.480 17.944 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.436 29.698 16.588 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.767 29.117 18.114 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.699 29.726 16.725 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.843 30.866 17.792 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.114 28.437 18.633 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.075 27.494 17.469 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.875 28.288 18.847 1.00 0.00 H new ATOM 490 N GLN A 31 31.494 30.638 13.957 1.00 0.00 N ATOM 491 CA GLN A 31 32.776 30.978 13.369 1.00 0.00 C ATOM 492 C GLN A 31 32.800 32.209 12.468 1.00 0.00 C ATOM 493 O GLN A 31 33.889 32.755 12.257 1.00 0.00 O ATOM 494 CB GLN A 31 33.232 29.752 12.577 1.00 0.00 C ATOM 495 CG GLN A 31 32.343 29.320 11.411 1.00 0.00 C ATOM 496 CD GLN A 31 33.040 28.601 10.265 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.446 27.444 10.388 1.00 0.00 O ATOM 498 NE2 GLN A 31 33.252 29.197 9.086 1.00 0.00 N ATOM 0 H GLN A 31 31.136 29.744 13.621 1.00 0.00 H new ATOM 0 HA GLN A 31 33.441 31.246 14.190 1.00 0.00 H new ATOM 0 HB2 GLN A 31 34.231 29.950 12.188 1.00 0.00 H new ATOM 0 HB3 GLN A 31 33.319 28.913 13.268 1.00 0.00 H new ATOM 0 HG2 GLN A 31 31.561 28.668 11.800 1.00 0.00 H new ATOM 0 HG3 GLN A 31 31.849 30.205 11.010 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.935 30.154 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.731 28.694 8.339 1.00 0.00 H new ATOM 507 N ASP A 32 31.694 32.686 11.910 1.00 0.00 N ATOM 508 CA ASP A 32 31.657 33.900 11.129 1.00 0.00 C ATOM 509 C ASP A 32 31.358 35.055 12.087 1.00 0.00 C ATOM 510 O ASP A 32 31.721 36.183 11.752 1.00 0.00 O ATOM 511 CB ASP A 32 30.439 33.817 10.211 1.00 0.00 C ATOM 512 CG ASP A 32 30.132 34.901 9.199 1.00 0.00 C ATOM 513 OD1 ASP A 32 31.029 35.186 8.371 1.00 0.00 O ATOM 514 OD2 ASP A 32 28.963 35.323 9.066 1.00 0.00 O ATOM 0 H ASP A 32 30.787 32.227 11.993 1.00 0.00 H new ATOM 0 HA ASP A 32 32.590 34.035 10.583 1.00 0.00 H new ATOM 0 HB2 ASP A 32 30.524 32.882 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 32 29.564 33.728 10.854 1.00 0.00 H new ATOM 519 N LYS A 33 30.716 34.824 13.231 1.00 0.00 N ATOM 520 CA LYS A 33 30.086 35.829 14.069 1.00 0.00 C ATOM 521 C LYS A 33 31.075 36.181 15.182 1.00 0.00 C ATOM 522 O LYS A 33 31.365 37.377 15.225 1.00 0.00 O ATOM 523 CB LYS A 33 28.741 35.318 14.582 1.00 0.00 C ATOM 524 CG LYS A 33 27.660 35.678 13.567 1.00 0.00 C ATOM 525 CD LYS A 33 27.795 35.377 12.073 1.00 0.00 C ATOM 526 CE LYS A 33 26.579 35.960 11.356 1.00 0.00 C ATOM 527 NZ LYS A 33 26.563 35.470 9.965 1.00 0.00 N ATOM 0 H LYS A 33 30.619 33.883 13.613 1.00 0.00 H new ATOM 0 HA LYS A 33 29.858 36.739 13.514 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.778 34.238 14.728 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.513 35.763 15.551 1.00 0.00 H new ATOM 0 HG2 LYS A 33 26.745 35.189 13.901 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.497 36.752 13.654 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.713 35.813 11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.855 34.302 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.663 35.667 11.869 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.619 37.049 11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.843 35.989 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 27.497 35.621 9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.338 34.455 9.957 1.00 0.00 H new ATOM 541 N GLU A 34 31.639 35.218 15.901 1.00 0.00 N ATOM 542 CA GLU A 34 32.587 35.489 16.975 1.00 0.00 C ATOM 543 C GLU A 34 33.844 34.644 16.785 1.00 0.00 C ATOM 544 O GLU A 34 34.681 34.729 17.678 1.00 0.00 O ATOM 545 CB GLU A 34 31.882 35.297 18.309 1.00 0.00 C ATOM 546 CG GLU A 34 31.199 36.562 18.840 1.00 0.00 C ATOM 547 CD GLU A 34 32.137 37.714 19.153 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.172 37.439 19.805 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.927 38.860 18.705 1.00 0.00 O ATOM 0 H GLU A 34 31.452 34.226 15.756 1.00 0.00 H new ATOM 0 HA GLU A 34 32.933 36.522 16.956 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.135 34.510 18.204 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.608 34.952 19.045 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.468 36.898 18.105 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.647 36.306 19.745 1.00 0.00 H new ATOM 556 N GLY A 35 34.043 34.008 15.634 1.00 0.00 N ATOM 557 CA GLY A 35 35.314 33.617 15.074 1.00 0.00 C ATOM 558 C GLY A 35 35.901 32.300 15.571 1.00 0.00 C ATOM 559 O GLY A 35 36.917 31.813 15.083 1.00 0.00 O ATOM 0 H GLY A 35 33.263 33.738 15.035 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.205 33.555 13.991 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.034 34.410 15.277 1.00 0.00 H new ATOM 563 N ILE A 36 35.201 31.689 16.520 1.00 0.00 N ATOM 564 CA ILE A 36 35.425 30.416 17.181 1.00 0.00 C ATOM 565 C ILE A 36 35.083 29.327 16.154 1.00 0.00 C ATOM 566 O ILE A 36 33.933 29.021 15.866 1.00 0.00 O ATOM 567 CB ILE A 36 34.603 30.425 18.470 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.961 