USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 796 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 18 GLN : amide:sc= -1.57 X(o=-2.4,f=-2.4) USER MOD Set 1.2: B 11 MET CE :methyl -128:sc= 0 (180deg=-0.296) USER MOD Set 1.3: B 18 GLN : amide:sc= -0.842 X(o=-2.4,f=-2.4) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc=-0.00523 (180deg=-0.192) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 10 ASN : amide:sc= -0.367 K(o=-0.37,f=-6!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -170:sc= -0.417 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0524 (180deg=-0.539) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0975 F(o=-2.7!,f=-0.097) USER MOD Single : A 34 GLN : amide:sc= -3.94 K(o=-3.9,f=-4.6!) USER MOD Single : A 38 CYS SG : rot 140:sc= -1.44 USER MOD Single : A 40 SER OG : rot 180:sc= 0.00113 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -1.25 F(o=-3!,f=-1.2) USER MOD Single : A 44 HIS : no HD1:sc= -0.61 K(o=-0.61,f=-1.8) USER MOD Single : A 49 TYR OH : rot 180:sc= 0.24 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 52 CYS SG : rot -9:sc= -6.33! USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : B 10 ASN : amide:sc= 0.337 K(o=0.34,f=-4.4!) USER MOD Single : B 17 SER OG : rot -50:sc= 0.092 USER MOD Single : B 19 THR OG1 : rot 99:sc= 0.998 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : B 25 LYS NZ :NH3+ -134:sc= -4.26 (180deg=-6.19!) USER MOD Single : B 27 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.6!) USER MOD Single : B 34 GLN :FLIP amide:sc= -3.93! C(o=-5.3!,f=-3.9!) USER MOD Single : B 38 CYS SG : rot 160:sc= -2.98 USER MOD Single : B 40 SER OG : rot 180:sc= 0.0107 USER MOD Single : B 42 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-4.2!) USER MOD Single : B 44 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-3.5!) USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot -176:sc= 0.269 USER MOD Single : B 52 CYS SG : rot 137:sc= -2.55! USER MOD ----------------------------------------------------------------- ATOM 73 N GLU A 5 -16.618 1.522 -7.571 1.00 1.21 N ATOM 74 CA GLU A 5 -16.330 1.142 -6.165 1.00 0.96 C ATOM 75 C GLU A 5 -15.629 -0.193 -6.204 1.00 0.95 C ATOM 76 O GLU A 5 -14.666 -0.460 -5.515 1.00 0.82 O ATOM 77 CB GLU A 5 -17.608 0.945 -5.403 1.00 1.13 C ATOM 78 CG GLU A 5 -18.440 2.205 -5.451 1.00 1.56 C ATOM 79 CD GLU A 5 -19.862 1.861 -5.021 1.00 1.97 C ATOM 80 OE1 GLU A 5 -20.149 0.687 -4.858 1.00 2.36 O ATOM 81 OE2 GLU A 5 -20.605 2.810 -4.881 1.00 2.53 O ATOM 0 HA GLU A 5 -15.735 1.921 -5.688 1.00 0.96 H new ATOM 0 HB2 GLU A 5 -18.169 0.113 -5.828 1.00 1.13 H new ATOM 0 HB3 GLU A 5 -17.387 0.685 -4.368 1.00 1.13 H new ATOM 0 HG2 GLU A 5 -18.018 2.963 -4.792 1.00 1.56 H new ATOM 0 HG3 GLU A 5 -18.439 2.622 -6.458 1.00 1.56 H new ATOM 88 N LYS A 6 -16.166 -1.016 -7.045 1.00 1.22 N ATOM 89 CA LYS A 6 -15.601 -2.369 -7.123 1.00 1.36 C ATOM 90 C LYS A 6 -14.235 -2.291 -7.739 1.00 1.20 C ATOM 91 O LYS A 6 -13.360 -3.068 -7.418 1.00 1.18 O ATOM 92 CB LYS A 6 -16.583 -3.211 -7.923 1.00 1.75 C ATOM 93 CG LYS A 6 -17.993 -2.968 -7.292 1.00 2.49 C ATOM 94 CD LYS A 6 -17.891 -2.855 -5.749 1.00 2.98 C ATOM 95 CE LYS A 6 -19.279 -2.769 -5.137 1.00 3.67 C ATOM 96 NZ LYS A 6 -19.954 -4.080 -5.211 1.00 3.78 N ATOM 0 H LYS A 6 -16.951 -0.815 -7.665 1.00 1.22 H new ATOM 0 HA LYS A 6 -15.468 -2.833 -6.146 1.00 1.36 H new ATOM 0 HB2 LYS A 6 -16.574 -2.924 -8.974 1.00 1.75 H new ATOM 0 HB3 LYS A 6 -16.315 -4.267 -7.879 1.00 1.75 H new ATOM 0 HG2 LYS A 6 -18.427 -2.056 -7.700 1.00 2.49 H new ATOM 0 HG3 LYS A 6 -18.662 -3.786 -7.558 1.00 2.49 H new ATOM 0 HD2 LYS A 6 -17.362 -3.719 -5.348 1.00 2.98 H new ATOM 0 HD3 LYS A 6 -17.311 -1.972 -5.479 1.00 2.98 H new ATOM 0 HE2 LYS A 6 -19.206 -2.448 -4.098 1.00 3.67 H new ATOM 0 HE3 LYS A 6 -19.869 -2.018 -5.662 1.00 3.67 H new ATOM 0 HZ1 LYS A 6 -20.779 -4.082 -4.578 1.00 3.78 H new ATOM 0 HZ2 LYS A 6 -20.267 -4.255 -6.187 1.00 3.78 H new ATOM 0 HZ3 LYS A 6 -19.292 -4.828 -4.920 1.00 3.78 H new ATOM 110 N THR A 7 -14.060 -1.355 -8.610 1.00 1.23 N ATOM 111 CA THR A 7 -12.723 -1.253 -9.204 1.00 1.25 C ATOM 112 C THR A 7 -11.823 -0.661 -8.114 1.00 0.98 C ATOM 113 O THR A 7 -10.626 -0.859 -8.116 1.00 0.93 O ATOM 114 CB THR A 7 -12.857 -0.349 -10.405 1.00 1.53 C ATOM 115 OG1 THR A 7 -14.059 -0.830 -10.998 1.00 1.77 O ATOM 116 CG2 THR A 7 -11.769 -0.664 -11.446 1.00 1.82 C ATOM 0 H THR A 7 -14.757 -0.681 -8.926 1.00 1.23 H new ATOM 0 HA THR A 7 -12.296 -2.200 -9.535 1.00 1.25 H new ATOM 0 HB THR A 7 -12.813 0.705 -10.131 1.00 1.53 H new ATOM 0 HG1 THR A 7 -14.257 -0.309 -11.804 1.00 1.77 H new ATOM 0 HG21 THR A 7 -11.883 -0.001 -12.304 1.00 1.82 H new ATOM 0 HG22 THR A 7 -10.785 -0.515 -11.001 1.00 1.82 H new ATOM 0 HG23 THR A 7 -11.866 -1.700 -11.772 1.00 1.82 H new ATOM 124 N ALA A 8 -12.422 0.049 -7.198 1.00 0.87 N ATOM 125 CA ALA A 8 -11.599 0.670 -6.128 1.00 0.79 C ATOM 126 C ALA A 8 -11.040 -0.356 -5.162 1.00 0.62 C ATOM 127 O ALA A 8 -9.841 -0.424 -5.001 1.00 0.70 O ATOM 128 CB ALA A 8 -12.424 1.674 -5.316 1.00 0.81 C ATOM 0 H ALA A 8 -13.426 0.223 -7.145 1.00 0.87 H new ATOM 0 HA ALA A 8 -10.775 1.170 -6.637 1.00 0.79 H new ATOM 0 HB1 ALA A 8 -11.799 2.115 -4.539 1.00 0.81 H new ATOM 0 HB2 ALA A 8 -12.792 2.460 -5.975 1.00 0.81 H new ATOM 0 HB3 ALA A 8 -13.269 1.162 -4.855 1.00 0.81 H new ATOM 134 N LEU A 9 -11.861 -1.144 -4.522 1.00 0.59 N ATOM 135 CA LEU A 9 -11.215 -2.100 -3.582 1.00 0.73 C ATOM 136 C LEU A 9 -10.439 -3.112 -4.382 1.00 0.60 C ATOM 137 O LEU A 9 -9.463 -3.652 -3.906 1.00 0.61 O ATOM 138 CB LEU A 9 -12.225 -2.895 -2.710 1.00 1.09 C ATOM 139 CG LEU A 9 -12.994 -4.003 -3.453 1.00 1.65 C ATOM 140 CD1 LEU A 9 -13.734 -4.846 -2.414 1.00 1.96 C ATOM 141 CD2 LEU A 9 -14.041 -3.395 -4.356 1.00 2.37 C ATOM 0 H LEU A 9 -12.878 -1.172 -4.598 1.00 0.59 H new ATOM 0 HA LEU A 9 -10.588 -1.503 -2.919 1.00 0.73 H new ATOM 0 HB2 LEU A 9 -11.687 -3.344 -1.875 1.00 1.09 H new ATOM 0 HB3 LEU A 9 -12.945 -2.195 -2.286 1.00 1.09 H new ATOM 0 HG LEU A 9 -12.291 -4.595 -4.038 1.00 1.65 H new ATOM 0 HD11 LEU A 9 -14.287 -5.639 -2.916 1.00 1.96 H new ATOM 0 HD12 LEU A 9 -13.015 -5.287 -1.724 1.00 1.96 H new ATOM 0 HD13 LEU A 9 -14.428 -4.214 -1.860 1.00 1.96 H new ATOM 0 HD21 LEU A 9 -14.578 -4.188 -4.876 1.00 2.37 H new ATOM 0 HD22 LEU A 9 -14.743 -2.813 -3.759 1.00 2.37 H new ATOM 0 HD23 LEU A 9 -13.559 -2.745 -5.086 1.00 2.37 H new ATOM 153 N ASN A 10 -10.866 -3.366 -5.587 1.00 0.60 N ATOM 154 CA ASN A 10 -10.085 -4.366 -6.351 1.00 0.63 C ATOM 155 C ASN A 10 -8.739 -3.760 -6.609 1.00 0.57 C ATOM 156 O ASN A 10 -7.739 -4.445 -6.581 1.00 0.57 O ATOM 157 CB ASN A 10 -10.739 -4.685 -7.685 1.00 0.76 C ATOM 158 CG ASN A 10 -11.789 -5.772 -7.447 1.00 1.34 C ATOM 159 OD1 ASN A 10 -11.701 -6.846 -8.012 1.00 1.67 O ATOM 160 ND2 ASN A 10 -12.783 -5.556 -6.629 1.00 2.15 N ATOM 0 H ASN A 10 -11.674 -2.951 -6.052 1.00 0.60 H new ATOM 0 HA ASN A 10 -10.022 -5.293 -5.781 1.00 0.63 H new ATOM 0 HB2 ASN A 10 -11.203 -3.793 -8.106 1.00 0.76 H new ATOM 0 HB3 ASN A 10 -9.993 -5.026 -8.403 1.00 0.76 H new ATOM 0 HD21 ASN A 10 -13.478 -6.285 -6.468 1.00 2.15 H new ATOM 0 HD22 ASN A 10 -12.864 -4.659 -6.151 1.00 2.15 H new ATOM 167 N MET A 11 -8.747 -2.483 -6.852 1.00 0.60 N ATOM 168 CA MET A 11 -7.458 -1.812 -7.117 1.00 0.65 C ATOM 169 C MET A 11 -6.630 -1.936 -5.862 1.00 0.62 C ATOM 170 O MET A 11 -5.467 -2.267 -5.920 1.00 0.68 O ATOM 171 CB MET A 11 -7.689 -0.332 -7.449 1.00 0.77 C ATOM 172 CG MET A 11 -6.340 0.371 -7.634 1.00 1.18 C ATOM 173 SD MET A 11 -5.146 -0.385 -8.765 1.00 1.98 S ATOM 174 CE MET A 11 -5.879 0.178 -10.321 1.00 2.42 C ATOM 0 H MET A 11 -9.575 -1.888 -6.878 1.00 0.60 H new ATOM 0 HA MET A 11 -6.951 -2.270 -7.967 1.00 0.65 H new ATOM 0 HB2 MET A 11 -8.285 -0.242 -8.357 1.00 0.77 H new ATOM 0 HB3 MET A 11 -8.253 0.147 -6.649 1.00 0.77 H new ATOM 0 HG2 MET A 11 -6.535 1.386 -7.981 1.00 1.18 H new ATOM 0 HG3 MET A 11 -5.868 0.455 -6.655 1.00 1.18 H new ATOM 0 HE1 MET A 11 -5.283 -0.187 -11.157 1.00 2.42 H new ATOM 0 HE2 MET A 11 -6.895 -0.207 -10.404 1.00 2.42 H new ATOM 0 HE3 MET A 11 -5.901 1.268 -10.340 1.00 2.42 H new ATOM 184 N ALA A 12 -7.252 -1.672 -4.752 1.00 0.58 N ATOM 185 CA ALA A 12 -6.508 -1.755 -3.469 1.00 0.62 C ATOM 186 C ALA A 12 -5.961 -3.153 -3.296 1.00 0.56 C ATOM 187 O ALA A 12 -4.916 -3.354 -2.713 1.00 0.57 O ATOM 188 CB ALA A 12 -7.430 -1.450 -2.299 1.00 0.67 C ATOM 0 H ALA A 12 -8.233 -1.405 -4.676 1.00 0.58 H new ATOM 0 HA ALA A 12 -5.697 -1.027 -3.491 1.00 0.62 H new ATOM 0 HB1 ALA A 12 -6.869 -1.515 -1.367 1.00 0.67 H new ATOM 0 HB2 ALA A 12 -7.836 -0.444 -2.408 1.00 0.67 H new ATOM 0 HB3 ALA A 12 -8.247 -2.171 -2.282 1.00 0.67 H new ATOM 194 N ARG A 13 -6.689 -4.096 -3.812 1.00 0.53 N ATOM 195 CA ARG A 13 -6.223 -5.491 -3.674 1.00 0.50 C ATOM 196 C ARG A 13 -4.945 -5.569 -4.491 1.00 0.49 C ATOM 197 O ARG A 13 -3.988 -6.199 -4.093 1.00 0.51 O ATOM 198 CB ARG A 13 -7.276 -6.447 -4.240 1.00 0.51 C ATOM 199 CG ARG A 13 -6.921 -7.895 -3.899 1.00 0.61 C ATOM 200 CD ARG A 13 -7.821 -8.811 -4.748 1.00 1.07 C ATOM 201 NE ARG A 13 -9.221 -8.305 -4.674 1.00 1.86 N ATOM 202 CZ ARG A 13 -9.883 -8.073 -5.787 1.00 2.52 C ATOM 203 NH1 ARG A 13 -9.261 -7.471 -6.781 1.00 3.08 N ATOM 204 NH2 ARG A 13 -11.142 -8.455 -5.854 1.00 3.15 N ATOM 0 H ARG A 13 -7.568 -3.964 -4.313 1.00 0.53 H new ATOM 0 HA ARG A 13 -6.055 -5.770 -2.634 1.00 0.50 H new ATOM 0 HB2 ARG A 13 -8.256 -6.201 -3.832 1.00 0.51 H new ATOM 0 HB3 ARG A 13 -7.341 -6.327 -5.321 1.00 0.51 H new ATOM 0 HG2 ARG A 13 -5.870 -8.091 -4.110 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -7.074 -8.086 -2.837 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -7.478 -8.825 -5.783 1.00 1.07 H new ATOM 0 HD3 ARG A 13 -7.770 -9.836 -4.382 1.00 1.07 H new ATOM 0 HE ARG A 13 -9.662 -8.140 -3.769 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -8.285 -7.194 -6.679 1.00 3.08 H new ATOM 0 HH12 ARG A 13 -9.756 -7.282 -7.652 1.00 3.08 H new ATOM 0 HH21 ARG A 13 -11.578 -8.917 -5.056 1.00 3.15 H new ATOM 0 HH22 ARG A 13 -11.681 -8.289 -6.704 1.00 3.15 H new ATOM 218 N PHE A 14 -4.964 -4.918 -5.617 1.00 0.52 N ATOM 219 CA PHE A 14 -3.758 -4.962 -6.478 1.00 0.54 C ATOM 220 C PHE A 14 -2.656 -4.132 -5.860 1.00 0.57 C ATOM 221 O PHE A 14 -1.495 -4.364 -6.130 1.00 0.59 O ATOM 222 CB PHE A 14 -4.074 -4.404 -7.856 1.00 0.62 C ATOM 223 CG PHE A 14 -5.340 -5.074 -8.403 1.00 1.17 C ATOM 224 CD1 PHE A 14 -5.657 -6.394 -8.120 1.00 2.02 C ATOM 225 CD2 PHE A 14 -6.191 -4.335 -9.192 1.00 1.81 C ATOM 226 CE1 PHE A 14 -6.812 -6.952 -8.627 1.00 2.69 C ATOM 227 CE2 PHE A 14 -7.347 -4.890 -9.700 1.00 2.50 C ATOM 228 CZ PHE A 14 -7.660 -6.203 -9.415 1.00 2.71 C ATOM 0 H PHE A 14 -5.746 -4.368 -5.972 1.00 0.52 H new ATOM 0 HA PHE A 14 -3.437 -6.000 -6.569 1.00 0.54 H new ATOM 0 HB2 PHE A 14 -4.217 -3.325 -7.799 1.00 0.62 H new ATOM 0 HB3 PHE A 14 -3.237 -4.579 -8.531 1.00 0.62 H new ATOM 0 HD1 PHE A 14 -4.999 -6.986 -7.502 1.00 2.02 H new ATOM 0 HD2 PHE A 14 -5.951 -3.306 -9.417 1.00 1.81 H new ATOM 0 HE1 PHE A 14 -7.053 -7.981 -8.406 1.00 2.69 H new ATOM 0 HE2 PHE A 14 -8.005 -4.298 -10.319 1.00 2.50 H new ATOM 0 HZ PHE A 14 -8.565 -6.642 -9.807 1.00 2.71 H new ATOM 238 N ILE A 15 -3.007 -3.176 -5.049 1.00 0.58 N ATOM 239 CA ILE A 15 -1.918 -2.379 -4.439 1.00 0.63 C ATOM 240 C ILE A 15 -1.193 -3.370 -3.548 1.00 0.59 C ATOM 241 O ILE A 15 0.014 -3.348 -3.418 1.00 0.62 O ATOM 242 CB ILE A 15 -2.512 -1.222 -3.604 1.00 0.69 C ATOM 243 CG1 ILE A 15 -3.244 -0.255 -4.558 1.00 0.79 C ATOM 244 CG2 ILE A 15 -1.374 -0.469 -2.917 1.00 0.82 C ATOM 245 CD1 ILE A 15 -3.817 0.947 -3.790 1.00 0.93 C ATOM 0 H ILE A 15 -3.960 -2.921 -4.791 1.00 0.58 H new ATOM 0 HA ILE A 15 -1.257 -1.923 -5.176 1.00 0.63 H new ATOM 0 HB ILE A 15 -3.202 -1.613 -2.857 1.00 0.69 H new ATOM 0 HG12 ILE A 15 -2.555 0.095 -5.326 1.00 0.79 H new ATOM 0 HG13 ILE A 15 -4.050 -0.783 -5.069 1.00 0.79 H new ATOM 0 HG21 ILE A 15 -1.784 0.349 -2.325 1.00 0.82 H new ATOM 0 HG22 ILE A 15 -0.829 -1.151 -2.264 1.00 0.82 H new ATOM 0 HG23 ILE A 15 -0.696 -0.068 -3.670 1.00 0.82 H new ATOM 0 HD11 ILE A 15 -4.328 1.613 -4.485 1.00 0.93 H new ATOM 0 HD12 ILE A 15 -4.524 0.595 -3.039 1.00 0.93 H new ATOM 0 HD13 ILE A 15 -3.006 1.486 -3.301 1.00 0.93 H new ATOM 257 N ARG A 16 -1.956 -4.232 -2.946 1.00 0.58 N ATOM 258 CA ARG A 16 -1.300 -5.220 -2.066 1.00 0.58 C ATOM 259 C ARG A 16 -0.421 -6.087 -2.954 1.00 0.55 C ATOM 260 O ARG A 16 0.664 -6.474 -2.569 1.00 0.56 O ATOM 261 CB ARG A 16 -2.348 -6.076 -1.383 1.00 0.60 C ATOM 262 CG ARG A 16 -1.640 -6.934 -0.350 1.00 0.82 C ATOM 263 CD ARG A 16 -2.699 -7.738 0.379 1.00 1.04 C ATOM 264 NE ARG A 16 -3.494 -8.501 -0.618 1.00 1.57 N ATOM 265 CZ ARG A 16 -4.753 -8.694 -0.314 1.00 2.08 C ATOM 266 NH1 ARG A 16 -5.595 -7.708 -0.541 1.00 2.68 N ATOM 267 NH2 ARG A 16 -5.102 -9.851 0.206 1.00 2.60 N ATOM 0 H ARG A 16 -2.971 -4.294 -3.022 1.00 0.58 H new ATOM 0 HA ARG A 16 -0.710 -4.727 -1.294 1.00 0.58 H new ATOM 0 HB2 ARG A 16 -3.103 -5.450 -0.908 1.00 0.60 H new ATOM 0 HB3 ARG A 16 -2.865 -6.702 -2.111 1.00 0.60 H new ATOM 0 HG2 ARG A 16 -0.919 -7.596 -0.830 1.00 0.82 H new ATOM 0 HG3 ARG A 16 -1.083 -6.310 0.349 1.00 0.82 H new ATOM 0 HD2 ARG A 16 -2.232 -8.419 1.090 1.00 1.04 H new ATOM 0 HD3 ARG A 16 -3.348 -7.075 0.951 1.00 1.04 H new ATOM 0 HE ARG A 16 -3.085 -8.852 -1.484 1.00 1.57 H new ATOM 0 HH11 ARG A 16 -5.259 -6.832 -0.940 1.00 2.68 H new ATOM 0 HH12 ARG A 16 -6.584 -7.820 -0.317 1.00 2.68 H new ATOM 0 HH21 ARG A 16 -4.398 -10.572 0.364 1.00 2.60 H new ATOM 0 HH22 ARG A 16 -6.076 -10.027 0.452 1.00 2.60 H new ATOM 281 N SER A 17 -0.901 -6.379 -4.126 1.00 0.57 N ATOM 282 CA SER A 17 -0.076 -7.213 -5.024 1.00 0.60 C ATOM 283 C SER A 17 1.233 -6.471 -5.289 1.00 0.56 C ATOM 284 O SER A 17 2.283 -7.076 -5.353 1.00 0.55 O ATOM 285 CB SER A 17 -0.858 -7.433 -6.302 1.00 0.68 C ATOM 286 OG SER A 17 -2.136 -7.795 -5.794 1.00 0.72 O ATOM 0 H SER A 17 -1.806 -6.084 -4.492 1.00 0.57 H new ATOM 0 HA SER A 17 0.158 -8.183 -4.585 1.00 0.60 H new ATOM 0 HB2 SER A 17 -0.901 -6.534 -6.917 1.00 0.68 H new ATOM 0 HB3 SER A 17 -0.424 -8.220 -6.918 1.00 0.68 H new ATOM 0 HG SER A 17 -2.700 -8.119 -6.527 1.00 0.72 H new ATOM 292 N GLN A 18 1.152 -5.177 -5.437 1.00 0.57 N ATOM 293 CA GLN A 18 2.418 -4.431 -5.682 1.00 0.57 C ATOM 294 C GLN A 18 3.311 -4.660 -4.472 1.00 0.51 C ATOM 295 O GLN A 18 4.505 -4.843 -4.598 1.00 0.51 O ATOM 296 CB GLN A 18 2.139 -2.923 -5.834 1.00 0.65 C ATOM 297 CG GLN A 18 3.464 -2.188 -6.068 1.00 0.91 C ATOM 298 CD GLN A 18 3.170 -0.732 -6.439 1.00 1.11 C ATOM 299 OE1 GLN A 18 3.950 -0.092 -7.115 1.00 1.80 O ATOM 300 NE2 GLN A 18 2.066 -0.173 -6.024 1.00 1.05 N ATOM 0 H GLN A 18 0.298 -4.621 -5.401 1.00 0.57 H new ATOM 0 HA GLN A 18 2.891 -4.780 -6.600 1.00 0.57 H new ATOM 0 HB2 GLN A 18 1.460 -2.749 -6.669 1.00 0.65 H new ATOM 0 HB3 GLN A 18 1.649 -2.539 -4.939 1.00 0.65 H new ATOM 0 HG2 GLN A 18 4.081 -2.230 -5.170 1.00 0.91 H new ATOM 0 HG3 GLN A 18 4.027 -2.673 -6.865 1.00 0.91 H new ATOM 0 HE21 GLN A 18 1.407 -0.705 -5.456 1.00 1.05 H new ATOM 0 HE22 GLN A 18 1.862 0.796 -6.268 1.00 1.05 H new ATOM 309 N THR A 19 2.701 -4.644 -3.325 1.00 0.48 N ATOM 310 CA THR A 19 3.490 -4.858 -2.094 1.00 0.44 C ATOM 311 C THR A 19 4.161 -6.230 -2.168 1.00 0.43 C ATOM 312 O THR A 19 5.232 -6.422 -1.627 1.00 0.46 O ATOM 313 CB THR A 19 2.522 -4.760 -0.928 1.00 0.46 C ATOM 314 OG1 THR A 19 1.774 -3.598 -1.264 1.00 0.56 O ATOM 315 CG2 THR A 19 3.270 -4.373 0.351 1.00 0.48 C ATOM 0 H THR A 19 1.701 -4.494 -3.190 1.00 0.48 H new ATOM 0 HA THR A 19 4.280 -4.117 -1.972 1.00 0.44 H new ATOM 0 HB THR A 19 1.969 -5.686 -0.772 1.00 0.46 H new ATOM 0 HG1 THR A 19 1.102 -3.430 -0.571 1.00 0.56 H new ATOM 0 HG21 THR A 19 2.564 -4.306 1.179 1.00 0.48 H new ATOM 0 HG22 THR A 19 4.022 -5.129 0.575 1.00 0.48 H new ATOM 0 HG23 THR A 19 3.756 -3.408 0.210 1.00 0.48 H new ATOM 323 N LEU A 20 3.521 -7.146 -2.835 1.00 0.45 N ATOM 324 CA LEU A 20 4.131 -8.495 -2.942 1.00 0.51 C ATOM 325 C LEU A 20 5.403 -8.262 -3.741 1.00 0.53 C ATOM 326 O LEU A 20 6.488 -8.537 -3.281 1.00 0.57 O ATOM 327 CB LEU A 20 3.167 -9.442 -3.699 1.00 0.57 C ATOM 328 CG LEU A 20 3.511 -10.953 -3.539 1.00 0.69 C ATOM 329 CD1 LEU A 20 4.933 -11.277 -4.029 1.00 1.31 C ATOM 330 CD2 LEU A 20 3.375 -11.391 -2.068 1.00 1.25 C ATOM 0 H LEU A 20 2.622 -7.024 -3.301 1.00 0.45 H new ATOM 0 HA LEU A 20 4.333 -8.957 -1.976 1.00 0.51 H new ATOM 0 HB2 LEU A 20 2.151 -9.271 -3.343 1.00 0.57 H new ATOM 0 HB3 LEU A 20 3.180 -9.187 -4.759 1.00 0.57 H new ATOM 0 HG LEU A 20 2.800 -11.502 -4.156 1.00 0.69 H new ATOM 0 HD11 LEU A 20 5.129 -12.341 -3.898 1.00 1.31 H new ATOM 0 HD12 LEU A 20 5.022 -11.018 -5.084 1.00 1.31 H new ATOM 0 HD13 LEU A 20 5.657 -10.701 -3.452 1.00 1.31 H new ATOM 0 HD21 LEU A 20 3.620 -12.449 -1.979 1.00 1.25 H new ATOM 0 HD22 LEU A 20 4.058 -10.808 -1.450 1.00 1.25 H new ATOM 0 HD23 LEU A 20 2.351 -11.226 -1.732 1.00 1.25 H new ATOM 342 N THR A 21 5.220 -7.740 -4.918 1.00 0.59 N ATOM 343 CA THR A 21 6.375 -7.482 -5.810 1.00 0.70 C ATOM 344 C THR A 21 7.440 -6.642 -5.093 1.00 0.63 C ATOM 345 O THR A 21 8.588 -6.607 -5.497 1.00 0.69 O ATOM 346 CB THR A 21 5.805 -6.777 -7.028 1.00 0.85 C ATOM 347 OG1 THR A 21 4.638 -7.540 -7.316 1.00 0.87 O ATOM 348 CG2 THR A 21 6.693 -6.981 -8.265 1.00 1.02 C ATOM 0 H THR A 21 4.312 -7.480 -5.302 1.00 0.59 H new ATOM 0 HA THR A 21 6.881 -8.402 -6.103 1.00 0.70 H new ATOM 0 HB THR A 21 5.679 -5.712 -6.835 1.00 0.85 H new ATOM 0 HG1 THR A 21 4.185 -7.162 -8.099 1.00 0.87 H new ATOM 0 HG21 THR A 21 6.254 -6.463 -9.117 1.00 1.02 H new ATOM 0 HG22 THR A 21 7.687 -6.580 -8.069 1.00 1.02 H new ATOM 0 HG23 THR A 21 6.768 -8.045 -8.487 1.00 1.02 H new ATOM 356 N LEU A 22 7.046 -5.973 -4.048 1.00 0.54 N ATOM 357 CA LEU A 22 8.041 -5.159 -3.316 1.00 0.52 C ATOM 358 C LEU A 22 8.795 -6.028 -2.339 1.00 0.45 C ATOM 359 O LEU A 22 9.974 -5.824 -2.145 1.00 0.49 O ATOM 360 CB LEU A 22 7.342 -4.045 -2.546 1.00 0.59 C ATOM 361 CG LEU A 22 7.141 -2.855 -3.487 1.00 0.89 C ATOM 362 CD1 LEU A 22 6.117 -1.887 -2.893 1.00 1.71 C ATOM 363 CD2 LEU A 22 8.475 -2.104 -3.562 1.00 1.25 C ATOM 0 H LEU A 22 6.096 -5.956 -3.677 1.00 0.54 H new ATOM 0 HA LEU A 22 8.734 -4.726 -4.037 1.00 0.52 H new ATOM 0 HB2 LEU A 22 6.382 -4.393 -2.165 1.00 0.59 H new ATOM 0 HB3 LEU A 22 7.939 -3.749 -1.683 1.00 0.59 H new ATOM 0 HG LEU A 22 6.802 -3.208 -4.461 1.00 0.89 H new ATOM 0 HD11 LEU A 22 5.980 -1.043 -3.569 1.00 1.71 H new ATOM 0 HD12 LEU A 22 5.166 -2.402 -2.757 1.00 1.71 H new ATOM 0 HD13 LEU A 22 6.475 -1.525 -1.929 1.00 1.71 H new ATOM 0 HD21 LEU A 22 8.372 -1.246 -4.226 1.00 1.25 H new ATOM 0 HD22 LEU A 22 8.756 -1.761 -2.566 1.00 1.25 H new ATOM 0 HD23 LEU A 22 9.247 -2.770 -3.947 1.00 1.25 H new ATOM 375 N LEU A 23 8.106 -6.966 -1.758 1.00 0.43 N ATOM 376 CA LEU A 23 8.768 -7.851 -0.767 1.00 0.44 C ATOM 377 C LEU A 23 10.050 -8.424 -1.323 1.00 0.48 C ATOM 378 O LEU A 23 11.101 -8.203 -0.755 1.00 0.52 O ATOM 379 CB LEU A 23 7.830 -8.998 -0.393 1.00 0.53 C ATOM 380 CG LEU A 23 8.566 -10.047 0.465 1.00 0.73 C ATOM 381 CD1 LEU A 23 9.274 -9.389 1.676 1.00 1.08 C ATOM 382 CD2 LEU A 23 7.533 -11.060 0.972 1.00 1.05 C ATOM 0 H LEU A 23 7.118 -7.157 -1.926 1.00 0.43 H new ATOM 0 HA LEU A 23 9.003 -7.256 0.115 1.00 0.44 H new ATOM 0 HB2 LEU A 23 6.973 -8.609 0.156 1.00 0.53 H new ATOM 0 HB3 LEU A 23 7.443 -9.467 -1.297 1.00 0.53 H new ATOM 0 HG LEU A 23 9.327 -10.534 -0.145 1.00 0.73 H new ATOM 0 HD11 LEU A 23 9.783 -10.155 2.260 1.00 1.08 H new ATOM 0 HD12 LEU A 23 10.002 -8.660 1.320 1.00 1.08 H new ATOM 0 HD13 LEU A 23 8.535 -8.888 2.301 1.00 1.08 H new ATOM 0 HD21 LEU A 23 8.031 -11.813 1.582 1.00 1.05 H new ATOM 0 HD22 LEU A 23 6.783 -10.545 1.572 1.00 1.05 H new ATOM 0 HD23 LEU A 23 7.050 -11.543 0.123 1.00 1.05 H new ATOM 394 N GLU A 24 9.921 -9.138 -2.404 1.00 0.57 N ATOM 395 CA GLU A 24 11.122 -9.749 -3.023 1.00 0.71 C ATOM 396 C GLU A 24 12.233 -8.726 -3.040 1.00 0.67 C ATOM 397 O GLU A 24 13.297 -8.941 -2.500 1.00 0.69 O ATOM 398 CB GLU A 24 10.838 -10.177 -4.467 1.00 0.90 C ATOM 399 CG GLU A 24 9.904 -11.384 -4.503 1.00 1.37 C ATOM 400 CD GLU A 24 8.508 -10.937 -4.116 1.00 1.52 C ATOM 401 OE1 GLU A 24 7.907 -10.321 -4.976 1.00 1.84 O ATOM 