31.576 19.404 1.00 0.00 C ATOM 569 CG2 ILE A 36 34.848 29.051 19.093 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.852 31.815 20.427 1.00 0.00 C ATOM 0 H ILE A 36 34.359 32.133 16.887 1.00 0.00 H new ATOM 0 HA ILE A 36 36.450 30.222 17.496 1.00 0.00 H new ATOM 0 HB ILE A 36 33.545 30.595 18.269 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.895 31.353 19.920 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.126 32.483 18.823 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.293 28.971 20.027 1.00 0.00 H new ATOM 0 HG22 ILE A 36 34.514 28.275 18.405 1.00 0.00 H new ATOM 0 HG23 ILE A 36 35.912 28.926 19.292 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.132 32.641 21.081 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.925 32.061 19.908 1.00 0.00 H new ATOM 0 HD13 ILE A 36 33.706 30.914 21.023 1.00 0.00 H new ATOM 582 N PRO A 37 36.068 28.621 15.605 1.00 0.00 N ATOM 583 CA PRO A 37 35.831 27.611 14.594 1.00 0.00 C ATOM 584 C PRO A 37 35.262 26.273 15.082 1.00 0.00 C ATOM 585 O PRO A 37 35.402 26.009 16.274 1.00 0.00 O ATOM 586 CB PRO A 37 37.210 27.300 14.009 1.00 0.00 C ATOM 587 CG PRO A 37 38.189 27.671 15.117 1.00 0.00 C ATOM 588 CD PRO A 37 37.466 28.714 15.956 1.00 0.00 C ATOM 0 HA PRO A 37 35.084 28.018 13.912 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.298 26.248 13.738 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.397 27.879 13.104 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.455 26.800 15.715 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.116 28.070 14.706 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.613 28.527 17.020 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.852 29.713 15.752 1.00 0.00 H new ATOM 596 N PRO A 38 34.653 25.421 14.252 1.00 0.00 N ATOM 597 CA PRO A 38 34.268 24.048 14.450 1.00 0.00 C ATOM 598 C PRO A 38 35.391 23.157 14.984 1.00 0.00 C ATOM 599 O PRO A 38 35.091 22.235 15.747 1.00 0.00 O ATOM 600 CB PRO A 38 33.597 23.475 13.205 1.00 0.00 C ATOM 601 CG PRO A 38 33.772 24.540 12.120 1.00 0.00 C ATOM 602 CD PRO A 38 34.158 25.770 12.938 1.00 0.00 C ATOM 0 HA PRO A 38 33.526 24.054 15.248 1.00 0.00 H new ATOM 0 HB2 PRO A 38 34.059 22.533 12.909 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.542 23.270 13.387 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.547 24.268 11.403 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.855 24.699 11.553 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.921 26.335 12.403 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.291 26.423 13.040 1.00 0.00 H new ATOM 610 N ASP A 39 36.649 23.365 14.596 1.00 0.00 N ATOM 611 CA ASP A 39 37.826 22.671 15.084 1.00 0.00 C ATOM 612 C ASP A 39 38.142 22.842 16.567 1.00 0.00 C ATOM 613 O ASP A 39 38.949 22.113 17.142 1.00 0.00 O ATOM 614 CB ASP A 39 39.002 23.190 14.252 1.00 0.00 C ATOM 615 CG ASP A 39 38.809 23.202 12.746 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.099 22.173 12.089 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.228 24.195 12.266 1.00 0.00 O ATOM 0 H ASP A 39 36.880 24.065 13.891 1.00 0.00 H new ATOM 0 HA ASP A 39 37.638 21.603 14.978 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.228 24.206 14.576 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.877 22.581 14.480 1.00 0.00 H new ATOM 622 N GLN A 40 37.644 23.839 17.298 1.00 0.00 N ATOM 623 CA GLN A 40 37.966 24.102 18.680 1.00 0.00 C ATOM 624 C GLN A 40 36.687 24.114 19.524 1.00 0.00 C ATOM 625 O GLN A 40 36.520 24.748 20.565 1.00 0.00 O ATOM 626 CB GLN A 40 38.741 25.409 18.829 1.00 0.00 C ATOM 627 CG GLN A 40 40.191 25.219 18.371 1.00 0.00 C ATOM 628 CD GLN A 40 41.095 26.433 18.493 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.253 26.326 18.086 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.616 27.581 18.969 1.00 0.00 N ATOM 0 H GLN A 40 36.976 24.509 16.916 1.00 0.00 H new ATOM 0 HA GLN A 40 38.612 23.302 19.043 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.265 26.192 18.239 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.720 25.736 19.868 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.629 24.405 18.949 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.183 24.901 17.328 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.652 27.634 19.298 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.213 28.407 19.005 1.00 0.00 H new ATOM 639 N GLN A 41 35.624 23.598 18.909 1.00 0.00 N ATOM 640 CA GLN A 41 34.248 23.821 19.317 1.00 0.00 C ATOM 641 C GLN A 41 33.787 22.573 20.067 1.00 0.00 C ATOM 642 O GLN A 41 33.800 21.480 19.494 1.00 0.00 O ATOM 643 CB GLN A 41 33.441 23.793 18.015 1.00 0.00 C ATOM 644 CG GLN A 41 32.047 24.396 18.198 1.00 0.00 C ATOM 645 CD GLN A 41 31.877 25.883 17.951 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.782 26.430 18.109 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.926 26.665 17.706 1.00 0.00 N ATOM 0 H GLN A 41 35.705 22.996 18.089 1.00 0.00 H new ATOM 0 HA GLN A 41 34.139 24.732 19.906 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.977 24.345 17.243 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.349 22.764 17.666 