402 OE2 GLU A 24 8.139 -11.233 -2.993 1.00 1.83 O ATOM 0 H GLU A 24 9.039 -9.323 -2.882 1.00 0.57 H new ATOM 0 HA GLU A 24 11.403 -10.627 -2.442 1.00 0.71 H new ATOM 0 HB2 GLU A 24 10.389 -9.348 -5.015 1.00 0.90 H new ATOM 0 HB3 GLU A 24 11.774 -10.421 -4.969 1.00 0.90 H new ATOM 0 HG2 GLU A 24 9.896 -11.825 -5.500 1.00 1.37 H new ATOM 0 HG3 GLU A 24 10.257 -12.154 -3.817 1.00 1.37 H new ATOM 409 N LYS A 25 11.936 -7.622 -3.659 1.00 0.67 N ATOM 410 CA LYS A 25 12.967 -6.557 -3.758 1.00 0.72 C ATOM 411 C LYS A 25 13.563 -6.234 -2.398 1.00 0.68 C ATOM 412 O LYS A 25 14.762 -6.159 -2.263 1.00 0.75 O ATOM 413 CB LYS A 25 12.366 -5.273 -4.313 1.00 0.81 C ATOM 414 CG LYS A 25 11.686 -5.538 -5.663 1.00 0.95 C ATOM 415 CD LYS A 25 11.081 -4.214 -6.154 1.00 1.36 C ATOM 416 CE LYS A 25 10.250 -4.478 -7.420 1.00 1.57 C ATOM 417 NZ LYS A 25 11.063 -5.200 -8.436 1.00 1.86 N ATOM 0 H LYS A 25 11.038 -7.412 -4.095 1.00 0.67 H new ATOM 0 HA LYS A 25 13.743 -6.935 -4.423 1.00 0.72 H new ATOM 0 HB2 LYS A 25 11.641 -4.869 -3.607 1.00 0.81 H new ATOM 0 HB3 LYS A 25 13.146 -4.522 -4.433 1.00 0.81 H new ATOM 0 HG2 LYS A 25 12.408 -5.919 -6.386 1.00 0.95 H new ATOM 0 HG3 LYS A 25 10.910 -6.296 -5.557 1.00 0.95 H new ATOM 0 HD2 LYS A 25 10.454 -3.777 -5.377 1.00 1.36 H new ATOM 0 HD3 LYS A 25 11.872 -3.495 -6.367 1.00 1.36 H new ATOM 0 HE2 LYS A 25 9.368 -5.066 -7.167 1.00 1.57 H new ATOM 0 HE3 LYS A 25 9.896 -3.534 -7.833 1.00 1.57 H new ATOM 0 HZ1 LYS A 25 10.598 -5.134 -9.364 1.00 1.86 H new ATOM 0 HZ2 LYS A 25 12.009 -4.772 -8.492 1.00 1.86 H new ATOM 0 HZ3 LYS A 25 11.151 -6.200 -8.163 1.00 1.86 H new ATOM 431 N LEU A 26 12.735 -6.052 -1.415 1.00 0.65 N ATOM 432 CA LEU A 26 13.284 -5.700 -0.080 1.00 0.67 C ATOM 433 C LEU A 26 14.260 -6.753 0.399 1.00 0.65 C ATOM 434 O LEU A 26 15.224 -6.442 1.068 1.00 0.73 O ATOM 435 CB LEU A 26 12.141 -5.583 0.925 1.00 0.68 C ATOM 436 CG LEU A 26 11.205 -4.423 0.512 1.00 0.80 C ATOM 437 CD1 LEU A 26 9.947 -4.471 1.384 1.00 1.21 C ATOM 438 CD2 LEU A 26 11.902 -3.056 0.698 1.00 1.22 C ATOM 0 H LEU A 26 11.720 -6.129 -1.473 1.00 0.65 H new ATOM 0 HA LEU A 26 13.810 -4.749 -0.165 1.00 0.67 H new ATOM 0 HB2 LEU A 26 11.582 -6.518 0.966 1.00 0.68 H new ATOM 0 HB3 LEU A 26 12.538 -5.405 1.924 1.00 0.68 H new ATOM 0 HG LEU A 26 10.947 -4.536 -0.541 1.00 0.80 H new ATOM 0 HD11 LEU A 26 9.278 -3.658 1.103 1.00 1.21 H new ATOM 0 HD12 LEU A 26 9.440 -5.425 1.239 1.00 1.21 H new ATOM 0 HD13 LEU A 26 10.227 -4.365 2.432 1.00 1.21 H new ATOM 0 HD21 LEU A 26 11.222 -2.258 0.400 1.00 1.22 H new ATOM 0 HD22 LEU A 26 12.177 -2.927 1.745 1.00 1.22 H new ATOM 0 HD23 LEU A 26 12.799 -3.018 0.080 1.00 1.22 H new ATOM 450 N ASN A 27 14.003 -7.976 0.054 1.00 0.60 N ATOM 451 CA ASN A 27 14.935 -9.031 0.518 1.00 0.66 C ATOM 452 C ASN A 27 16.262 -8.904 -0.194 1.00 0.68 C ATOM 453 O ASN A 27 17.296 -8.825 0.439 1.00 0.79 O ATOM 454 CB ASN A 27 14.369 -10.408 0.225 1.00 0.76 C ATOM 455 CG ASN A 27 13.093 -10.603 1.036 1.00 1.02 C ATOM 456 OD1 ASN A 27 11.939 -10.475 0.438 1.00 1.70 O flip ATOM 457 ND2 ASN A 27 13.132 -10.870 2.221 1.00 1.70 N flip ATOM 0 H ASN A 27 13.213 -8.287 -0.512 1.00 0.60 H new ATOM 0 HA ASN A 27 15.071 -8.908 1.592 1.00 0.66 H new ATOM 0 HB2 ASN A 27 14.158 -10.509 -0.839 1.00 0.76 H new ATOM 0 HB3 ASN A 27 15.098 -11.177 0.480 1.00 0.76 H new ATOM 0 HD21 ASN A 27 14.031 -10.971 2.692 1.00 1.70 H new ATOM 0 HD22 ASN A 27 12.265 -10.993 2.745 1.00 1.70 H new ATOM 464 N GLU A 28 16.213 -8.880 -1.494 1.00 0.70 N ATOM 465 CA GLU A 28 17.489 -8.781 -2.251 1.00 0.83 C ATOM 466 C GLU A 28 18.194 -7.462 -1.953 1.00 0.86 C ATOM 467 O GLU A 28 19.399 -7.355 -2.054 1.00 0.97 O ATOM 468 CB GLU A 28 17.226 -8.844 -3.758 1.00 1.00 C ATOM 469 CG GLU A 28 16.060 -9.787 -4.080 1.00 1.12 C ATOM 470 CD GLU A 28 16.251 -11.109 -3.348 1.00 1.86 C ATOM 471 OE1 GLU A 28 17.341 -11.639 -3.465 1.00 2.61 O ATOM 472 OE2 GLU A 28 15.288 -11.503 -2.714 1.00 2.24 O ATOM 0 H GLU A 28 15.363 -8.924 -2.057 1.00 0.70 H new ATOM 0 HA GLU A 28 18.116 -9.617 -1.942 1.00 0.83 H new ATOM 0 HB2 GLU A 28 17.003 -7.845 -4.133 1.00 1.00 H new ATOM 0 HB3 GLU A 28 18.125 -9.184 -4.273 1.00 1.00 H new ATOM 0 HG2 GLU A 28 15.117 -9.329 -3.783 1.00 1.12 H new ATOM 0 HG3 GLU A 28 16.006 -9.960 -5.155 1.00 1.12 H new ATOM 479 N LEU A 29 17.421 -6.480 -1.591 1.00 0.84 N ATOM 480 CA LEU A 29 18.019 -5.150 -1.304 1.00 0.98 C ATOM 481 C LEU A 29 18.401 -5.046 0.160 1.00 1.03 C ATOM 482 O LEU A 29 18.657 -3.957 0.632 1.00 1.19 O ATOM 483 CB LEU A 29 17.014 -4.053 -1.630 1.00 1.02 C ATOM 484 CG LEU A 29 16.624 -4.085 -3.126 1.00 1.07 C ATOM 485 CD1 LEU A 29 15.400 -3.179 -3.309 1.00 1.79 C ATOM 486 CD2 LEU A 29 17.774 -3.540 -3.984 1.00 1.43 C ATOM 0 H LEU A 29 16.409 -6.539 -1.482 1.00 0.84 H new ATOM 0 HA LEU A 29 18.911 -5.033 -1.919 1.00 0.98 H new ATOM 0 HB2 LEU A 29 16.122 -4.177 -1.015 1.00 1.02 H new ATOM 0 HB3 LEU A 29 17.439 -3.080 -1.382 1.00 1.02 H new ATOM 0 HG LEU A 29 16.409 -5.109 -3.432 1.00 1.07 H new ATOM 0 HD11 LEU A 29 15.100 -3.180 -4.357 1.00 1.79 H new ATOM 0 HD12 LEU A 29 14.578 -3.549 -2.696 1.00 1.79 H new ATOM 0 HD13 LEU A 29 15.651 -2.163 -3.005 1.00 1.79 H new ATOM 0 HD21 LEU A 29 17.488 -3.567 -5.035 1.00 1.43 H new ATOM 0 HD22 LEU A 29 17.989 -2.512 -3.693 1.00 1.43 H new ATOM 0 HD23 LEU A 29 18.662 -4.153 -3.834 1.00 1.43 H new ATOM 498 N ASP A 30 18.422 -6.171 0.822 1.00 0.98 N ATOM 499 CA ASP A 30 18.784 -6.219 2.267 1.00 1.11 C ATOM 500 C ASP A 30 17.999 -5.170 3.012 1.00 1.16 C ATOM 501 O ASP A 30 18.498 -4.150 3.451 1.00 1.63 O ATOM 502 CB ASP A 30 20.268 -5.936 2.505 1.00 1.35 C ATOM 503 CG ASP A 30 20.490 -5.980 4.020 1.00 1.82 C ATOM 504 OD1 ASP A 30 19.845 -6.797 4.655 1.00 2.45 O ATOM 505 OD2 ASP A 30 21.293 -5.184 4.478 1.00 2.23 O ATOM 0 H ASP A 30 18.198 -7.078 0.412 1.00 0.98 H new ATOM 0 HA ASP A 30 18.556 -7.225 2.619 1.00 1.11 H new ATOM 0 HB2 ASP A 30 20.888 -6.678 2.002 1.00 1.35 H new ATOM 0 HB3 ASP A 30 20.545 -4.962 2.102 1.00 1.35 H new ATOM 510 N ALA A 31 16.746 -5.462 3.124 1.00 0.84 N ATOM 511 CA ALA A 31 15.838 -4.545 3.851 1.00 0.87 C ATOM 512 C ALA A 31 14.955 -5.473 4.644 1.00 0.76 C ATOM 513 O ALA A 31 13.746 -5.424 4.546 1.00 0.75 O ATOM 514 CB ALA A 31 15.006 -3.730 2.864 1.00 0.89 C ATOM 0 H ALA A 31 16.306 -6.299 2.743 1.00 0.84 H new ATOM 0 HA ALA A 31 16.368 -3.827 4.477 1.00 0.87 H new ATOM 0 HB1 ALA A 31 14.343 -3.061 3.413 1.00 0.89 H new ATOM 0 HB2 ALA A 31 15.668 -3.144 2.227 1.00 0.89 H new ATOM 0 HB3 ALA A 31 14.411 -4.403 2.247 1.00 0.89 H new ATOM 520 N ASP A 32 15.616 -6.298 5.407 1.00 0.85 N ATOM 521 CA ASP A 32 14.908 -7.293 6.264 1.00 0.87 C ATOM 522 C ASP A 32 13.891 -6.582 7.122 1.00 0.79 C ATOM 523 O ASP A 32 12.801 -7.070 7.338 1.00 0.74 O ATOM 524 CB ASP A 32 15.880 -8.002 7.198 1.00 1.11 C ATOM 525 CG ASP A 32 16.528 -6.952 8.097 1.00 2.05 C ATOM 526 OD1 ASP A 32 17.340 -6.220 7.560 1.00 2.83 O ATOM 527 OD2 ASP A 32 16.185 -6.923 9.263 1.00 2.57 O ATOM 0 H ASP A 32 16.633 -6.326 5.475 1.00 0.85 H new ATOM 0 HA ASP A 32 14.433 -8.021 5.606 1.00 0.87 H new ATOM 0 HB2 ASP A 32 15.356 -8.746 7.798 1.00 1.11 H new ATOM 0 HB3 ASP A 32 16.640 -8.533 6.624 1.00 1.11 H new ATOM 532 N GLU A 33 14.266 -5.439 7.601 1.00 0.86 N ATOM 533 CA GLU A 33 13.310 -4.697 8.446 1.00 0.90 C ATOM 534 C GLU A 33 12.071 -4.406 7.620 1.00 0.78 C ATOM 535 O GLU A 33 10.952 -4.519 8.074 1.00 0.79 O ATOM 536 CB GLU A 33 13.978 -3.394 8.910 1.00 1.07 C ATOM 537 CG GLU A 33 14.552 -2.669 7.689 1.00 1.58 C ATOM 538 CD GLU A 33 15.131 -1.345 8.129 1.00 1.74 C ATOM 539 OE1 GLU A 33 15.970 -1.391 9.009 1.00 2.15 O ATOM 540 OE2 GLU A 33 14.691 -0.372 7.545 1.00 2.11 O ATOM 0 H GLU A 33 15.172 -4.995 7.449 1.00 0.86 H new ATOM 0 HA GLU A 33 13.023 -5.276 9.324 1.00 0.90 H new ATOM 0 HB2 GLU A 33 13.253 -2.759 9.419 1.00 1.07 H new ATOM 0 HB3 GLU A 33 14.770 -3.611 9.627 1.00 1.07 H new ATOM 0 HG2 GLU A 33 15.323 -3.279 7.217 1.00 1.58 H new ATOM 0 HG3 GLU A 33 13.772 -2.510 6.945 1.00 1.58 H new ATOM 547 N GLN A 34 12.305 -4.039 6.397 1.00 0.71 N ATOM 548 CA GLN A 34 11.151 -3.718 5.545 1.00 0.67 C ATOM 549 C GLN A 34 10.477 -4.999 5.145 1.00 0.57 C ATOM 550 O GLN A 34 9.368 -4.955 4.664 1.00 0.53 O ATOM 551 CB GLN A 34 11.612 -2.977 4.299 1.00 0.72 C ATOM 552 CG GLN A 34 12.347 -1.707 4.717 1.00 0.88 C ATOM 553 CD GLN A 34 11.425 -0.957 5.677 1.00 1.49 C ATOM 554 OE1 GLN A 34 10.333 -0.573 5.310 1.00 2.26 O ATOM 555 NE2 GLN A 34 11.811 -0.733 6.903 1.00 1.80 N ATOM 0 H GLN A 34 13.224 -3.951 5.964 1.00 0.71 H new ATOM 0 HA GLN A 34 10.456 -3.083 6.095 1.00 0.67 H new ATOM 0 HB2 GLN A 34 12.268 -3.613 3.704 1.00 0.72 H new ATOM 0 HB3 GLN A 34 10.756 -2.727 3.672 1.00 0.72 H new ATOM 0 HG2 GLN A 34 13.293 -1.950 5.201 1.00 0.88 H new ATOM 0 HG3 GLN A 34 12.582 -1.093 3.848 1.00 0.88 H new ATOM 0 HE21 GLN A 34 12.727 -1.054 7.216 1.00 1.80 H new ATOM 0 HE22 GLN A 34 11.196 -0.237 7.549 1.00 1.80 H new ATOM 564 N ALA A 35 11.138 -6.103 5.338 1.00 0.58 N ATOM 565 CA ALA A 35 10.465 -7.368 4.965 1.00 0.56 C ATOM 566 C ALA A 35 9.341 -7.498 5.963 1.00 0.56 C ATOM 567 O ALA A 35 8.201 -7.586 5.573 1.00 0.54 O ATOM 568 CB ALA A 35 11.390 -8.576 5.114 1.00 0.65 C ATOM 0 H ALA A 35 12.079 -6.183 5.723 1.00 0.58 H new ATOM 0 HA ALA A 35 10.141 -7.345 3.924 1.00 0.56 H new ATOM 0 HB1 ALA A 35 10.854 -9.482 4.830 1.00 0.65 H new ATOM 0 HB2 ALA A 35 12.259 -8.451 4.468 1.00 0.65 H new ATOM 0 HB3 ALA A 35 11.717 -8.658 6.151 1.00 0.65 H new ATOM 574 N ASP A 36 9.681 -7.493 7.225 1.00 0.62 N ATOM 575 CA ASP A 36 8.588 -7.630 8.240 1.00 0.67 C ATOM 576 C ASP A 36 7.490 -6.639 7.960 1.00 0.60 C ATOM 577 O ASP A 36 6.332 -6.970 7.804 1.00 0.62 O ATOM 578 CB ASP A 36 9.059 -7.327 9.648 1.00 0.79 C ATOM 579 CG ASP A 36 7.794 -6.992 10.447 1.00 1.21 C ATOM 580 OD1 ASP A 36 6.996 -7.897 10.616 1.00 1.67 O ATOM 581 OD2 ASP A 36 7.698 -5.842 10.841 1.00 1.65 O ATOM 0 H ASP A 36 10.629 -7.404 7.590 1.00 0.62 H new ATOM 0 HA ASP A 36 8.249 -8.664 8.169 1.00 0.67 H new ATOM 0 HB2 ASP A 36 9.579 -8.182 10.079 1.00 0.79 H new ATOM 0 HB3 ASP A 36 9.759 -6.492 9.655 1.00 0.79 H new ATOM 586 N ILE A 37 7.915 -5.417 7.906 1.00 0.55 N ATOM 587 CA ILE A 37 6.952 -4.332 7.649 1.00 0.52 C ATOM 588 C ILE A 37 6.200 -4.625 6.354 1.00 0.47 C ATOM 589 O ILE A 37 5.050 -4.262 6.223 1.00 0.50 O ATOM 590 CB ILE A 37 7.755 -3.026 7.568 1.00 0.53 C ATOM 591 CG1 ILE A 37 8.522 -2.785 8.900 1.00 0.68 C ATOM 592 CG2 ILE A 37 6.845 -1.837 7.291 1.00 0.57 C ATOM 593 CD1 ILE A 37 7.563 -2.529 10.074 1.00 1.12 C ATOM 0 H ILE A 37 8.885 -5.125 8.029 1.00 0.55 H new ATOM 0 HA ILE A 37 6.207 -4.247 8.441 1.00 0.52 H new ATOM 0 HB ILE A 37 8.465 -3.122 6.746 1.00 0.53 H new ATOM 0 HG12 ILE A 37 9.145 -3.651 9.122 1.00 0.68 H new ATOM 0 HG13 ILE A 37 9.191 -1.932 8.785 1.00 0.68 H new ATOM 0 HG21 ILE A 37 7.442 -0.926 7.239 1.00 0.57 H new ATOM 0 HG22 ILE A 37 6.329 -1.987 6.343 1.00 0.57 H new ATOM 0 HG23 ILE A 37 6.112 -1.745 8.093 1.00 0.57 H new ATOM 0 HD11 ILE A 37 8.139 -2.366 10.985 1.00 1.12 H new ATOM 0 HD12 ILE A 37 6.958 -1.647 9.864 1.00 1.12 H new ATOM 0 HD13 ILE A 37 6.911 -3.393 10.207 1.00 1.12 H new ATOM 605 N CYS A 38 6.838 -5.274 5.423 1.00 0.45 N ATOM 606 CA CYS A 38 6.131 -5.549 4.147 1.00 0.47 C ATOM 607 C CYS A 38 5.061 -6.595 4.363 1.00 0.50 C ATOM 608 O CYS A 38 3.975 -6.433 3.853 1.00 0.57 O ATOM 609 CB CYS A 38 7.089 -6.077 3.072 1.00 0.48 C ATOM 610 SG CYS A 38 6.388 -6.406 1.437 1.00 0.70 S ATOM 0 H CYS A 38 7.796 -5.619 5.487 1.00 0.45 H new ATOM 0 HA CYS A 38 5.696 -4.607 3.813 1.00 0.47 H new ATOM 0 HB2 CYS A 38 7.898 -5.355 2.955 1.00 0.48 H new ATOM 0 HB3 CYS A 38 7.536 -7.000 3.441 1.00 0.48 H new ATOM 0 HG CYS A 38 7.225 -6.020 0.520 1.00 0.70 H new ATOM 616 N GLU A 39 5.354 -7.634 5.092 1.00 0.54 N ATOM 617 CA GLU A 39 4.299 -8.657 5.303 1.00 0.62 C ATOM 618 C GLU A 39 3.170 -8.010 6.076 1.00 0.58 C ATOM 619 O GLU A 39 2.010 -8.115 5.732 1.00 0.57 O ATOM 620 CB GLU A 39 4.834 -9.849 6.123 1.00 0.75 C ATOM 621 CG GLU A 39 5.653 -10.815 5.251 1.00 1.35 C ATOM 622 CD GLU A 39 6.942 -10.154 4.794 1.00 2.07 C ATOM 623 OE1 GLU A 39 6.852 -9.471 3.792 1.00 2.39 O ATOM 624 OE2 GLU A 39 7.931 -10.373 5.470 1.00 2.82 O ATOM 0 H GLU A 39 6.253 -7.816 5.539 1.00 0.54 H new ATOM 0 HA GLU A 39 3.964 -9.027 4.334 1.00 0.62 H new ATOM 0 HB2 GLU A 39 5.455 -9.480 6.940 1.00 0.75 H new ATOM 0 HB3 GLU A 39 3.999 -10.385 6.574 1.00 0.75 H new ATOM 0 HG2 GLU A 39 5.881 -11.719 5.815 1.00 1.35 H new ATOM 0 HG3 GLU A 39 5.066 -11.119 4.384 1.00 1.35 H new ATOM 631 N SER A 40 3.544 -7.345 7.121 1.00 0.63 N ATOM 632 CA SER A 40 2.523 -6.681 7.950 1.00 0.64 C ATOM 633 C SER A 40 1.755 -5.661 7.107 1.00 0.58 C ATOM 634 O SER A 40 0.585 -5.412 7.319 1.00 0.63 O ATOM 635 CB SER A 40 3.279 -6.046 9.103 1.00 0.72 C ATOM 636 OG SER A 40 4.013 -7.158 9.598 1.00 0.77 O ATOM 0 H SER A 40 4.508 -7.234 7.435 1.00 0.63 H new ATOM 0 HA SER A 40 1.773 -7.372 8.335 1.00 0.64 H new ATOM 0 HB2 SER A 40 3.931 -5.237 8.772 1.00 0.72 H new ATOM 0 HB3 SER A 40 2.609 -5.628 9.854 1.00 0.72 H new ATOM 0 HG SER A 40 4.558 -6.876 10.362 1.00 0.77 H new ATOM 642 N LEU A 41 2.436 -5.088 6.160 1.00 0.54 N ATOM 643 CA LEU A 41 1.768 -4.075 5.302 1.00 0.53 C ATOM 644 C LEU A 41 0.854 -4.806 4.358 1.00 0.50 C ATOM 645 O LEU A 41 -0.209 -4.344 4.006 1.00 0.55 O ATOM 646 CB LEU A 41 2.797 -3.329 4.486 1.00 0.56 C ATOM 647 CG LEU A 41 2.161 -2.215 3.636 1.00 0.63 C ATOM 648 CD1 LEU A 41 1.609 -1.101 4.538 1.00 1.05 C ATOM 649 CD2 LEU A 41 3.252 -1.636 2.739 1.00 1.22 C ATOM 0 H LEU A 41 3.415 -5.273 5.943 1.00 0.54 H new ATOM 0 HA LEU A 41 1.219 -3.367 5.923 1.00 0.53 H new ATOM 0 HB2 LEU A 41 3.543 -2.896 5.152 1.00 0.56 H new ATOM 0 HB3 LEU A 41 3.320 -4.029 3.834 1.00 0.56 H new ATOM 0 HG LEU A 41 1.340 -2.622 3.046 1.00 0.63 H new ATOM 0 HD11 LEU A 41 1.163 -0.321 3.921 1.00 1.05 H new ATOM 0 HD12 LEU A 41 0.852 -1.514 5.205 1.00 1.05 H new ATOM 0 HD13 LEU A 41 2.420 -0.676 5.129 1.00 1.05 H new ATOM 0 HD21 LEU A 41 2.832 -0.842 2.122 1.00 1.22 H new ATOM 0 HD22 LEU A 41 4.054 -1.231 3.356 1.00 1.22 H new ATOM 0 HD23 LEU A 41 3.650 -2.422 2.097 1.00 1.22 H new ATOM 661 N HIS A 42 1.340 -5.944 3.983 1.00 0.50 N ATOM 662 CA HIS A 42 0.605 -6.802 3.024 1.00 0.53 C ATOM 663 C HIS A 42 -0.767 -7.103 3.593 1.00 0.55 C ATOM 664 O HIS A 42 -1.772 -6.773 2.996 1.00 0.63 O ATOM 665 CB HIS A 42 1.384 -8.107 2.807 1.00 0.54 C ATOM 666 CG HIS A 42 0.879 -8.816 1.552 1.00 0.60 C ATOM 667 ND1 HIS A 42 -0.127 -9.752 1.395 1.00 0.61 N flip ATOM 668 CD2 HIS A 42 1.349 -8.641 0.358 1.00 1.21 C flip ATOM 669 CE1 HIS A 42 -0.222 -10.101 0.127 1.00 0.64 C flip ATOM 670 NE2 HIS A 42 0.704 -9.394 -0.473 1.00 1.13 N flip ATOM 0 H HIS A 42 2.230 -6.325 4.304 1.00 0.50 H new ATOM 0 HA HIS A 42 0.498 -6.292 2.067 1.00 0.53 H new ATOM 0 HB2 HIS A 42 2.448 -7.893 2.710 1.00 0.54 H new ATOM 0 HB3 HIS A 42 1.268 -8.758 3.674 1.00 0.54 H new ATOM 0 HD2 HIS A 42 2.154 -7.971 0.097 1.00 1.21 H new ATOM 0 HE1 HIS A 42 -0.907 -10.809 -0.316 1.00 0.64 H new ATOM 0 HE2 HIS A 42 0.893 -9.433 -1.475 1.00 1.13 H new ATOM 678 N ASP A 43 -0.791 -7.721 4.739 1.00 0.56 N ATOM 679 CA ASP A 43 -2.125 -8.043 5.316 1.00 0.64 C ATOM 680 C ASP A 43 -2.879 -6.786 5.644 1.00 0.60 C ATOM 681 O ASP A 43 -4.065 -6.696 5.421 1.00 0.62 O ATOM 682 CB ASP A 43 -2.038 -8.808 6.614 1.00 0.80 C ATOM 683 CG ASP A 43 -3.474 -8.862 7.146 1.00 1.22 C ATOM 684 OD1 ASP A 43 -4.274 -9.517 6.501 1.00 1.86 O ATOM 685 OD2 ASP A 43 -3.709 -8.242 8.167 1.00 1.51 O ATOM 0 H ASP A 43 0.021 -8.009 5.285 1.00 0.56 H new ATOM 0 HA ASP A 43 -2.622 -8.645 4.555 1.00 0.64 H new ATOM 0 HB2 ASP A 43 -1.639 -9.810 6.455 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -1.375 -8.310 7.321 1.00 0.80 H new ATOM 690 N HIS A 44 -2.185 -5.823 6.171 1.00 0.60 N ATOM 691 CA HIS A 44 -2.913 -4.579 6.522 1.00 0.63 C ATOM 692 C HIS A 44 -3.516 -3.975 5.264 1.00 0.60 C ATOM 693 O HIS A 44 -4.527 -3.306 5.300 1.00 0.68 O ATOM 694 CB HIS A 44 -1.967 -3.562 7.143 1.00 0.65 C ATOM 695 CG HIS A 44 -2.816 -2.395 7.654 1.00 1.02 C ATOM 696 ND1 HIS A 44 -4.039 -2.495 8.067 1.00 1.67 N ATOM 697 CD2 HIS A 44 -2.516 -1.049 7.796 1.00 1.54 C ATOM 698 CE1 HIS A 44 -4.468 -1.332 8.433 1.00 2.24 C ATOM 699 NE2 HIS A 44 -3.557 -0.402 8.282 1.00 2.16 N ATOM 0 H HIS A 44 -1.184 -5.838 6.368 1.00 0.60 H new ATOM 0 HA HIS A 44 -3.695 -4.827 7.239 1.00 0.63 H new ATOM 0 HB2 HIS A 44 -1.403 -4.012 7.960 1.00 0.65 H new ATOM 0 HB3 HIS A 44 -1.241 -3.215 6.408 1.00 0.65 H new ATOM 0 HD2 HIS A 44 -1.568 -0.596 7.545 1.00 1.54 H new ATOM 0 HE1 HIS A 44 -5.460 -1.148 8.818 1.00 2.24 H new ATOM 0 HE2 HIS A 44 -3.635 0.593 8.492 1.00 2.16 H new ATOM 707 N ALA A 45 -2.886 -4.220 4.155 1.00 0.57 N ATOM 708 CA ALA A 45 -3.445 -3.646 2.908 1.00 0.62 C ATOM 709 C ALA A 45 -4.665 -4.480 2.627 1.00 0.59 C ATOM 710 O ALA A 45 -5.672 -4.002 2.145 1.00 0.61 O ATOM 711 CB ALA A 45 -2.459 -3.784 1.753 1.00 0.70 C ATOM 0 H ALA A 45 -2.035 -4.774 4.057 1.00 0.57 H new ATOM 0 HA ALA A 45 -3.664 -2.583 3.014 1.00 0.62 H new ATOM 0 HB1 ALA A 45 -2.894 -3.355 0.850 1.00 0.70 H new ATOM 0 HB2 ALA A 45 -1.537 -3.257 1.997 1.00 0.70 H new ATOM 0 HB3 ALA A 45 -2.241 -4.839 1.585 1.00 0.70 H new ATOM 717 N ASP A 46 -4.540 -5.736 2.944 1.00 0.60 N ATOM 718 CA ASP A 46 -5.700 -6.626 2.700 1.00 0.65 C ATOM 719 C ASP A 46 -6.735 -6.286 3.746 1.00 0.65 C ATOM 720 O ASP A 46 -7.880 -6.647 3.617 1.00 0.65 O ATOM 721 CB ASP A 46 -5.335 -8.097 2.864 1.00 0.76 C ATOM 722 CG ASP A 46 -6.539 -8.952 2.461 1.00 0.88 C ATOM 723 OD1 ASP A 46 -7.218 -8.556 1.528 1.00 1.45 O ATOM 724 OD2 ASP A 46 -6.725 -9.970 3.096 1.00 1.04 O ATOM 0 H ASP A 46 -3.712 -6.173 3.349 1.00 0.60 H new ATOM 0 HA ASP A 46 -6.056 -6.479 1.680 1.00 0.65 H new ATOM 0 HB2 ASP A 46 -4.473 -8.343 2.244 1.00 0.76 H new ATOM 0 HB3 ASP A 46 -5.054 -8.303 3.897 1.00 0.76 H new ATOM 729 N GLU A 47 -6.333 -5.601 4.777 1.00 0.71 N ATOM 730 CA GLU A 47 -7.336 -5.248 5.806 1.00 0.81 C ATOM 731 C GLU A 47 -8.111 -4.107 5.201 1.00 0.75 C ATOM 732 O GLU A 47 -9.306 -3.985 5.373 1.00 0.81 O ATOM 733 CB GLU A 47 -6.631 -4.803 7.100 1.00 0.97 C ATOM 734 CG GLU A 47 -7.649 -4.407 8.167 1.00 1.17 C ATOM 735 CD GLU A 47 -8.581 -5.585 8.397 1.00 1.52 C ATOM 736 OE1 GLU A 47 -8.179 -6.462 9.137 1.00 1.97 O ATOM 737 OE2 GLU A 47 -9.646 -5.547 7.812 1.00 2.02 O ATOM 0 H GLU A 47 -5.380 -5.279 4.947 1.00 0.71 H new ATOM 0 HA GLU A 47 -7.980 -6.086 6.072 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -6.003 -5.612 7.473 1.00 0.97 H new ATOM 0 HB3 GLU A 47 -5.973 -3.960 6.889 1.00 0.97 H new ATOM 0 HG2 GLU A 47 -7.142 -4.137 9.094 1.00 1.17 H new ATOM 0 HG3 GLU A 47 -8.215 -3.532 7.846 1.00 1.17 H new ATOM 744 N LEU A 48 -7.407 -3.279 4.490 1.00 0.72 N ATOM 745 CA LEU A 48 -8.133 -2.150 3.870 1.00 0.77 C ATOM 746 C LEU A 48 -9.077 -2.806 2.876 1.00 0.68 C ATOM 747 O LEU A 48 -10.156 -2.312 2.628 1.00 0.93 O ATOM 748 CB LEU A 48 -7.143 -1.223 3.145 1.00 0.85 C ATOM 749 CG LEU A 48 -7.861 0.038 2.599 1.00 0.87 C ATOM 750 CD1 LEU A 48 -8.466 0.866 3.749 1.00 1.52 C ATOM 751 CD2 LEU A 48 -6.840 0.919 1.862 1.00 1.40 C ATOM 0 H LEU A 48 -6.403 -3.330 4.317 1.00 0.72 H new ATOM 0 HA LEU A 48 -8.664 -1.538 4.599 1.00 0.77 H new ATOM 0 HB2 LEU A 48 -6.349 -0.926 3.830 1.00 0.85 H new ATOM 0 HB3 LEU A 48 -6.670 -1.761 2.323 1.00 0.85 H new ATOM 0 HG LEU A 48 -8.657 -0.284 1.928 1.00 0.87 H new ATOM 0 HD11 LEU A 48 -8.964 1.745 3.341 1.00 1.52 H new ATOM 0 HD12 LEU A 48 -9.189 0.259 4.293 1.00 1.52 H new ATOM 0 HD13 LEU A 48 -7.673 1.180 4.427 1.00 1.52 H new ATOM 0 HD21 LEU A 48 -7.338 1.808 1.475 1.00 1.40 H new ATOM 0 HD22 LEU A 48 -6.051 1.217 2.552 1.00 1.40 H new ATOM 0 HD23 LEU A 48 -6.405 0.358 1.035 1.00 1.40 H new ATOM 763 N TYR A 49 -8.640 -3.909 2.335 1.00 0.59 N ATOM 764 CA TYR A 49 -9.493 -4.620 1.346 1.00 0.54 C ATOM 765 C TYR A 49 -10.701 -5.227 2.047 1.00 0.59 C ATOM 766 O TYR A 49 -11.806 -5.148 1.554 1.00 0.82 O ATOM 767 CB TYR A 49 -8.702 -5.742 0.674 1.00 0.61 C ATOM 768 CG TYR A 49 -9.586 -6.404 -0.385 1.00 0.64 C ATOM 769 CD1 TYR A 49 -9.747 -5.816 -1.619 1.00 1.33 C ATOM 770 CD2 TYR A 49 -10.234 -7.593 -0.121 1.00 1.29 C ATOM 771 CE1 TYR A 49 -10.543 -6.405 -2.577 1.00 1.40 C ATOM 772 CE2 TYR A 49 -11.032 -8.184 -1.079 1.00 1.32 C ATOM 773 CZ TYR A 49 -11.191 -7.595 -2.314 1.00 0.85 C ATOM 774 OH TYR A 49 -11.980 -8.185 -3.281 1.00 0.99 O ATOM 0 H TYR A 49 -7.739 -4.344 2.533 1.00 0.59 H new ATOM 0 HA TYR A 49 -9.820 -3.902 0.594 1.00 0.54 H new ATOM 0 HB2 TYR A 49 -7.798 -5.343 0.215 1.00 0.61 H new ATOM 0 HB3 TYR A 49 -8.386 -6.477 1.415 1.00 0.61 H new ATOM 0 HD1 TYR A 49 -9.245 -4.885 -1.838 1.00 1.33 H new ATOM 0 HD2 TYR A 49 -10.116 -8.065 0.843 1.00 1.29 H new ATOM 0 HE1 TYR A 49 -10.661 -5.932 -3.541 1.00 1.40 H new ATOM 0 HE2 TYR A 49 -11.535 -9.114 -0.859 1.00 1.32 H new ATOM 0 HH TYR A 49 -12.360 -9.017 -2.930 1.00 0.99 H new ATOM 784 N ARG A 50 -10.464 -5.818 3.182 1.00 0.71 N ATOM 785 CA ARG A 50 -11.576 -6.454 3.933 1.00 0.95 C ATOM 786 C ARG A 50 -12.554 -5.373 4.352 1.00 1.15 C ATOM 787 O ARG A 50 -13.696 -5.357 3.944 1.00 1.19 O ATOM 788 CB ARG A 50 -11.013 -7.167 5.177 1.00 1.20 C ATOM 789 CG ARG A 50 -10.247 -8.436 4.750 1.00 1.44 C ATOM 790 CD ARG A 50 -9.629 -9.125 5.997 1.00 1.54 C ATOM 791 NE ARG A 50 -8.707 -8.194 6.709 1.00 1.70 N ATOM 792 CZ ARG A 50 -7.412 -8.434 6.670 1.00 1.79 C ATOM 793 NH1 ARG A 50 -6.885 -8.746 5.512 1.00 2.29 N ATOM 794 NH2 ARG A 50 -6.697 -8.356 7.769 1.00 2.21 N ATOM 0 H ARG A 50 -9.546 -5.888 3.622 1.00 0.71 H new ATOM 0 HA ARG A 50 -12.084 -7.188 3.307 1.00 0.95 H new ATOM 0 HB2 ARG A 50 -10.349 -6.496 5.722 1.00 1.20 H new ATOM 0 HB3 ARG A 50 -11.825 -7.432 5.854 1.00 1.20 H new ATOM 0 HG2 ARG A 50 -10.921 -9.124 4.240 1.00 1.44 H new ATOM 0 HG3 ARG A 50 -9.461 -8.176 4.041 1.00 1.44 H new ATOM 0 HD2 ARG A 50 -10.422 -9.446 6.672 1.00 1.54 H new ATOM 0 HD3 ARG A 50 -9.087 -10.020 5.693 1.00 1.54 H new ATOM 0 HE ARG A 50 -9.072 -7.388 7.216 1.00 1.70 H new ATOM 0 HH11 ARG A 50 -7.474 -8.796 4.681 1.00 2.29 H new ATOM 0 HH12 ARG A 50 -5.886 -8.939 5.442 1.00 2.29 H new ATOM 0 HH21 ARG A 50 -7.144 -8.110 8.652 1.00 2.21 H new ATOM 0 HH22 ARG A 50 -5.694 -8.542 7.739 1.00 2.21 H new ATOM 808 N SER A 51 -12.067 -4.494 5.170 1.00 1.40 N ATOM 809 CA SER A 51 -12.911 -3.383 5.656 1.00 1.77 C ATOM 810 C SER A 51 -13.622 -2.660 4.506 1.00 1.70 C ATOM 811 O SER A 51 -14.792 -2.348 4.597 1.00 1.91 O ATOM 812 CB SER A 51 -11.986 -2.463 6.424 1.00 2.04 C ATOM 813 OG SER A 51 -11.434 -3.359 7.379 1.00 2.11 O ATOM 0 H SER A 51 -11.111 -4.499 5.526 1.00 1.40 H new ATOM 0 HA SER A 51 -13.714 -3.749 6.295 1.00 1.77 H new ATOM 0 HB2 SER A 51 -11.222 -2.021 5.785 1.00 2.04 H new ATOM 0 HB3 SER A 51 -12.523 -1.639 6.895 1.00 2.04 H new ATOM 0 HG SER A 51 -10.802 -2.877 7.952 1.00 2.11 H new ATOM 819 N CYS A 52 -12.937 -2.396 3.432 1.00 1.50 N ATOM 820 CA CYS A 52 -13.662 -1.681 2.352 1.00 1.60 C ATOM 821 C CYS A 52 -14.630 -2.637 1.694 1.00 1.30 C ATOM 822 O CYS A 52 -15.660 -2.219 1.209 1.00 1.42 O ATOM 823 CB CYS A 52 -12.699 -1.169 1.293 1.00 1.71 C ATOM 824 SG CYS A 52 -11.826 -2.403 0.306 1.00 2.41 S ATOM 0 H CYS A 52 -11.959 -2.629 3.258 1.00 1.50 H new ATOM 0 HA CYS A 52 -14.187 -0.833 2.793 1.00 1.60 H new ATOM 0 HB2 CYS A 52 -13.256 -0.525 0.613 1.00 1.71 H new ATOM 0 HB3 CYS A 52 -11.955 -0.544 1.787 1.00 1.71 H new ATOM 0 HG CYS A 52 -12.042 -3.586 0.800 1.00 2.41 H new ATOM 830 N LEU A 53 -14.302 -3.895 1.681 1.00 1.00 N ATOM 831 CA LEU A 53 -15.247 -4.844 1.045 1.00 0.95 C ATOM 832 C LEU A 53 -16.482 -4.850 1.917 1.00 1.09 C ATOM 833 O LEU A 53 -17.564 -5.140 1.462 1.00 1.19 O ATOM 834 CB LEU A 53 -14.642 -6.262 0.987 1.00 0.98 C ATOM 835 CG LEU A 53 -15.691 -7.298 0.499 1.00 1.21 C ATOM 836 CD1 LEU A 53 -16.235 -6.938 -0.902 1.00 1.56 C ATOM 837 CD2 LEU A 53 -15.017 -8.674 0.422 1.00 1.58 C ATOM 0 H LEU A 53 -13.449 -4.297 2.070 1.00 1.00 H new ATOM 0 HA LEU A 53 -15.472 -4.545 0.021 1.00 0.95 H new ATOM 0 HB2 LEU A 53 -13.782 -6.267 0.317 1.00 0.98 H new ATOM 0 HB3 LEU A 53 -14.278 -6.546 1.974 1.00 0.98 H new ATOM 0 HG LEU A 53 -16.525 -7.301 1.201 1.00 1.21 H new ATOM 0 HD11 LEU A 53 -16.966 -7.685 -1.211 1.00 1.56 H new ATOM 0 HD12 LEU A 53 -16.710 -5.958 -0.867 1.00 1.56 H new ATOM 0 HD13 LEU A 53 -15.413 -6.918 -1.617 1.00 1.56 H new ATOM 0 HD21 LEU A 53 -15.740 -9.415 0.081 1.00 1.58 H new ATOM 0 HD22 LEU A 53 -14.183 -8.632 -0.278 1.00 1.58 H new ATOM 0 HD23 LEU A 53 -14.649 -8.954 1.409 1.00 1.58 H new ATOM 849 N ALA A 54 -16.321 -4.529 3.167 1.00 1.32 N ATOM 850 CA ALA A 54 -17.536 -4.526 4.021 1.00 1.66 C ATOM 851 C ALA A 54 -18.395 -3.369 3.554 1.00 1.77 C ATOM 852 O ALA A 54 -19.604 -3.400 3.652 1.00 2.00 O ATOM 853 CB ALA A 54 -17.177 -4.304 5.485 1.00 1.85 C ATOM 0 H ALA A 54 -15.442 -4.279 3.620 1.00 1.32 H new ATOM 0 HA ALA A 54 -18.050 -5.484 3.939 1.00 1.66 H new ATOM 0 HB1 ALA A 54 -18.086 -4.307 6.087 1.00 1.85 H new ATOM 0 HB2 ALA A 54 -16.516 -5.102 5.823 1.00 1.85 H new ATOM 0 HB3 ALA A 54 -16.672 -3.344 5.594 1.00 1.85 H new ATOM 1063 N GLU B 5 17.079 -0.547 -6.229 1.00 1.21 N ATOM 1064 CA GLU B 5 16.575 -0.054 -4.925 1.00 0.96 C ATOM 1065 C GLU B 5 15.596 1.045 -5.261 1.00 0.95 C ATOM 1066 O GLU B 5 14.605 1.247 -4.591 1.00 0.82 O ATOM 1067 CB GLU B 5 17.695 0.548 -4.053 1.00 1.13 C ATOM 1068 CG GLU B 5 19.089 0.084 -4.495 1.00 1.56 C ATOM 1069 CD GLU B 5 19.505 0.856 -5.732 1.00 1.97 C ATOM 1070 OE1 GLU B 5 18.780 1.763 -6.095 1.00 2.53 O ATOM 1071 OE2 GLU B 5 20.540 0.504 -6.261 1.00 2.36 O ATOM 0 HA GLU B 5 16.137 -0.878 -4.362 1.00 0.96 H new ATOM 0 HB2 GLU B 5 17.644 1.636 -4.100 1.00 1.13 H new ATOM 0 HB3 GLU B 5 17.534 0.266 -3.012 1.00 1.13 H new ATOM 0 HG2 GLU B 5 19.810 0.244 -3.693 1.00 1.56 H new ATOM 0 HG3 GLU B 5 19.079 -0.985 -4.706 1.00 1.56 H new ATOM 1078 N LYS B 6 15.908 1.735 -6.316 1.00 1.22 N ATOM 1079 CA LYS B 6 15.017 2.839 -6.722 1.00 1.36 C ATOM 1080 C LYS B 6 13.720 2.263 -7.239 1.00 1.20 C ATOM 1081 O LYS B 6 12.690 2.900 -7.157 1.00 1.18 O ATOM 1082 CB LYS B 6 15.669 3.657 -7.826 1.00 1.75 C ATOM 1083 CG LYS B 6 15.207 5.118 -7.721 1.00 2.49 C ATOM 1084 CD LYS B 6 16.138 5.929 -6.786 1.00 2.98 C ATOM 1085 CE LYS B 6 16.168 5.349 -5.353 1.00 3.67 C ATOM 1086 NZ LYS B 6 16.941 6.198 -4.422 1.00 3.78 N ATOM 0 H LYS B 6 16.728 1.584 -6.904 1.00 1.22 H new ATOM 0 HA LYS B 6 14.828 3.481 -5.862 1.00 1.36 H new ATOM 0 HB2 LYS B 6 16.754 3.601 -7.743 1.00 1.75 H new ATOM 0 HB3 LYS B 6 15.403 3.249 -8.801 1.00 1.75 H new ATOM 0 HG2 LYS B 6 15.196 5.572 -8.712 1.00 2.49 H new ATOM 0 HG3 LYS B 6 14.185 5.154 -7.343 1.00 2.49 H new ATOM 0 HD2 LYS B 6 17.148 5.935 -7.196 1.00 2.98 H new ATOM 0 HD3 LYS B 6 15.803 6.966 -6.751 1.00 2.98 H new ATOM 0 HE2 LYS B 6 15.148 5.244 -4.984 1.00 3.67 H new ATOM 0 HE3 LYS B 6 16.603 4.350 -5.377 1.00 3.67 H new ATOM 0 HZ1 LYS B 6 16.934 5.770 -3.474 1.00 3.78 H new ATOM 0 HZ2 LYS B 6 17.922 6.278 -4.758 1.00 3.78 H new ATOM 0 HZ3 LYS B 6 16.512 7.144 -4.378 1.00 3.78 H new ATOM 1100 N THR B 7 13.784 1.082 -7.767 1.00 1.23 N ATOM 1101 CA THR B 7 12.532 0.504 -8.286 1.00 1.25 C ATOM 1102 C THR B 7 11.641 0.211 -7.085 1.00 0.98 C ATOM 1103 O THR B 7 10.480 0.564 -7.061 1.00 0.93 O ATOM 1104 CB THR B 7 12.883 -0.767 -9.031 1.00 1.53 C ATOM 1105 OG1 THR B 7 13.986 -0.402 -9.851 1.00 1.77 O ATOM 1106 CG2 THR B 7 11.777 -1.171 -10.019 1.00 1.82 C ATOM 0 H THR B 7 14.622 0.508 -7.860 1.00 1.23 H new ATOM 0 HA THR B 7 12.010 1.176 -8.967 1.00 1.25 H new ATOM 0 HB THR B 7 13.054 -1.578 -8.323 1.00 1.53 H new ATOM 0 HG1 THR B 7 14.278 -1.179 -10.371 1.00 1.77 H new ATOM 0 HG21 THR B 7 12.066 -2.087 -10.534 1.00 1.82 H new ATOM 0 HG22 THR B 7 10.847 -1.338 -9.476 1.00 1.82 H new ATOM 0 HG23 THR B 7 11.633 -0.375 -10.749 1.00 1.82 H new ATOM 1114 N ALA B 8 12.214 -0.428 -6.109 1.00 0.87 N ATOM 1115 CA ALA B 8 11.402 -0.768 -4.914 1.00 0.79 C ATOM 1116 C ALA B 8 10.889 0.502 -4.279 1.00 0.62 C ATOM 1117 O ALA B 8 9.724 0.642 -3.977 1.00 0.70 O ATOM 1118 CB ALA B 8 12.251 -1.507 -3.891 1.00 0.81 C ATOM 0 H ALA B 8 13.190 -0.725 -6.085 1.00 0.87 H new ATOM 0 HA ALA B 8 10.572 -1.402 -5.226 1.00 0.79 H new ATOM 0 HB1 ALA B 8 11.642 -1.750 -3.020 1.00 0.81 H new ATOM 0 HB2 ALA B 8 12.635 -2.426 -4.333 1.00 0.81 H new ATOM 0 HB3 ALA B 8 13.085 -0.875 -3.586 1.00 0.81 H new ATOM 1124 N LEU B 9 11.800 1.402 -4.097 1.00 0.59 N ATOM 1125 CA LEU B 9 11.451 2.693 -3.464 1.00 0.73 C ATOM 1126 C LEU B 9 10.324 3.391 -4.188 1.00 0.60 C ATOM 1127 O LEU B 9 9.364 3.823 -3.584 1.00 0.61 O ATOM 1128 CB LEU B 9 12.717 3.562 -3.455 1.00 1.09 C ATOM 1129 CG LEU B 9 12.438 4.998 -2.964 1.00 1.65 C ATOM 1130 CD1 LEU B 9 13.714 5.533 -2.341 1.00 1.96 C ATOM 1131 CD2 LEU B 9 12.126 5.937 -4.156 1.00 2.37 C ATOM 0 H LEU B 9 12.780 1.299 -4.361 1.00 0.59 H new ATOM 0 HA LEU B 9 11.097 2.518 -2.448 1.00 0.73 H new ATOM 0 HB2 LEU B 9 13.467 3.100 -2.813 1.00 1.09 H new ATOM 0 HB3 LEU B 9 13.137 3.599 -4.460 1.00 1.09 H new ATOM 0 HG LEU B 9 11.598 4.969 -2.270 1.00 1.65 H new ATOM 0 HD11 LEU B 9 13.546 6.549 -1.984 1.00 1.96 H new ATOM 0 HD12 LEU B 9 14.004 4.898 -1.504 1.00 1.96 H new ATOM 0 HD13 LEU B 9 14.509 5.537 -3.087 1.00 1.96 H new ATOM 0 HD21 LEU B 9 11.933 6.944 -3.785 1.00 2.37 H new ATOM 0 HD22 LEU B 9 12.978 5.958 -4.835 1.00 2.37 H new ATOM 0 HD23 LEU B 9 11.247 5.571 -4.687 1.00 2.37 H new ATOM 1143 N ASN B 10 10.460 3.485 -5.475 1.00 0.60 N ATOM 1144 CA ASN B 10 9.410 4.199 -6.240 1.00 0.63 C ATOM 1145 C ASN B 10 8.111 3.433 -6.253 1.00 0.57 C ATOM 1146 O ASN B 10 7.055 4.026 -6.232 1.00 0.57 O ATOM 1147 CB ASN B 10 9.873 4.407 -7.666 1.00 0.76 C ATOM 1148 CG ASN B 10 8.784 5.179 -8.421 1.00 1.34 C ATOM 1149 OD1 ASN B 10 8.066 5.987 -7.859 1.00 1.67 O ATOM 1150 ND2 ASN B 10 8.633 4.959 -9.698 1.00 2.15 N ATOM 0 H ASN B 10 11.234 3.108 -6.021 1.00 0.60 H new ATOM 0 HA ASN B 10 9.238 5.158 -5.751 1.00 0.63 H new ATOM 0 HB2 ASN B 10 10.812 4.961 -7.683 1.00 0.76 H new ATOM 0 HB3 ASN B 10 10.061 3.447 -8.148 1.00 0.76 H new ATOM 0 HD21 ASN B 10 7.916 5.462 -10.221 1.00 2.15 H new ATOM 0 HD22 ASN B 10 9.231 4.284 -10.173 1.00 2.15 H new ATOM 1157 N MET B 11 8.198 2.136 -6.287 1.00 0.60 N ATOM 1158 CA MET B 11 6.936 1.354 -6.308 1.00 0.65 C ATOM 1159 C MET B 11 6.255 1.471 -4.956 1.00 0.62 C ATOM 1160 O MET B 11 5.046 1.539 -4.869 1.00 0.68 O ATOM 1161 CB MET B 11 7.244 -0.110 -6.605 1.00 0.77 C ATOM 1162 CG MET B 11 7.619 -0.251 -8.083 1.00 1.18 C ATOM 1163 SD MET B 11 8.108 -1.901 -8.646 1.00 1.98 S ATOM 1164 CE MET B 11 6.453 -2.633 -8.722 1.00 2.42 C ATOM 0 H MET B 11 9.063 1.595 -6.301 1.00 0.60 H new ATOM 0 HA MET B 11 6.277 1.743 -7.084 1.00 0.65 H new ATOM 0 HB2 MET B 11 8.062 -0.458 -5.974 1.00 0.77 H new ATOM 0 HB3 MET B 11 6.378 -0.731 -6.375 1.00 0.77 H new ATOM 0 HG2 MET B 11 6.768 0.074 -8.682 1.00 1.18 H new ATOM 0 HG3 MET B 11 8.438 0.437 -8.293 1.00 1.18 H new ATOM 0 HE1 MET B 11 6.443 -3.568 -8.163 1.00 2.42 H new ATOM 0 HE2 MET B 11 5.730 -1.943 -8.288 1.00 2.42 H new ATOM 0 HE3 MET B 11 6.189 -2.829 -9.761 1.00 2.42 H new ATOM 1174 N ALA B 12 7.036 1.501 -3.914 1.00 0.58 N ATOM 1175 CA ALA B 12 6.405 1.612 -2.572 1.00 0.62 C ATOM 1176 C ALA B 12 5.851 3.012 -2.492 1.00 0.56 C ATOM 1177 O ALA B 12 4.820 3.283 -1.910 1.00 0.57 O ATOM 1178 CB ALA B 12 7.443 1.424 -1.479 1.00 0.67 C ATOM 0 H ALA B 12 8.055 1.455 -3.930 1.00 0.58 H new ATOM 0 HA ALA B 12 5.635 0.852 -2.437 1.00 0.62 H new ATOM 0 HB1 ALA B 12 6.964 1.508 -0.504 1.00 0.67 H new ATOM 0 HB2 ALA B 12 7.898 0.438 -1.575 1.00 0.67 H new ATOM 0 HB3 ALA B 12 8.213 2.190 -1.573 1.00 0.67 H new ATOM 1184 N ARG B 13 6.580 3.888 -3.105 1.00 0.53 N ATOM 1185 CA ARG B 13 6.151 5.300 -3.096 1.00 0.50 C ATOM 1186 C ARG B 13 4.925 5.365 -3.996 1.00 0.49 C ATOM 1187 O ARG B 13 4.082 6.231 -3.866 1.00 0.51 O ATOM 1188 CB ARG B 13 7.269 6.146 -3.659 1.00 0.51 C ATOM 1189 CG ARG B 13 7.015 7.622 -3.406 1.00 0.61 C ATOM 1190 CD ARG B 13 7.848 8.397 -4.433 1.00 1.07 C ATOM 1191 NE ARG B 13 7.381 8.021 -5.799 1.00 1.86 N ATOM 1192 CZ ARG B 13 6.088 7.983 -6.031 1.00 2.52 C ATOM 1193 NH1 ARG B 13 5.352 9.000 -5.631 1.00 3.08 N ATOM 1194 NH2 ARG B 13 5.587 6.932 -6.646 1.00 3.15 N ATOM 0 H ARG B 13 7.446 3.690 -3.607 1.00 0.53 H new ATOM 0 HA ARG B 13 5.919 5.665 -2.096 1.00 0.50 H new ATOM 0 HB2 ARG B 13 8.216 5.853 -3.205 1.00 0.51 H new ATOM 0 HB3 ARG B 13 7.361 5.968 -4.730 1.00 0.51 H new ATOM 0 HG2 ARG B 13 5.956 7.856 -3.512 1.00 0.61 H new ATOM 0 HG3 ARG B 13 7.302 7.895 -2.390 1.00 0.61 H new ATOM 0 HD2 ARG B 13 7.739 9.470 -4.277 1.00 1.07 H new ATOM 0 HD3 ARG B 13 8.906 8.164 -4.317 1.00 1.07 H new ATOM 0 HE ARG B 13 8.050 7.798 -6.536 1.00 1.86 H new ATOM 0 HH11 ARG B 13 5.789 9.789 -5.155 1.00 3.08 H new ATOM 0 HH12 ARG B 13 4.346 8.998 -5.797 1.00 3.08 H new ATOM 0 HH21 ARG B 13 6.200 6.168 -6.932 1.00 3.15 H new ATOM 0 HH22 ARG B 13 4.586 6.881 -6.836 1.00 3.15 H new ATOM 1208 N PHE B 14 4.851 4.436 -4.902 1.00 0.52 N ATOM 1209 CA PHE B 14 3.695 4.455 -5.821 1.00 0.54 C ATOM 1210 C PHE B 14 2.517 3.942 -5.044 1.00 0.57 C ATOM 1211 O PHE B 14 1.406 4.366 -5.284 1.00 0.59 O ATOM 1212 CB PHE B 14 3.943 3.553 -7.017 1.00 0.62 C ATOM 1213 CG PHE B 14 3.416 4.310 -8.231 1.00 1.17 C ATOM 1214 CD1 PHE B 14 2.074 4.288 -8.550 1.00 2.02 C ATOM 1215 CD2 PHE B 14 4.290 5.034 -9.020 1.00 1.81 C ATOM 1216 CE1 PHE B 14 1.609 4.987 -9.645 1.00 2.69 C ATOM 1217 CE2 PHE B 14 3.825 5.731 -10.114 1.00 2.50 C ATOM 1218 CZ PHE B 14 2.483 5.708 -10.429 1.00 2.71 C ATOM 0 H PHE B 14 5.525 3.683 -5.042 1.00 0.52 H new ATOM 0 HA PHE B 14 3.523 5.464 -6.196 1.00 0.54 H new ATOM 0 HB2 PHE B 14 5.005 3.332 -7.126 1.00 0.62 H new ATOM 0 HB3 PHE B 14 3.430 2.599 -6.899 1.00 0.62 H new ATOM 0 HD1 PHE B 14 1.385 3.722 -7.941 1.00 2.02 H new ATOM 0 HD2 PHE B 14 5.342 5.054 -8.778 1.00 1.81 H new ATOM 0 HE1 PHE B 14 0.557 4.969 -9.888 1.00 2.69 H new ATOM 0 HE2 PHE B 14 4.513 6.296 -10.726 1.00 2.50 H new ATOM 0 HZ PHE B 14 2.118 6.253 -11.287 1.00 2.71 H new ATOM 1228 N ILE B 15 2.770 3.042 -4.137 1.00 0.58 N ATOM 1229 CA ILE B 15 1.633 2.539 -3.336 1.00 0.63 C ATOM 1230 C ILE B 15 1.091 3.782 -2.673 1.00 0.59 C ATOM 1231 O ILE B 15 -0.092 4.036 -2.686 1.00 0.62 O ATOM 1232 CB ILE B 15 2.134 1.528 -2.284 1.00 0.69 C ATOM 1233 CG1 ILE B 15 2.431 0.204 -3.006 1.00 0.79 C ATOM 1234 CG2 ILE B 15 1.091 1.344 -1.164 1.00 0.82 C ATOM 1235 CD1 ILE B 15 2.922 -0.853 -2.019 1.00 0.93 C ATOM 0 H ILE B 15 3.685 2.646 -3.923 1.00 0.58 H new ATOM 0 HA ILE B 15 0.881 2.019 -3.929 1.00 0.63 H new ATOM 0 HB ILE B 15 3.043 1.894 -1.806 1.00 0.69 H new ATOM 0 HG12 ILE B 15 1.531 -0.151 -3.509 1.00 0.79 H new ATOM 0 HG13 ILE B 15 3.184 0.366 -3.777 1.00 0.79 H new ATOM 0 HG21 ILE B 15 1.465 0.627 -0.433 1.00 0.82 H new ATOM 0 HG22 ILE B 15 0.910 2.301 -0.674 1.00 0.82 H new ATOM 0 HG23 ILE B 15 0.159 0.974 -1.592 1.00 0.82 H new ATOM 0 HD11 ILE B 15 3.126 -1.782 -2.552 1.00 0.93 H new ATOM 0 HD12 ILE B 15 3.835 -0.504 -1.536 1.00 0.93 H new ATOM 0 HD13 ILE B 15 2.156 -1.029 -1.264 1.00 0.93 H new ATOM 1247 N ARG B 16 1.981 4.539 -2.106 1.00 0.58 N ATOM 1248 CA ARG B 16 1.518 5.776 -1.440 1.00 0.58 C ATOM 1249 C ARG B 16 0.738 6.642 -2.408 1.00 0.55 C ATOM 1250 O ARG B 16 -0.223 7.274 -2.023 1.00 0.56 O ATOM 1251 CB ARG B 16 2.723 6.539 -0.928 1.00 0.60 C ATOM 1252 CG ARG B 16 3.223 5.797 0.294 1.00 0.82 C ATOM 1253 CD ARG B 16 4.559 6.392 0.717 1.00 1.04 C ATOM 1254 NE ARG B 16 4.437 7.866 0.852 1.00 1.57 N ATOM 1255 CZ ARG B 16 5.184 8.615 0.078 1.00 2.08 C ATOM 1256 NH1 ARG B 16 6.470 8.696 0.341 1.00 2.68 N ATOM 1257 NH2 ARG B 16 4.612 9.245 -0.923 1.00 2.60 N ATOM 0 H ARG B 16 2.985 4.360 -2.075 1.00 0.58 H new ATOM 0 HA ARG B 16 0.863 5.512 -0.610 1.00 0.58 H new ATOM 0 HB2 ARG B 16 3.499 6.594 -1.691 1.00 0.60 H new ATOM 0 HB3 ARG B 16 2.453 7.564 -0.674 1.00 0.60 H new ATOM 0 HG2 ARG B 16 2.500 5.877 1.106 1.00 0.82 H new ATOM 0 HG3 ARG B 16 3.336 4.736 0.071 1.00 0.82 H new ATOM 0 HD2 ARG B 16 4.877 5.957 1.664 1.00 1.04 H new ATOM 0 HD3 ARG B 16 5.325 6.148 -0.019 1.00 1.04 H new ATOM 0 HE ARG B 16 3.793 8.282 1.525 1.00 1.57 H new ATOM 0 HH11 ARG B 16 6.862 8.183 1.131 1.00 2.68 H new ATOM 0 HH12 ARG B 16 7.075 9.271 -0.245 1.00 2.68 H new ATOM 0 HH21 ARG B 16 3.610 9.145 -1.083 1.00 2.60 H new ATOM 0 HH22 ARG B 16 5.170 9.834 -1.541 1.00 2.60 H new ATOM 1271 N SER B 17 1.156 6.656 -3.639 1.00 0.57 N ATOM 1272 CA SER B 17 0.420 7.502 -4.603 1.00 0.60 C ATOM 1273 C SER B 17 -1.011 6.966 -4.757 1.00 0.56 C ATOM 1274 O SER B 17 -1.972 7.676 -4.536 1.00 0.55 O ATOM 1275 CB SER B 17 1.167 7.460 -5.942 1.00 0.68 C ATOM 1276 OG SER B 17 2.526 7.730 -5.603 1.00 0.72 O ATOM 0 H SER B 17 1.951 6.135 -4.009 1.00 0.57 H new ATOM 0 HA SER B 17 0.362 8.533 -4.254 1.00 0.60 H new ATOM 0 HB2 SER B 17 1.064 6.487 -6.423 1.00 0.68 H new ATOM 0 HB3 SER B 17 0.777 8.203 -6.638 1.00 0.68 H new ATOM 0 HG SER B 17 2.570 8.532 -5.041 1.00 0.72 H new ATOM 1282 N GLN B 18 -1.109 5.721 -5.125 1.00 0.57 N ATOM 1283 CA GLN B 18 -2.448 5.104 -5.324 1.00 0.57 C ATOM 1284 C GLN B 18 -3.285 5.271 -4.073 1.00 0.51 C ATOM 1285 O GLN B 18 -4.335 5.874 -4.086 1.00 0.51 O ATOM 1286 CB GLN B 18 -2.304 3.612 -5.607 1.00 0.65 C ATOM 1287 CG GLN B 18 -1.443 3.385 -6.837 1.00 0.91 C ATOM 1288 CD GLN B 18 -1.234 1.876 -6.935 1.00 1.11 C ATOM 1289 OE1 GLN B 18 -0.226 1.356 -6.496 1.00 1.80 O ATOM 1290 NE2 GLN B 18 -2.157 1.141 -7.495 1.00 1.05 N ATOM 0 H GLN B 18 -0.317 5.102 -5.297 1.00 0.57 H new ATOM 0 HA GLN B 18 -2.930 5.598 -6.168 1.00 0.57 H new ATOM 0 HB2 GLN B 18 -1.858 3.114 -4.746 1.00 0.65 H new ATOM 0 HB3 GLN B 18 -3.288 3.168 -5.757 1.00 0.65 H new ATOM 0 HG2 GLN B 18 -1.933 3.770 -7.732 1.00 0.91 H new ATOM 0 HG3 GLN B 18 -0.490 3.905 -6.747 1.00 0.91 H new ATOM 0 HE21 GLN B 18 -3.002 1.577 -7.863 1.00 1.05 H new ATOM 0 HE22 GLN B 18 -2.032 0.131 -7.564 1.00 1.05 H new ATOM 1299 N THR B 19 -2.761 4.709 -3.030 1.00 0.48 N ATOM 1300 CA THR B 19 -3.424 4.738 -1.713 1.00 0.44 C ATOM 1301 C THR B 19 -3.803 6.165 -1.324 1.00 0.43 C ATOM 1302 O THR B 19 -4.786 6.372 -0.642 1.00 0.46 O ATOM 1303 CB THR B 19 -2.439 4.109 -0.728 1.00 0.46 C ATOM 1304 OG1 THR B 19 -2.125 2.866 -1.346 1.00 0.56 O ATOM 1305 CG2 THR B 19 -3.119 3.728 0.597 1.00 0.48 C ATOM 0 H THR B 19 -1.869 4.214 -3.040 1.00 0.48 H new ATOM 0 HA THR B 19 -4.361 4.181 -1.720 1.00 0.44 H new ATOM 0 HB THR B 19 -1.611 4.787 -0.521 1.00 0.46 H new ATOM 0 HG1 THR B 19 -1.270 2.942 -1.819 1.00 0.56 H new ATOM 0 HG21 THR B 19 -2.384 3.284 1.269 1.00 0.48 H new ATOM 0 HG22 THR B 19 -3.541 4.620 1.059 1.00 0.48 H new ATOM 0 HG23 THR B 19 -3.915 3.009 0.404 1.00 0.48 H new ATOM 1313 N LEU B 20 -3.040 7.127 -1.752 1.00 0.45 N ATOM 1314 CA LEU B 20 -3.411 8.505 -1.357 1.00 0.51 C ATOM 1315 C LEU B 20 -4.677 8.889 -2.092 1.00 0.53 C ATOM 1316 O LEU B 20 -5.623 9.366 -1.498 1.00 0.57 O ATOM 1317 CB LEU B 20 -2.291 9.483 -1.729 1.00 0.57 C ATOM 1318 CG LEU B 20 -2.704 10.937 -1.399 1.00 0.69 C ATOM 1319 CD1 LEU B 20 -3.033 11.088 0.103 1.00 1.31 C ATOM 1320 CD2 LEU B 20 -1.535 11.871 -1.745 1.00 1.25 C ATOM 0 H LEU B 20 -2.209 7.026 -2.335 1.00 0.45 H new ATOM 0 HA LEU B 20 -3.568 8.547 -0.279 1.00 0.51 H new ATOM 0 HB2 LEU B 20 -1.381 9.226 -1.186 1.00 0.57 H new ATOM 0 HB3 LEU B 20 -2.063 9.396 -2.791 1.00 0.57 H new ATOM 0 HG LEU B 20 -3.591 11.191 -1.979 1.00 0.69 H new ATOM 0 HD11 LEU B 20 -3.321 12.119 0.311 1.00 1.31 H new ATOM 0 HD12 LEU B 20 -3.856 10.422 0.364 1.00 1.31 H new ATOM 0 HD13 LEU B 20 -2.155 10.830 0.695 1.00 1.31 H new ATOM 0 HD21 LEU B 20 -1.812 12.900 -1.517 1.00 1.25 H new ATOM 0 HD22 LEU B 20 -0.660 11.592 -1.157 1.00 1.25 H new ATOM 0 HD23 LEU B 20 -1.302 11.784 -2.806 1.00 1.25 H new ATOM 1332 N THR B 21 -4.677 8.669 -3.372 1.00 0.59 N ATOM 1333 CA THR B 21 -5.883 9.063 -4.134 1.00 0.70 C ATOM 1334 C THR B 21 -7.016 8.109 -3.761 1.00 0.63 C ATOM 1335 O THR B 21 -8.182 8.398 -3.944 1.00 0.69 O ATOM 1336 CB THR B 21 -5.535 8.967 -5.608 1.00 0.85 C ATOM 1337 OG1 THR B 21 -4.217 9.503 -5.680 1.00 0.87 O ATOM 1338 CG2 THR B 21 -6.391 9.949 -6.428 1.00 1.02 C ATOM 0 H THR B 21 -3.919 8.247 -3.909 1.00 0.59 H new ATOM 0 HA THR B 21 -6.205 10.079 -3.908 1.00 0.70 H new ATOM 0 HB THR B 21 -5.667 7.949 -5.975 1.00 0.85 H new ATOM 0 HG1 THR B 21 -3.905 9.479 -6.609 1.00 0.87 H new ATOM 0 HG21 THR B 21 -6.129 9.867 -7.483 1.00 1.02 H new ATOM 0 HG22 THR B 21 -7.446 9.709 -6.297 1.00 1.02 H new ATOM 0 HG23 THR B 21 -6.205 10.967 -6.086 1.00 1.02 H new ATOM 1346 N LEU B 22 -6.650 6.979 -3.236 