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.364 23.867 17.533 1.00 0.00 H new ATOM 0 HG3 GLN A 41 31.724 24.188 19.218 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.849 26.252 17.569 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.807 27.677 17.655 1.00 0.00 H new ATOM 656 N ARG A 42 33.277 22.720 21.282 1.00 0.00 N ATOM 657 CA ARG A 42 32.581 21.690 22.041 1.00 0.00 C ATOM 658 C ARG A 42 31.309 22.395 22.536 1.00 0.00 C ATOM 659 O ARG A 42 31.299 23.299 23.375 1.00 0.00 O ATOM 660 CB ARG A 42 33.604 21.159 23.033 1.00 0.00 C ATOM 661 CG ARG A 42 33.109 20.144 24.069 1.00 0.00 C ATOM 662 CD ARG A 42 34.109 19.537 25.044 1.00 0.00 C ATOM 663 NE ARG A 42 34.723 18.441 24.306 1.00 0.00 N ATOM 664 CZ ARG A 42 35.561 17.556 24.866 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.953 17.656 26.146 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.148 16.609 24.114 1.00 0.00 N ATOM 0 H ARG A 42 33.340 23.603 21.789 1.00 0.00 H new ATOM 0 HA ARG A 42 32.225 20.789 21.541 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.415 20.699 22.469 1.00 0.00 H new ATOM 0 HB3 ARG A 42 34.029 22.008 23.568 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.329 20.627 24.657 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.638 19.324 23.527 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.853 20.270 25.357 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.615 19.179 25.947 1.00 0.00 H new ATOM 0 HE ARG A 42 34.505 18.342 23.315 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.612 18.423 26.725 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.592 16.965 26.539 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.957 16.561 23.113 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.785 15.938 24.544 1.00 0.00 H new ATOM 680 N LEU A 43 30.197 22.003 21.931 1.00 0.00 N ATOM 681 CA LEU A 43 28.926 22.581 22.309 1.00 0.00 C ATOM 682 C LEU A 43 28.289 21.690 23.375 1.00 0.00 C ATOM 683 O LEU A 43 28.320 20.473 23.179 1.00 0.00 O ATOM 684 CB LEU A 43 28.060 22.630 21.044 1.00 0.00 C ATOM 685 CG LEU A 43 28.353 23.685 19.986 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.712 23.232 18.678 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.073 25.136 20.412 1.00 0.00 C ATOM 0 H LEU A 43 30.153 21.301 21.192 1.00 0.00 H new ATOM 0 HA LEU A 43 29.034 23.585 22.719 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.127 21.654 20.562 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.025 22.760 21.359 1.00 0.00 H new ATOM 0 HG LEU A 43 29.430 23.748 19.831 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.907 23.972 17.902 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.134 22.272 18.379 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.636 23.128 18.817 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.313 25.810 19.589 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.020 25.242 20.672 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.687 25.386 21.277 1.00 0.00 H new ATOM 699 N ILE A 44 27.895 22.226 24.523 1.00 0.00 N ATOM 700 CA ILE A 44 27.330 21.382 25.556 1.00 0.00 C ATOM 701 C ILE A 44 25.996 21.897 26.084 1.00 0.00 C ATOM 702 O ILE A 44 25.803 23.112 26.107 1.00 0.00 O ATOM 703 CB ILE A 44 28.263 21.186 26.746 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.467 22.486 27.538 1.00 0.00 C ATOM 705 CG2 ILE A 44 29.590 20.519 26.373 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.134 22.545 28.910 1.00 0.00 C ATOM 0 H ILE A 44 27.955 23.217 24.755 1.00 0.00 H new ATOM 0 HA ILE A 44 27.177 20.425 25.056 1.00 0.00 H new ATOM 0 HB ILE A 44 27.758 20.483 27.408 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.038 23.152 26.891 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.479 22.929 27.659 1.00 0.00 H new ATOM 0 HG21 ILE A 44 30.206 20.410 27.266 1.00 0.00 H new ATOM 0 HG22 ILE A 44 29.395 19.536 25.944 1.00 0.00 H new ATOM 0 HG23 ILE A 44 30.115 21.136 25.643 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.158 23.577 29.259 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.569 21.937 29.616 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.152 22.163 28.836 1.00 0.00 H new ATOM 718 N PHE A 45 25.087 20.984 26.413 1.00 0.00 N ATOM 719 CA PHE A 45 23.873 21.310 27.137 1.00 0.00 C ATOM 720 C PHE A 45 23.661 20.229 28.201 1.00 0.00 C ATOM 721 O PHE A 45 23.754 19.057 27.869 1.00 0.00 O ATOM 722 CB PHE A 45 22.695 21.605 26.217 1.00 0.00 C ATOM 723 CG PHE A 45 21.570 22.294 26.949 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.677 23.668 27.190 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.447 21.524 27.316 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.614 24.292 27.850 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.381 22.237 27.864 1.00 0.00 C ATOM 728 CZ PHE A 45 19.394 23.625 28.040 1.00 0.00 C ATOM 0 H PHE A 45 25.177 19.995 26.182 1.00 0.00 H new ATOM 0 HA PHE A 45 23.969 22.260 27.663 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.028 22.232 25.390 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.330 20.674 25.784 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.548 24.226 26.878 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.415 20.453 27.182 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.733 25.300 28.218 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.501 21.690 28.168 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.498 24.163 28.312 1.00 0.00 H new ATOM 738 N ALA A 46 23.348 20.555 29.453 1.00 0.00 N ATOM 739 CA ALA A 46 22.863 19.624 30.453 1.00 0.00 C ATOM 740 C ALA A 46 23.930 18.595 30.824 1.00 0.00 C ATOM 741 O ALA A 46 23.556 17.531 31.319 1.00 0.00 O ATOM 742 CB ALA A 46 21.503 19.015 30.121 1.00 0.00 C ATOM 0 H ALA A 46 23.430 21.509 29.805 1.00 0.00 H new ATOM 0 HA ALA A 46 22.671 20.207 31.354 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.208 18.330 30.915 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.761 19.808 30.032 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.568 18.471 29.178 1.00 0.00 H new ATOM 748 N GLY A 47 25.200 18.863 30.578 1.00 0.00 N ATOM 749 CA GLY A 47 26.290 17.921 30.779 1.00 0.00 C ATOM 750 C GLY A 47 26.631 17.133 29.513 1.00 0.00 C ATOM 751 O GLY A 47 27.652 16.463 29.464 1.00 0.00 O ATOM 0 H GLY A 47 25.512 19.767 30.223 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.175 18.462 31.115 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.021 17.225 31.574 1.00 0.00 H new ATOM 755 N LYS A 48 25.697 17.055 28.576 1.00 0.00 N ATOM 756 CA LYS A 48 25.821 16.289 27.352 1.00 0.00 C ATOM 757 C LYS A 48 26.643 17.122 26.371 1.00 0.00 C ATOM 758 O LYS A 48 26.459 18.339 26.302 1.00 0.00 O ATOM 759 CB LYS A 48 24.408 16.142 26.794 1.00 0.00 C ATOM 760 CG LYS A 48 23.322 15.708 27.774 1.00 0.00 C ATOM 761 CD LYS A 48 21.965 15.525 27.086 1.00 0.00 C ATOM 762 CE LYS A 48 20.876 14.940 27.984 1.00 0.00 C ATOM 763 NZ LYS A 48 19.667 14.567 27.240 1.00 0.00 N ATOM 0 H LYS A 48 24.803 17.541 28.653 1.00 0.00 H new ATOM 0 HA LYS A 48 26.290 15.319 27.514 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.113 17.098 26.361 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.438 15.419 25.979 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.616 14.772 28.249 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.230 16.452 28.565 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.629 16.491 26.710 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.095 14.874 26.221 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.267 14.061 28.497 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.615 15.668 28.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.962 14.176 27.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.275 15.408 26.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.907 13.852 26.524 1.00 0.00 H new ATOM 777 N GLN A 49 27.463 16.519 25.513 1.00 0.00 N ATOM 778 CA GLN A 49 28.230 17.196 24.476 1.00 0.00 C ATOM 779 C GLN A 49 27.453 16.995 23.172 1.00 0.00 C ATOM 780 O GLN A 49 27.071 15.875 22.825 1.00 0.00 O ATOM 781 CB GLN A 49 29.592 16.511 24.347 1.00 0.00 C ATOM 782 CG GLN A 49 30.342 16.430 25.676 1.00 0.00 C ATOM 783 CD GLN A 49 31.682 15.720 25.581 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.420 15.617 26.564 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.970 15.119 24.434 1.00 0.00 N ATOM 0 H GLN A 49 27.615 15.510 25.523 1.00 0.00 H new ATOM 0 HA GLN A 49 28.376 18.252 24.703 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.452 15.505 23.952 1.00 0.00 H new ATOM 0 HB3 GLN A 49 30.200 17.055 23.624 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.502 17.440 26.054 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.718 15.912 26.404 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.344 15.219 23.635 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.817 14.557 24.351 1.00 0.00 H new ATOM 794 N LEU A 50 27.108 18.089 22.503 1.00 0.00 N ATOM 795 CA LEU A 50 26.207 17.981 21.370 1.00 0.00 C ATOM 796 C LEU A 50 26.924 17.317 20.195 1.00 0.00 C ATOM 797 O LEU A 50 27.952 17.743 19.672 1.00 0.00 O ATOM 798 CB LEU A 50 25.650 19.335 20.951 1.00 0.00 C ATOM 799 CG LEU A 50 25.003 20.241 22.003 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.063 21.263 21.381 1.00 0.00 C ATOM 801 CD2 LEU A 50 24.129 19.372 22.923 1.00 0.00 C ATOM 0 H LEU A 50 27.429 19.033 22.719 1.00 0.00 H new ATOM 0 HA LEU A 50 25.363 17.364 21.677 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.465 19.896 20.493 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.908 19.157 20.172 1.00 0.00 H new ATOM 0 HG LEU A 50 25.809 20.753 22.528 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.628 21.882 22.166 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.619 21.894 20.687 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.267 20.746 20.844 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.660 20.001 23.679 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.358 18.878 22.332 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.750 18.620 23.410 1.00 0.00 H new ATOM 813 N GLU A 51 26.416 16.139 19.834 1.00 0.00 N ATOM 814 CA GLU A 51 26.794 15.301 18.716 1.00 0.00 C ATOM 815 C GLU A 51 26.133 15.727 17.409 1.00 0.00 C ATOM 816 O GLU A 51 24.905 15.843 17.435 1.00 0.00 O