1.00 0.54 N ATOM 1347 CA LEU B 22 -7.708 6.017 -2.866 1.00 0.52 C ATOM 1348 C LEU B 22 -8.370 6.591 -1.640 1.00 0.45 C ATOM 1349 O LEU B 22 -9.576 6.587 -1.541 1.00 0.49 O ATOM 1350 CB LEU B 22 -7.093 4.655 -2.531 1.00 0.59 C ATOM 1351 CG LEU B 22 -8.192 3.635 -2.148 1.00 0.89 C ATOM 1352 CD1 LEU B 22 -9.127 3.347 -3.343 1.00 1.71 C ATOM 1353 CD2 LEU B 22 -7.517 2.329 -1.702 1.00 1.25 C ATOM 0 H LEU B 22 -5.690 6.687 -3.052 1.00 0.54 H new ATOM 0 HA LEU B 22 -8.416 5.868 -3.681 1.00 0.52 H new ATOM 0 HB2 LEU B 22 -6.530 4.285 -3.387 1.00 0.59 H new ATOM 0 HB3 LEU B 22 -6.387 4.762 -1.707 1.00 0.59 H new ATOM 0 HG LEU B 22 -8.793 4.052 -1.340 1.00 0.89 H new ATOM 0 HD11 LEU B 22 -9.889 2.627 -3.044 1.00 1.71 H new ATOM 0 HD12 LEU B 22 -9.607 4.273 -3.661 1.00 1.71 H new ATOM 0 HD13 LEU B 22 -8.546 2.938 -4.169 1.00 1.71 H new ATOM 0 HD21 LEU B 22 -8.280 1.600 -1.429 1.00 1.25 H new ATOM 0 HD22 LEU B 22 -6.914 1.934 -2.519 1.00 1.25 H new ATOM 0 HD23 LEU B 22 -6.878 2.525 -0.841 1.00 1.25 H new ATOM 1365 N LEU B 23 -7.548 7.068 -0.750 1.00 0.43 N ATOM 1366 CA LEU B 23 -8.063 7.648 0.517 1.00 0.44 C ATOM 1367 C LEU B 23 -9.081 8.699 0.128 1.00 0.48 C ATOM 1368 O LEU B 23 -10.199 8.705 0.599 1.00 0.52 O ATOM 1369 CB LEU B 23 -6.885 8.272 1.281 1.00 0.53 C ATOM 1370 CG LEU B 23 -7.228 8.528 2.765 1.00 0.73 C ATOM 1371 CD1 LEU B 23 -5.942 8.865 3.510 1.00 1.08 C ATOM 1372 CD2 LEU B 23 -8.178 9.724 2.933 1.00 1.05 C ATOM 0 H LEU B 23 -6.533 7.080 -0.848 1.00 0.43 H new ATOM 0 HA LEU B 23 -8.527 6.901 1.161 1.00 0.44 H new ATOM 0 HB2 LEU B 23 -6.021 7.611 1.218 1.00 0.53 H new ATOM 0 HB3 LEU B 23 -6.603 9.212 0.807 1.00 0.53 H new ATOM 0 HG LEU B 23 -7.710 7.631 3.155 1.00 0.73 H new ATOM 0 HD11 LEU B 23 -6.168 9.049 4.560 1.00 1.08 H new ATOM 0 HD12 LEU B 23 -5.245 8.031 3.429 1.00 1.08 H new ATOM 0 HD13 LEU B 23 -5.492 9.757 3.074 1.00 1.08 H new ATOM 0 HD21 LEU B 23 -8.395 9.871 3.991 1.00 1.05 H new ATOM 0 HD22 LEU B 23 -7.708 10.621 2.531 1.00 1.05 H new ATOM 0 HD23 LEU B 23 -9.106 9.529 2.396 1.00 1.05 H new ATOM 1384 N GLU B 24 -8.635 9.560 -0.735 1.00 0.57 N ATOM 1385 CA GLU B 24 -9.497 10.660 -1.228 1.00 0.71 C ATOM 1386 C GLU B 24 -10.845 10.074 -1.635 1.00 0.67 C ATOM 1387 O GLU B 24 -11.882 10.425 -1.114 1.00 0.69 O ATOM 1388 CB GLU B 24 -8.775 11.285 -2.415 1.00 0.90 C ATOM 1389 CG GLU B 24 -9.464 12.531 -2.931 1.00 1.37 C ATOM 1390 CD GLU B 24 -8.744 12.921 -4.222 1.00 1.52 C ATOM 1391 OE1 GLU B 24 -8.540 12.013 -5.011 1.00 1.83 O ATOM 1392 OE2 GLU B 24 -8.443 14.091 -4.344 1.00 1.84 O ATOM 0 H GLU B 24 -7.693 9.547 -1.126 1.00 0.57 H new ATOM 0 HA GLU B 24 -9.680 11.421 -0.470 1.00 0.71 H new ATOM 0 HB2 GLU B 24 -7.755 11.534 -2.124 1.00 0.90 H new ATOM 0 HB3 GLU B 24 -8.707 10.553 -3.220 1.00 0.90 H new ATOM 0 HG2 GLU B 24 -10.521 12.341 -3.118 1.00 1.37 H new ATOM 0 HG3 GLU B 24 -9.410 13.336 -2.198 1.00 1.37 H new ATOM 1399 N LYS B 25 -10.785 9.175 -2.570 1.00 0.67 N ATOM 1400 CA LYS B 25 -12.040 8.552 -3.061 1.00 0.72 C ATOM 1401 C LYS B 25 -12.791 7.850 -1.941 1.00 0.68 C ATOM 1402 O LYS B 25 -13.999 7.749 -1.986 1.00 0.75 O ATOM 1403 CB LYS B 25 -11.679 7.558 -4.158 1.00 0.81 C ATOM 1404 CG LYS B 25 -10.992 8.330 -5.307 1.00 0.95 C ATOM 1405 CD LYS B 25 -12.030 9.099 -6.128 1.00 1.36 C ATOM 1406 CE LYS B 25 -11.509 10.538 -6.351 1.00 1.57 C ATOM 1407 NZ LYS B 25 -11.390 11.268 -5.065 1.00 1.86 N ATOM 0 H LYS B 25 -9.928 8.845 -3.014 1.00 0.67 H new ATOM 0 HA LYS B 25 -12.698 9.329 -3.450 1.00 0.72 H new ATOM 0 HB2 LYS B 25 -11.014 6.787 -3.768 1.00 0.81 H new ATOM 0 HB3 LYS B 25 -12.574 7.053 -4.522 1.00 0.81 H new ATOM 0 HG2 LYS B 25 -10.256 9.023 -4.899 1.00 0.95 H new ATOM 0 HG3 LYS B 25 -10.453 7.634 -5.950 1.00 0.95 H new ATOM 0 HD2 LYS B 25 -12.199 8.604 -7.085 1.00 1.36 H new ATOM 0 HD3 LYS B 25 -12.987 9.119 -5.606 1.00 1.36 H new ATOM 0 HE2 LYS B 25 -10.538 10.504 -6.845 1.00 1.57 H new ATOM 0 HE3 LYS B 25 -12.186 11.074 -7.016 1.00 1.57 H new ATOM 0 HZ1 LYS B 25 -11.801 12.218 -5.166 1.00 1.86 H new ATOM 0 HZ2 LYS B 25 -11.899 10.748 -4.322 1.00 1.86 H new ATOM 0 HZ3 LYS B 25 -10.387 11.350 -4.804 1.00 1.86 H new ATOM 1421 N LEU B 26 -12.095 7.374 -0.952 1.00 0.65 N ATOM 1422 CA LEU B 26 -12.845 6.690 0.122 1.00 0.67 C ATOM 1423 C LEU B 26 -13.668 7.753 0.808 1.00 0.65 C ATOM 1424 O LEU B 26 -14.821 7.530 1.104 1.00 0.73 O ATOM 1425 CB LEU B 26 -11.888 6.043 1.144 1.00 0.68 C ATOM 1426 CG LEU B 26 -11.216 4.790 0.532 1.00 0.80 C ATOM 1427 CD1 LEU B 26 -10.097 4.313 1.471 1.00 1.21 C ATOM 1428 CD2 LEU B 26 -12.243 3.648 0.392 1.00 1.22 C ATOM 0 H LEU B 26 -11.082 7.426 -0.843 1.00 0.65 H new ATOM 0 HA LEU B 26 -13.465 5.895 -0.293 1.00 0.67 H new ATOM 0 HB2 LEU B 26 -11.126 6.762 1.445 1.00 0.68 H new ATOM 0 HB3 LEU B 26 -12.438 5.766 2.043 1.00 0.68 H new ATOM 0 HG LEU B 26 -10.818 5.049 -0.449 1.00 0.80 H new ATOM 0 HD11 LEU B 26 -9.618 3.430 1.047 1.00 1.21 H new ATOM 0 HD12 LEU B 26 -9.358 5.106 1.588 1.00 1.21 H new ATOM 0 HD13 LEU B 26 -10.520 4.064 2.444 1.00 1.21 H new ATOM 0 HD21 LEU B 26 -11.757 2.773 -0.040 1.00 1.22 H new ATOM 0 HD22 LEU B 26 -12.641 3.394 1.374 1.00 1.22 H new ATOM 0 HD23 LEU B 26 -13.057 3.969 -0.258 1.00 1.22 H new ATOM 1440 N ASN B 27 -13.068 8.882 1.038 1.00 0.60 N ATOM 1441 CA ASN B 27 -13.828 9.960 1.720 1.00 0.66 C ATOM 1442 C ASN B 27 -15.068 10.285 0.928 1.00 0.68 C ATOM 1443 O ASN B 27 -16.133 10.474 1.476 1.00 0.79 O ATOM 1444 CB ASN B 27 -13.005 11.235 1.829 1.00 0.76 C ATOM 1445 CG ASN B 27 -11.801 10.996 2.731 1.00 1.02 C ATOM 1446 OD1 ASN B 27 -10.690 11.344 2.379 1.00 1.70 O ATOM 1447 ND2 ASN B 27 -11.968 10.414 3.889 1.00 1.70 N ATOM 0 H ASN B 27 -12.104 9.104 0.790 1.00 0.60 H new ATOM 0 HA ASN B 27 -14.079 9.602 2.718 1.00 0.66 H new ATOM 0 HB2 ASN B 27 -12.673 11.550 0.840 1.00 0.76 H new ATOM 0 HB3 ASN B 27 -13.618 12.041 2.231 1.00 0.76 H new ATOM 0 HD21 ASN B 27 -11.166 10.251 4.498 1.00 1.70 H new ATOM 0 HD22 ASN B 27 -12.900 10.122 4.184 1.00 1.70 H new ATOM 1454 N GLU B 28 -14.902 10.347 -0.359 1.00 0.70 N ATOM 1455 CA GLU B 28 -16.074 10.676 -1.204 1.00 0.83 C ATOM 1456 C GLU B 28 -17.137 9.599 -1.065 1.00 0.86 C ATOM 1457 O GLU B 28 -18.316 9.879 -1.109 1.00 0.97 O ATOM 1458 CB GLU B 28 -15.599 10.785 -2.644 1.00 1.00 C ATOM 1459 CG GLU B 28 -14.528 11.881 -2.683 1.00 1.12 C ATOM 1460 CD GLU B 28 -14.030 12.019 -4.109 1.00 1.86 C ATOM 1461 OE1 GLU B 28 -14.146 11.041 -4.824 1.00 2.24 O ATOM 1462 OE2 GLU B 28 -13.549 13.092 -4.418 1.00 2.61 O ATOM 0 H GLU B 28 -14.024 10.188 -0.854 1.00 0.70 H new ATOM 0 HA GLU B 28 -16.518 11.621 -0.890 1.00 0.83 H new ATOM 0 HB2 GLU B 28 -15.191 9.835 -2.988 1.00 1.00 H new ATOM 0 HB3 GLU B 28 -16.429 11.033 -3.306 1.00 1.00 H new ATOM 0 HG2 GLU B 28 -14.942 12.827 -2.333 1.00 1.12 H new ATOM 0 HG3 GLU B 28 -13.703 11.628 -2.017 1.00 1.12 H new ATOM 1469 N LEU B 29 -16.697 8.386 -0.899 1.00 0.84 N ATOM 1470 CA LEU B 29 -17.670 7.270 -0.750 1.00 0.98 C ATOM 1471 C LEU B 29 -18.015 7.074 0.729 1.00 1.03 C ATOM 1472 O LEU B 29 -18.345 5.978 1.147 1.00 1.19 O ATOM 1473 CB LEU B 29 -17.038 5.992 -1.342 1.00 1.02 C ATOM 1474 CG LEU B 29 -17.242 5.941 -2.891 1.00 1.07 C ATOM 1475 CD1 LEU B 29 -16.792 7.232 -3.604 1.00 1.79 C ATOM 1476 CD2 LEU B 29 -16.425 4.773 -3.463 1.00 1.43 C ATOM 0 H LEU B 29 -15.713 8.119 -0.860 1.00 0.84 H new ATOM 0 HA LEU B 29 -18.594 7.497 -1.282 1.00 0.98 H new ATOM 0 HB2 LEU B 29 -15.973 5.965 -1.109 1.00 1.02 H new ATOM 0 HB3 LEU B 29 -17.487 5.112 -0.882 1.00 1.02 H new ATOM 0 HG LEU B 29 -18.311 5.818 -3.066 1.00 1.07 H new ATOM 0 HD11 LEU B 29 -16.960 7.133 -4.676 1.00 1.79 H new ATOM 0 HD12 LEU B 29 -17.366 8.077 -3.224 1.00 1.79 H new ATOM 0 HD13 LEU B 29 -15.732 7.400 -3.417 1.00 1.79 H new ATOM 0 HD21 LEU B 29 -16.561 4.729 -4.544 1.00 1.43 H new ATOM 0 HD22 LEU B 29 -15.369 4.922 -3.236 1.00 1.43 H new ATOM 0 HD23 LEU B 29 -16.764 3.838 -3.016 1.00 1.43 H new ATOM 1488 N ASP B 30 -17.925 8.147 1.473 1.00 0.98 N ATOM 1489 CA ASP B 30 -18.235 8.131 2.940 1.00 1.11 C ATOM 1490 C ASP B 30 -17.493 7.022 3.637 1.00 1.16 C ATOM 1491 O ASP B 30 -17.845 6.635 4.734 1.00 1.63 O ATOM 1492 CB ASP B 30 -19.721 7.893 3.202 1.00 1.35 C ATOM 1493 CG ASP B 30 -20.531 8.993 2.530 1.00 1.82 C ATOM 1494 OD1 ASP B 30 -20.750 8.830 1.342 1.00 2.23 O ATOM 1495 OD2 ASP B 30 -20.880 9.918 3.244 1.00 2.45 O ATOM 0 H ASP B 30 -17.642 9.060 1.117 1.00 0.98 H new ATOM 0 HA ASP B 30 -17.933 9.107 3.320 1.00 1.11 H new ATOM 0 HB2 ASP B 30 -20.019 6.918 2.816 1.00 1.35 H new ATOM 0 HB3 ASP B 30 -19.917 7.884 4.274 1.00 1.35 H new ATOM 1500 N ALA B 31 -16.488 6.522 2.992 1.00 0.84 N ATOM 1501 CA ALA B 31 -15.718 5.403 3.583 1.00 0.87 C ATOM 1502 C ALA B 31 -14.588 5.955 4.428 1.00 0.76 C ATOM 1503 O ALA B 31 -13.453 5.550 4.276 1.00 0.75 O ATOM 1504 CB ALA B 31 -15.150 4.533 2.465 1.00 0.89 C ATOM 0 H ALA B 31 -16.164 6.840 2.078 1.00 0.84 H new ATOM 0 HA ALA B 31 -16.374 4.801 4.212 1.00 0.87 H new ATOM 0 HB1 ALA B 31 -14.583 3.709 2.898 1.00 0.89 H new ATOM 0 HB2 ALA B 31 -15.967 4.135 1.863 1.00 0.89 H new ATOM 0 HB3 ALA B 31 -14.494 5.133 1.835 1.00 0.89 H new ATOM 1510 N ASP B 32 -14.933 6.863 5.295 1.00 0.85 N ATOM 1511 CA ASP B 32 -13.894 7.476 6.167 1.00 0.87 C ATOM 1512 C ASP B 32 -13.269 6.439 7.059 1.00 0.79 C ATOM 1513 O ASP B 32 -12.107 6.544 7.382 1.00 0.74 O ATOM 1514 CB ASP B 32 -14.482 8.548 7.069 1.00 1.11 C ATOM 1515 CG ASP B 32 -14.957 9.729 6.226 1.00 2.05 C ATOM 1516 OD1 ASP B 32 -14.743 9.665 5.026 1.00 2.83 O ATOM 1517 OD2 ASP B 32 -15.507 10.633 6.829 1.00 2.57 O ATOM 0 H ASP B 32 -15.883 7.206 5.438 1.00 0.85 H new ATOM 0 HA ASP B 32 -13.152 7.915 5.500 1.00 0.87 H new ATOM 0 HB2 ASP B 32 -15.315 8.139 7.640 1.00 1.11 H new ATOM 0 HB3 ASP B 32 -13.734 8.881 7.789 1.00 1.11 H new ATOM 1522 N GLU B 33 -14.040 5.466 7.444 1.00 0.86 N ATOM 1523 CA GLU B 33 -13.462 4.416 8.321 1.00 0.90 C ATOM 1524 C GLU B 33 -12.291 3.851 7.534 1.00 0.78 C ATOM 1525 O GLU B 33 -11.178 3.733 8.004 1.00 0.79 O ATOM 1526 CB GLU B 33 -14.450 3.266 8.585 1.00 1.07 C ATOM 1527 CG GLU B 33 -15.905 3.746 8.643 1.00 1.58 C ATOM 1528 CD GLU B 33 -16.530 3.428 7.289 