ATOM 817 CB GLU A 51 26.315 13.894 19.055 1.00 0.00 C ATOM 818 CG GLU A 51 27.162 13.248 20.163 1.00 0.00 C ATOM 819 CD GLU A 51 27.025 11.742 20.367 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.997 11.181 19.920 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.820 11.116 21.095 1.00 0.00 O ATOM 0 H GLU A 51 25.660 15.716 20.372 1.00 0.00 H new ATOM 0 HA GLU A 51 27.872 15.370 18.569 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.273 13.932 19.372 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.354 13.273 18.160 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.210 13.465 19.955 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.915 13.739 21.104 1.00 0.00 H new ATOM 828 N ASP A 52 26.917 15.813 16.332 1.00 0.00 N ATOM 829 CA ASP A 52 26.596 16.070 14.945 1.00 0.00 C ATOM 830 C ASP A 52 25.354 15.352 14.413 1.00 0.00 C ATOM 831 O ASP A 52 25.146 14.166 14.645 1.00 0.00 O ATOM 832 CB ASP A 52 27.916 15.829 14.215 1.00 0.00 C ATOM 833 CG ASP A 52 29.065 16.724 14.679 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.573 16.507 15.792 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.369 17.739 14.011 1.00 0.00 O ATOM 0 H ASP A 52 27.923 15.685 16.439 1.00 0.00 H new ATOM 0 HA ASP A 52 26.249 17.089 14.776 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.206 14.787 14.348 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.760 15.982 13.147 1.00 0.00 H new ATOM 840 N GLY A 53 24.676 16.108 13.559 1.00 0.00 N ATOM 841 CA GLY A 53 23.673 15.532 12.696 1.00 0.00 C ATOM 842 C GLY A 53 22.287 15.488 13.344 1.00 0.00 C ATOM 843 O GLY A 53 21.260 15.218 12.724 1.00 0.00 O ATOM 0 H GLY A 53 24.806 17.114 13.451 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.619 16.109 11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.973 14.521 12.422 1.00 0.00 H new ATOM 847 N ARG A 54 22.209 15.632 14.662 1.00 0.00 N ATOM 848 CA ARG A 54 21.001 15.719 15.468 1.00 0.00 C ATOM 849 C ARG A 54 20.401 17.113 15.241 1.00 0.00 C ATOM 850 O ARG A 54 21.130 18.099 15.236 1.00 0.00 O ATOM 851 CB ARG A 54 21.475 15.508 16.904 1.00 0.00 C ATOM 852 CG ARG A 54 21.975 14.119 17.313 1.00 0.00 C ATOM 853 CD ARG A 54 20.846 13.087 17.312 1.00 0.00 C ATOM 854 NE ARG A 54 20.502 12.818 18.705 1.00 0.00 N ATOM 855 CZ ARG A 54 21.291 12.338 19.690 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.516 11.816 19.532 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.787 12.182 20.917 1.00 0.00 N ATOM 0 H ARG A 54 23.051 15.695 15.235 1.00 0.00 H new ATOM 0 HA ARG A 54 20.230 14.989 15.223 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.279 16.219 17.095 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.651 15.772 17.567 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.761 13.799 16.628 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.420 14.171 18.307 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.980 13.465 16.769 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.162 12.172 16.811 1.00 0.00 H new ATOM 0 HE ARG A 54 19.538 13.019 18.969 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.929 11.756 18.601 1.00 0.00 H new ATOM 0 HH12 ARG A 54 23.035 11.479 20.343 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.814 12.425 21.103 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.375 11.820 21.668 1.00 0.00 H new ATOM 871 N THR A 55 19.070 17.110 15.157 1.00 0.00 N ATOM 872 CA THR A 55 18.286 18.309 15.349 1.00 0.00 C ATOM 873 C THR A 55 18.378 18.736 16.814 1.00 0.00 C ATOM 874 O THR A 55 18.368 17.917 17.733 1.00 0.00 O ATOM 875 CB THR A 55 16.827 18.023 15.011 1.00 0.00 C ATOM 876 OG1 THR A 55 16.112 17.101 15.796 1.00 0.00 O ATOM 877 CG2 THR A 55 16.655 17.548 13.567 1.00 0.00 C ATOM 0 H THR A 55 18.517 16.277 14.955 1.00 0.00 H new ATOM 0 HA THR A 55 18.666 19.100 14.702 1.00 0.00 H new ATOM 0 HB THR A 55 16.403 19.006 15.218 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.195 17.026 15.459 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.600 17.356 13.370 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.017 18.318 12.885 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.225 16.631 13.415 1.00 0.00 H new ATOM 885 N LEU A 56 18.497 20.042 17.071 1.00 0.00 N ATOM 886 CA LEU A 56 18.484 20.647 18.383 1.00 0.00 C ATOM 887 C LEU A 56 17.268 20.263 19.234 1.00 0.00 C ATOM 888 O LEU A 56 17.384 20.198 20.454 1.00 0.00 O ATOM 889 CB LEU A 56 18.602 22.168 18.256 1.00 0.00 C ATOM 890 CG LEU A 56 19.996 22.700 17.929 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.995 24.195 17.598 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.912 22.433 19.121 1.00 0.00 C ATOM 0 H LEU A 56 18.610 20.729 16.326 1.00 0.00 H new ATOM 0 HA LEU A 56 19.348 20.251 18.916 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.914 22.504 17.480 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.272 22.619 19.192 1.00 0.00 H new ATOM 0 HG LEU A 56 20.354 22.182 17.039 1.00 0.00 H new ATOM 0 HD11 LEU A 56 21.011 24.519 17.374 1.00 0.00 H new ATOM 0 HD12 LEU A 56 19.357 24.376 16.733 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.615 24.756 18.452 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.912 22.808 18.902 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.519 22.940 20.002 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.960 21.361 19.310 1.00 0.00 H new ATOM 904 N SER A 57 16.131 19.989 18.612 1.00 0.00 N ATOM 905 CA SER A 57 14.855 19.666 19.228 1.00 0.00 C ATOM 906 C SER A 57 14.826 18.251 19.796 1.00 0.00 C ATOM 907 O SER A 57 14.301 18.003 20.885 1.00 0.00 O ATOM 908 CB SER A 57 13.783 19.818 18.144 1.00 0.00 C ATOM 909 OG SER A 57 12.467 19.740 18.622 1.00 0.00 O ATOM 0 H SER A 57 16.073 19.987 17.594 1.00 0.00 H new ATOM 0 HA SER A 57 14.679 20.337 20.068 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.920 20.777 17.645 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.931 19.043 17.391 1.00 0.00 H new ATOM 0 HG SER A 57 11.841 19.847 17.876 1.00 0.00 H new ATOM 915 N ASP A 58 15.485 17.313 19.123 1.00 0.00 N ATOM 916 CA ASP A 58 15.754 16.007 19.672 1.00 0.00 C ATOM 917 C ASP A 58 16.594 16.021 20.951 1.00 0.00 C ATOM 918 O ASP A 58 16.547 15.060 21.731 1.00 0.00 O ATOM 919 CB ASP A 58 16.499 15.283 18.543 1.00 0.00 C ATOM 920 CG ASP A 58 16.880 13.850 18.865 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.019 12.951 19.012 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.079 13.648 19.162 1.00 0.00 O ATOM 0 H ASP A 58 15.845 17.447 18.178 1.00 0.00 H new ATOM 0 HA ASP A 58 14.827 15.523 19.979 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.875 15.289 17.650 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.404 15.842 18.303 1.00 0.00 H new ATOM 927 N TYR A 59 17.286 17.118 21.237 1.00 0.00 N ATOM 928 CA TYR A 59 17.920 17.402 22.517 1.00 0.00 C ATOM 929 C TYR A 59 17.226 18.318 23.530 1.00 0.00 C ATOM 930 O TYR A 59 17.887 18.838 24.425 1.00 0.00 O ATOM 931 CB TYR A 59 19.194 18.166 22.149 1.00 0.00 C ATOM 932 CG TYR A 59 20.418 17.299 21.908 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.850 16.460 22.946 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.925 17.156 20.620 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.967 15.653 22.721 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.112 16.419 20.471 1.00 0.00 C ATOM 937 CZ TYR A 59 22.669 15.668 21.515 1.00 0.00 C ATOM 938 OH TYR A 59 23.912 15.114 21.397 1.00 0.00 O ATOM 0 H TYR A 59 17.426 17.863 20.555 1.00 0.00 H new ATOM 0 HA TYR A 59 17.980 16.432 23.010 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.001 18.753 21.251 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.420 18.872 22.948 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.332 16.439 23.894 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.426 17.594 19.768 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.300 14.993 23.509 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.615 16.432 19.515 1.00 0.00 H new ATOM 0 HH TYR A 59 23.837 14.228 20.986 1.00 0.00 H new ATOM 948 N ASN A 60 15.953 18.615 23.308 1.00 0.00 N ATOM 949 CA ASN A 60 15.106 19.283 24.282 1.00 0.00 C ATOM 950 C ASN A 60 15.383 20.776 24.478 1.00 0.00 C ATOM 951 O ASN A 60 15.059 21.424 25.467 1.00 0.00 O ATOM 952 CB ASN A 60 15.043 18.585 25.633 1.00 0.00 C ATOM 953 CG ASN A 60 14.446 17.189 25.657 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.160 16.235 25.333 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.176 17.039 26.032 1.00 0.00 N ATOM 0 H ASN A 60 15.475 18.395 22.434 1.00 0.00 H new ATOM 0 HA ASN A 60 14.125 19.206 23.813 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.055 18.528 26.033 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.466 19.212 26.313 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.759 16.109 26.059 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.621 17.855 26.292 1.00 0.00 H new ATOM 962 N ILE A 61 16.019 21.373 23.473 1.00 0.00 N ATOM 963 CA ILE A 61 16.370 22.770 23.491 1.00 0.00 C ATOM 964 C ILE A 61 15.064 23.492 23.156 1.00 0.00 C ATOM 965 O ILE A 61 14.226 22.996 22.399 1.00 0.00 O ATOM 966 CB ILE A 61 17.363 23.122 22.384 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.616 22.258 22.536 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.694 24.611 22.453 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.310 22.396 23.895 1.00 0.00 C ATOM 0 H ILE A 61 16.302 20.888 22.622 1.00 0.00 H new ATOM 0 HA ILE A 61 16.818 23.038 24.448 1.00 0.00 H new ATOM 0 HB ILE A 61 16.928 22.919 21.405 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.345 21.213 22.383 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.324 22.522 21.750 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.402 24.863 21.664 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.782 25.193 22.322 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.135 24.841 23.423 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.189 21.752 23.922 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.615 23.432 24.044 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.621 22.103 24.687 1.00 0.00 H new ATOM 981 N GLN A 62 14.849 24.533 23.953 1.00 0.00 N ATOM 982 CA GLN A 62 13.719 25.437 23.868 1.00 0.00 C ATOM 983 C GLN A 62 14.167 26.836 23.445 1.00 0.00 C ATOM 984 O GLN A 62 15.328 27.224 23.491 1.00 0.00 O ATOM 985 CB GLN A 62 13.080 25.585 25.253 1.00 0.00 C ATOM 986 CG GLN A 62 12.389 24.299 25.716 1.00 0.00 C ATOM 987 CD GLN A 62 11.804 24.352 27.127 1.00 0.00 C ATOM 988 OE1 GLN A 62 12.146 25.276 27.859 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.933 23.452 27.560 1.00 0.00 N ATOM 0 H GLN A 62 15.490 24.776 24.708 1.00 0.00 H new ATOM 0 HA GLN A 62 13.022 25.024 23.139 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.847 25.863 25.976 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.353 26.397 25.230 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.588 24.062 25.016 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.107 23.481 25.667 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.648 22.684 26.952 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.547 23.527 28.501 1.00 0.00 H new ATOM 998 N LYS A 63 13.212 27.719 23.139 1.00 0.00 N ATOM 999 CA LYS A 63 13.394 29.143 22.926 1.00 0.00 C ATOM 1000 C LYS A 63 14.161 29.784 24.086 1.00 0.00 C ATOM 1001 O LYS A 63 13.791 29.544 25.234 1.00 0.00 O ATOM 1002 CB LYS A 63 12.066 29.833 22.636 1.00 0.00 C ATOM 1003 CG LYS A 63 11.058 29.671 23.774 1.00 0.00 C ATOM 1004 CD LYS A 63 10.562 30.957 24.425 1.00 0.00 C ATOM 1005 CE LYS A 63 10.217 30.608 25.876 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.814 31.784 26.664 1.00 0.00 N ATOM 0 H LYS A 63 12.239 27.435 23.029 1.00 0.00 H new ATOM 0 HA LYS A 63 14.011 29.280 22.038 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.243 30.894 22.461 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.641 29.425 21.719 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.195 29.126 23.392 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.511 29.049 24.546 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.327 31.732 24.384 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.688 31.344 23.901 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.410 29.875 25.887 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.081 30.139 26.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.601 32.077 27.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.567 32.564 26.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.989 31.543 27.250 1.00 0.00 H new ATOM 1020 N GLU A 64 15.065 30.715 23.794 1.00 0.00 N ATOM 1021 CA GLU A 64 15.624 31.645 24.757 1.00 0.00 C ATOM 1022 C GLU A 64 16.551 31.066 25.830 1.00 0.00 C ATOM 1023 O GLU A 64 16.940 31.852 26.678 1.00 0.00 O ATOM 1024 CB GLU A 64 14.580 32.714 25.100 1.00 0.00 C ATOM 1025 CG GLU A 64 13.974 32.591 26.504 1.00 0.00 C ATOM 1026 CD GLU A 64 12.653 33.323 26.700 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.229 34.028 25.753 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.064 33.134 27.790 1.00 0.00 O ATOM 0 H GLU A 64 15.436 30.843 22.853 1.00 0.00 H new ATOM 0 HA GLU A 64 16.435 32.211 24.299 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.041 33.697 25.003 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.775 32.665 24.366 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.824 31.535 26.727 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.694 32.971 27.229 1.00 0.00 H new ATOM 1035 N SER A 65 16.810 29.760 25.803 1.00 0.00 N ATOM 1036 CA SER A 65 17.800 29.033 26.554 1.00 0.00 C ATOM 1037 C SER A 65 19.264 29.476 26.470 1.00 0.00 C ATOM 1038 O SER A 65 19.668 29.893 25.382 1.00 0.00 O ATOM 1039 CB SER A 65 17.588 27.591 26.108 1.00 0.00 C ATOM 1040 OG SER A 65 18.324 26.722 26.952 1.00 0.00 O ATOM 0 H SER A 65 16.277 29.138 25.195 1.00 0.00 H new ATOM 0 HA SER A 65 17.642 29.219 27.616 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.528 27.340 26.145 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.909 27.468 25.073 1.00 0.00 H new ATOM 0 HG SER A 65 18.163 25.793 26.685 1.00 0.00 H new ATOM 1046 N THR A 66 20.023 29.343 27.553 1.00 0.00 N ATOM 1047 CA THR A 66 21.417 29.700 27.705 1.00 0.00 C ATOM 1048 C THR A 66 22.158 28.366 27.608 1.00 0.00 C ATOM 1049 O THR A 66 22.046 27.502 28.473 1.00 0.00 O ATOM 1050 CB THR A 66 21.616 30.420 29.040 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.723 31.493 29.184 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.032 31.003 29.147 1.00 0.00 C ATOM 0 H THR A 66 19.641 28.950 28.413 1.00 0.00 H new ATOM 0 HA THR A 66 21.790 30.394 26.952 1.00 0.00 H new ATOM 0 HB THR A 66 21.443 29.674 29.816 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.874 31.931 30.047 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.146 31.509 30.106 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.763 30.198 29.073 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.194 31.716 28.339 1.00 0.00 H new ATOM 1060 N LEU A 67 22.805 28.166 26.461 1.00 0.00 N ATOM 1061 CA LEU A 67 23.661 27.030 26.222 1.00 0.00 C ATOM 1062 C LEU A 67 25.091 27.524 26.432 1.00 0.00 C ATOM 1063 O LEU A 67 25.337 28.724 26.407 1.00 0.00 O ATOM 1064 CB LEU A 67 23.438 26.554 24.783 1.00 0.00 C ATOM 1065 CG LEU A 67 22.144 25.865 24.352 1.00 0.00 C ATOM 1066 CD1 LEU A 67 20.833 26.539 24.757 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.231 25.541 22.857 1.00 0.00 C ATOM 0 H LEU A 67 22.741 28.804 25.667 1.00 0.00 H new ATOM 0 HA LEU A 67 23.455 26.192 26.888 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.559 27.426 24.141 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.253 25.869 24.548 1.00 0.00 H new ATOM 0 HG LEU A 67 22.082 24.944 24.932 1.00 0.00 H new ATOM 0 HD11 LEU A 67 19.993 25.950 24.390 1.00 0.00 H new ATOM 0 HD12 LEU A 67 20.780 26.609 25.843 1.00 0.00 H new ATOM 0 HD13 LEU A 67 20.790 27.539 24.327 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.313 25.049 22.537 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.364 26.464 22.292 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.079 24.880 22.677 1.00 0.00 H new ATOM 1079 N HIS A 68 25.945 26.529 26.616 1.00 0.00 N ATOM 1080 CA HIS A 68 27.355 26.755 26.870 1.00 0.00 C ATOM 1081 C HIS A 68 28.166 26.236 25.685 1.00 0.00 C ATOM 1082 O HIS A 68 27.933 25.106 25.265 1.00 0.00 O ATOM 1083 CB HIS A 68 27.693 26.020 28.173 1.00 0.00 C ATOM 1084 CG HIS A 68 26.641 26.294 29.205 1.00 0.00 C ATOM 1085 ND1 HIS A 68 25.472 25.534 29.338 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.603 27.264 30.171 1.00 0.00 C ATOM 1087 CE1 HIS A 68 24.771 26.188 30.271 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.386 27.257 30.820 1.00 0.00 N ATOM 0 H HIS A 68 25.679 25.545 26.593 1.00 0.00 H new ATOM 0 HA HIS A 68 27.594 27.813 26.980 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.762 24.948 27.988 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.667 26.343 28.540 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.414 27.941 30.394 1.00 0.00 H new ATOM 0 HE1 HIS A 68 23.778 25.881 30.566 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.039 27.897 31.534 1.00 0.00 H new ATOM 1096 N LEU A 69 29.137 26.983 25.141 1.00 0.00 N ATOM 1097 CA LEU A 69 30.139 26.607 24.165 1.00 0.00 C ATOM 1098 C LEU A 69 31.441 26.493 24.959 1.00 0.00 C ATOM 1099 O LEU A 69 31.956 27.495 25.450 1.00 0.00 O ATOM 1100 CB LEU A 69 30.303 27.737 23.148 1.00 0.00 C ATOM 1101 CG LEU A 69 31.585 27.820 22.315 1.00 0.00 C ATOM 1102 CD1 LEU A 69 32.035 26.532 21.618 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.396 28.884 21.239 1.00 0.00 C ATOM 0 H LEU A 69 29.240 27.962 25.409 1.00 0.00 H new ATOM 0 HA LEU A 69 29.874 25.689 23.641 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.465 27.676 22.453 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.202 28.679 23.687 1.00 0.00 H new ATOM 0 HG LEU A 69 32.368 28.051 23.038 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.953 26.721 21.061 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.216 25.759 22.364 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.257 26.199 20.932 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.301 28.956 20.636 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.555 28.611 20.601 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.196 29.846 21.710 1.00 0.00 H new ATOM 1115 N VAL A 70 32.022 25.308 25.161 1.00 0.00 N ATOM 1116 CA VAL A 70 33.320 25.092 25.760 1.00 0.00 C ATOM 1117 C VAL A 70 34.322 25.457 24.661 1.00 0.00 C ATOM 1118 O VAL A 70 34.419 24.838 23.609 1.00 0.00 O ATOM 1119 CB VAL A 70 33.484 23.644 26.235 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.678 23.422 27.162 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.261 23.079 26.958 1.00 0.00 C ATOM 0 H VAL A 70 31.568 24.435 24.894 1.00 0.00 H new ATOM 0 HA VAL A 70 33.468 25.698 26.654 1.00 0.00 H new ATOM 0 HB VAL A 70 33.637 23.118 25.293 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.723 22.372 27.452 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.597 23.695 26.643 1.00 0.00 H new ATOM 0 HG13 VAL A 70 34.567 24.040 28.053 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.460 22.051 27.261 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.049 23.683 27.841 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.401 23.100 26.289 1.00 0.00 H new ATOM 1131 N LEU A 71 35.153 26.464 24.931 1.00 0.00 N ATOM 1132 CA LEU A 71 36.381 26.825 24.260 1.00 0.00 C ATOM 1133 C LEU A 71 37.458 25.753 24.477 1.00 0.00 C ATOM 1134 O LEU A 71 38.021 25.676 25.567 1.00 0.00 O ATOM 1135 CB LEU A 71 36.803 28.204 24.764 1.00 0.00 C ATOM 1136 CG LEU A 71 35.729 29.282 24.619 1.00 0.00 C ATOM 1137 CD1 LEU A 71 36.159 30.700 25.013 1.00 0.00 C ATOM 1138 CD2 LEU A 71 35.204 29.336 23.178 1.00 0.00 C ATOM 0 H LEU A 71 34.955 27.103 25.701 1.00 0.00 H new ATOM 0 HA LEU A 71 36.233 26.877 23.181 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.082 28.124 25.815 1.00 0.00 H new ATOM 0 HB3 LEU A 71 37.694 28.520 24.221 1.00 0.00 H new ATOM 0 HG LEU A 71 34.958 28.975 25.326 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.324 31.386 24.872 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.465 30.710 26.059 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.995 31.014 24.388 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.441 30.110 23.098 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.026 29.565 22.500 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.772 28.371 22.912 1.00 0.00 H new