1.00 1.74 C ATOM 1529 OE1 GLU B 33 -16.162 4.097 6.347 1.00 2.11 O ATOM 1530 OE2 GLU B 33 -17.346 2.528 7.237 1.00 2.15 O ATOM 0 H GLU B 33 -15.023 5.352 7.197 1.00 0.86 H new ATOM 0 HA GLU B 33 -13.193 4.841 9.288 1.00 0.90 H new ATOM 0 HB2 GLU B 33 -14.349 2.516 7.800 1.00 1.07 H new ATOM 0 HB3 GLU B 33 -14.193 2.779 9.526 1.00 1.07 H new ATOM 0 HG2 GLU B 33 -16.446 3.244 9.445 1.00 1.58 H new ATOM 0 HG3 GLU B 33 -15.951 4.816 8.848 1.00 1.58 H new ATOM 1537 N GLN B 34 -12.590 3.512 6.314 1.00 0.71 N ATOM 1538 CA GLN B 34 -11.520 2.945 5.460 1.00 0.67 C ATOM 1539 C GLN B 34 -10.461 4.001 5.226 1.00 0.57 C ATOM 1540 O GLN B 34 -9.333 3.672 4.928 1.00 0.53 O ATOM 1541 CB GLN B 34 -12.078 2.509 4.105 1.00 0.72 C ATOM 1542 CG GLN B 34 -12.781 1.154 4.196 1.00 0.88 C ATOM 1543 CD GLN B 34 -13.784 1.139 5.344 1.00 1.49 C ATOM 1544 OE1 GLN B 34 -14.818 1.931 5.302 1.00 2.26 O flip ATOM 1545 NE2 GLN B 34 -13.621 0.398 6.290 1.00 1.80 N flip ATOM 0 H GLN B 34 -13.509 3.601 5.880 1.00 0.71 H new ATOM 0 HA GLN B 34 -11.097 2.078 5.967 1.00 0.67 H new ATOM 0 HB2 GLN B 34 -12.779 3.260 3.741 1.00 0.72 H new ATOM 0 HB3 GLN B 34 -11.267 2.451 3.379 1.00 0.72 H new ATOM 0 HG2 GLN B 34 -13.293 0.941 3.257 1.00 0.88 H new ATOM 0 HG3 GLN B 34 -12.043 0.366 4.342 1.00 0.88 H new ATOM 0 HE21 GLN B 34 -12.811 -0.221 6.320 1.00 1.80 H new ATOM 0 HE22 GLN B 34 -14.294 0.393 7.056 1.00 1.80 H new ATOM 1554 N ALA B 35 -10.824 5.243 5.355 1.00 0.58 N ATOM 1555 CA ALA B 35 -9.793 6.283 5.124 1.00 0.56 C ATOM 1556 C ALA B 35 -8.821 6.254 6.285 1.00 0.56 C ATOM 1557 O ALA B 35 -7.639 6.414 6.076 1.00 0.54 O ATOM 1558 CB ALA B 35 -10.408 7.678 5.058 1.00 0.65 C ATOM 0 H ALA B 35 -11.756 5.575 5.602 1.00 0.58 H new ATOM 0 HA ALA B 35 -9.300 6.074 4.175 1.00 0.56 H new ATOM 0 HB1 ALA B 35 -9.622 8.414 4.888 1.00 0.65 H new ATOM 0 HB2 ALA B 35 -11.128 7.720 4.241 1.00 0.65 H new ATOM 0 HB3 ALA B 35 -10.913 7.898 5.998 1.00 0.65 H new ATOM 1564 N ASP B 36 -9.320 6.051 7.472 1.00 0.62 N ATOM 1565 CA ASP B 36 -8.402 6.018 8.649 1.00 0.67 C ATOM 1566 C ASP B 36 -7.437 4.894 8.400 1.00 0.60 C ATOM 1567 O ASP B 36 -6.233 5.015 8.504 1.00 0.62 O ATOM 1568 CB ASP B 36 -9.145 5.701 9.939 1.00 0.79 C ATOM 1569 CG ASP B 36 -10.276 6.700 10.130 1.00 1.21 C ATOM 1570 OD1 ASP B 36 -9.989 7.873 9.960 1.00 1.65 O ATOM 1571 OD2 ASP B 36 -11.357 6.226 10.432 1.00 1.67 O ATOM 0 H ASP B 36 -10.309 5.908 7.679 1.00 0.62 H new ATOM 0 HA ASP B 36 -7.923 6.991 8.760 1.00 0.67 H new ATOM 0 HB2 ASP B 36 -9.543 4.687 9.902 1.00 0.79 H new ATOM 0 HB3 ASP B 36 -8.460 5.744 10.786 1.00 0.79 H new ATOM 1576 N ILE B 37 -8.041 3.797 8.067 1.00 0.55 N ATOM 1577 CA ILE B 37 -7.253 2.581 7.786 1.00 0.52 C ATOM 1578 C ILE B 37 -6.290 2.904 6.650 1.00 0.47 C ATOM 1579 O ILE B 37 -5.180 2.412 6.607 1.00 0.50 O ATOM 1580 CB ILE B 37 -8.246 1.465 7.404 1.00 0.53 C ATOM 1581 CG1 ILE B 37 -9.196 1.251 8.607 1.00 0.68 C ATOM 1582 CG2 ILE B 37 -7.497 0.161 7.126 1.00 0.57 C ATOM 1583 CD1 ILE B 37 -10.260 0.195 8.274 1.00 1.12 C ATOM 0 H ILE B 37 -9.052 3.691 7.977 1.00 0.55 H new ATOM 0 HA ILE B 37 -6.669 2.247 8.644 1.00 0.52 H new ATOM 0 HB ILE B 37 -8.798 1.749 6.508 1.00 0.53 H new ATOM 0 HG12 ILE B 37 -8.623 0.935 9.478 1.00 0.68 H new ATOM 0 HG13 ILE B 37 -9.679 2.193 8.868 1.00 0.68 H new ATOM 0 HG21 ILE B 37 -8.210 -0.618 6.858 1.00 0.57 H new ATOM 0 HG22 ILE B 37 -6.797 0.311 6.304 1.00 0.57 H new ATOM 0 HG23 ILE B 37 -6.949 -0.141 8.018 1.00 0.57 H new ATOM 0 HD11 ILE B 37 -10.918 0.059 9.132 1.00 1.12 H new ATOM 0 HD12 ILE B 37 -10.846 0.526 7.416 1.00 1.12 H new ATOM 0 HD13 ILE B 37 -9.772 -0.751 8.037 1.00 1.12 H new ATOM 1595 N CYS B 38 -6.738 3.733 5.753 1.00 0.45 N ATOM 1596 CA CYS B 38 -5.868 4.075 4.604 1.00 0.47 C ATOM 1597 C CYS B 38 -4.745 4.986 5.063 1.00 0.50 C ATOM 1598 O CYS B 38 -3.679 4.954 4.485 1.00 0.57 O ATOM 1599 CB CYS B 38 -6.686 4.786 3.530 1.00 0.48 C ATOM 1600 SG CYS B 38 -5.898 5.082 1.928 1.00 0.70 S ATOM 0 H CYS B 38 -7.654 4.181 5.766 1.00 0.45 H new ATOM 0 HA CYS B 38 -5.447 3.157 4.193 1.00 0.47 H new ATOM 0 HB2 CYS B 38 -7.590 4.202 3.356 1.00 0.48 H new ATOM 0 HB3 CYS B 38 -7.001 5.749 3.932 1.00 0.48 H new ATOM 0 HG CYS B 38 -6.812 5.288 1.027 1.00 0.70 H new ATOM 1606 N GLU B 39 -4.987 5.773 6.074 1.00 0.54 N ATOM 1607 CA GLU B 39 -3.902 6.670 6.542 1.00 0.62 C ATOM 1608 C GLU B 39 -2.829 5.787 7.131 1.00 0.58 C ATOM 1609 O GLU B 39 -1.671 5.859 6.779 1.00 0.57 O ATOM 1610 CB GLU B 39 -4.387 7.620 7.650 1.00 0.75 C ATOM 1611 CG GLU B 39 -5.362 8.676 7.124 1.00 1.35 C ATOM 1612 CD GLU B 39 -4.584 9.784 6.401 1.00 2.07 C ATOM 1613 OE1 GLU B 39 -3.411 9.571 6.141 1.00 2.39 O ATOM 1614 OE2 GLU B 39 -5.215 10.794 6.151 1.00 2.82 O ATOM 0 H GLU B 39 -5.868 5.832 6.584 1.00 0.54 H new ATOM 0 HA GLU B 39 -3.549 7.272 5.705 1.00 0.62 H new ATOM 0 HB2 GLU B 39 -4.872 7.041 8.436 1.00 0.75 H new ATOM 0 HB3 GLU B 39 -3.528 8.115 8.103 1.00 0.75 H new ATOM 0 HG2 GLU B 39 -6.078 8.217 6.442 1.00 1.35 H new ATOM 0 HG3 GLU B 39 -5.935 9.099 7.949 1.00 1.35 H new ATOM 1621 N SER B 40 -3.256 4.956 8.030 1.00 0.63 N ATOM 1622 CA SER B 40 -2.280 4.061 8.684 1.00 0.64 C ATOM 1623 C SER B 40 -1.608 3.198 7.626 1.00 0.58 C ATOM 1624 O SER B 40 -0.444 2.873 7.728 1.00 0.63 O ATOM 1625 CB SER B 40 -3.038 3.213 9.682 1.00 0.72 C ATOM 1626 OG SER B 40 -3.797 4.176 10.403 1.00 0.77 O ATOM 0 H SER B 40 -4.224 4.859 8.336 1.00 0.63 H new ATOM 0 HA SER B 40 -1.503 4.624 9.201 1.00 0.64 H new ATOM 0 HB2 SER B 40 -3.678 2.482 9.188 1.00 0.72 H new ATOM 0 HB3 SER B 40 -2.364 2.658 10.335 1.00 0.72 H new ATOM 0 HG SER B 40 -4.335 3.724 11.086 1.00 0.77 H new ATOM 1632 N LEU B 41 -2.355 2.846 6.623 1.00 0.54 N ATOM 1633 CA LEU B 41 -1.757 1.992 5.571 1.00 0.53 C ATOM 1634 C LEU B 41 -0.723 2.796 4.821 1.00 0.50 C ATOM 1635 O LEU B 41 0.321 2.299 4.458 1.00 0.55 O ATOM 1636 CB LEU B 41 -2.831 1.546 4.591 1.00 0.56 C ATOM 1637 CG LEU B 41 -2.277 0.480 3.618 1.00 0.63 C ATOM 1638 CD1 LEU B 41 -1.935 -0.819 4.376 1.00 1.05 C ATOM 1639 CD2 LEU B 41 -3.343 0.171 2.557 1.00 1.22 C ATOM 0 H LEU B 41 -3.332 3.106 6.488 1.00 0.54 H new ATOM 0 HA LEU B 41 -1.301 1.117 6.033 1.00 0.53 H new ATOM 0 HB2 LEU B 41 -3.682 1.139 5.137 1.00 0.56 H new ATOM 0 HB3 LEU B 41 -3.195 2.405 4.028 1.00 0.56 H new ATOM 0 HG LEU B 41 -1.372 0.866 3.150 1.00 0.63 H new ATOM 0 HD11 LEU B 41 -1.547 -1.558 3.675 1.00 1.05 H new ATOM 0 HD12 LEU B 41 -1.183 -0.609 5.136 1.00 1.05 H new ATOM 0 HD13 LEU B 41 -2.834 -1.209 4.853 1.00 1.05 H new ATOM 0 HD21 LEU B 41 -2.961 -0.580 1.866 1.00 1.22 H new ATOM 0 HD22 LEU B 41 -4.242 -0.207 3.044 1.00 1.22 H new ATOM 0 HD23 LEU B 41 -3.584 1.081 2.007 1.00 1.22 H new ATOM 1651 N HIS B 42 -1.063 4.029 4.612 1.00 0.50 N ATOM 1652 CA HIS B 42 -0.145 4.925 3.863 1.00 0.53 C ATOM 1653 C HIS B 42 1.162 5.063 4.619 1.00 0.55 C ATOM 1654 O HIS B 42 2.217 4.818 4.076 1.00 0.63 O ATOM 1655 CB HIS B 42 -0.784 6.307 3.705 1.00 0.54 C ATOM 1656 CG HIS B 42 0.078 7.141 2.755 1.00 0.60 C ATOM 1657 ND1 HIS B 42 -0.263 7.484 1.553 1.00 0.61 N ATOM 1658 CD2 HIS B 42 1.338 7.697 2.924 1.00 1.21 C ATOM 1659 CE1 HIS B 42 0.685 8.184 1.020 1.00 0.64 C ATOM 1660 NE2 HIS B 42 1.697 8.341 1.834 1.00 1.13 N ATOM 0 H HIS B 42 -1.934 4.457 4.925 1.00 0.50 H new ATOM 0 HA HIS B 42 0.045 4.497 2.878 1.00 0.53 H new ATOM 0 HB2 HIS B 42 -1.796 6.212 3.312 1.00 0.54 H new ATOM 0 HB3 HIS B 42 -0.863 6.800 4.674 1.00 0.54 H new ATOM 0 HD1 HIS B 42 -1.143 7.240 1.098 1.00 0.61 H new ATOM 0 HD2 HIS B 42 1.936 7.613 3.819 1.00 1.21 H new ATOM 0 HE1 HIS B 42 0.646 8.591 0.020 1.00 0.64 H new ATOM 1668 N ASP B 43 1.049 5.455 5.855 1.00 0.56 N ATOM 1669 CA ASP B 43 2.261 5.639 6.709 1.00 0.64 C ATOM 1670 C ASP B 43 3.053 4.356 6.763 1.00 0.60 C ATOM 1671 O ASP B 43 4.255 4.329 6.601 1.00 0.62 O ATOM 1672 CB ASP B 43 1.859 6.000 8.132 1.00 0.80 C ATOM 1673 CG ASP B 43 3.113 6.057 9.003 1.00 1.22 C ATOM 1674 OD1 ASP B 43 3.472 5.025 9.540 1.00 1.51 O ATOM 1675 OD2 ASP B 43 3.661 7.139 9.092 1.00 1.86 O ATOM 0 H ASP B 43 0.163 5.658 6.317 1.00 0.56 H new ATOM 0 HA ASP B 43 2.860 6.440 6.275 1.00 0.64 H new ATOM 0 HB2 ASP B 43 1.347 6.962 8.146 1.00 0.80 H new ATOM 0 HB3 ASP B 43 1.161 5.261 8.525 1.00 0.80 H new ATOM 1680 N HIS B 44 2.327 3.310 6.999 1.00 0.60 N ATOM 1681 CA HIS B 44 2.974 1.982 7.104 1.00 0.63 C ATOM 1682 C HIS B 44 3.622 1.652 5.768 1.00 0.60 C ATOM 1683 O HIS B 44 4.638 0.994 5.696 1.00 0.68 O ATOM 1684 CB HIS B 44 1.898 0.962 7.460 1.00 0.65 C ATOM 1685 CG HIS B 44 2.517 -0.373 7.868 1.00 1.02 C ATOM 1686 ND1 HIS B 44 1.942 -1.524 7.736 1.00 1.67 N ATOM 1687 CD2 HIS B 44 3.745 -0.665 8.441 1.00 1.54 C ATOM 1688 CE1 HIS B 44 2.724 -2.450 8.183 1.00 2.24 C ATOM 1689 NE2 HIS B 44 3.854 -1.966 8.631 1.00 2.16 N ATOM 0 H HIS B 44 1.315 3.315 7.124 1.00 0.60 H new ATOM 0 HA HIS B 44 3.745 1.970 7.874 1.00 0.63 H new ATOM 0 HB2 HIS B 44 1.285 1.346 8.275 1.00 0.65 H new ATOM 0 HB3 HIS B 44 1.237 0.814 6.606 1.00 0.65 H new ATOM 0 HD1 HIS B 44 1.014 -1.677 7.340 1.00 1.67 H new ATOM 0 HD2 HIS B 44 4.500 0.064 8.694 1.00 1.54 H new ATOM 0 HE1 HIS B 44 2.474 -3.501 8.186 1.00 2.24 H new ATOM 1697 N ALA B 45 3.017 2.124 4.717 1.00 0.57 N ATOM 1698 CA ALA B 45 3.588 1.833 3.376 1.00 0.62 C ATOM 1699 C ALA B 45 4.741 2.776 3.160 1.00 0.59 C ATOM 1700 O ALA B 45 5.616 2.533 2.354 1.00 0.61 O ATOM 1701 CB ALA B 45 2.556 2.074 2.274 1.00 0.70 C ATOM 0 H ALA B 45 2.167 2.688 4.726 1.00 0.57 H new ATOM 0 HA ALA B 45 3.900 0.789 3.336 1.00 0.62 H new ATOM 0 HB1 ALA B 45 3.001 1.853 1.304 1.00 0.70 H new ATOM 0 HB2 ALA B 45 1.695 1.425 2.434 1.00 0.70 H new ATOM 0 HB3 ALA B 45 2.235 3.115 2.297 1.00 0.70 H new ATOM 1707 N ASP B 46 4.709 3.843 3.899 1.00 0.60 N ATOM 1708 CA ASP B 46 5.787 4.840 3.744 1.00 0.65 C ATOM 1709 C ASP B 46 6.990 4.318 4.475 1.00 0.65 C ATOM 1710 O ASP B 46 8.057 4.876 4.371 1.00 0.65 O ATOM 1711 CB ASP B 46 5.334 6.177 4.334 1.00 0.76 C ATOM 1712 CG ASP B 46 6.235 7.322 3.863 1.00 0.88 C ATOM 1713 OD1 ASP B 46 6.801 7.185 2.798 1.00 1.04 O ATOM 1714 OD2 ASP B 46 6.319 8.298 4.581 1.00 1.45 O ATOM 0 H ASP B 46 3.994 4.064 4.592 1.00 0.60 H new ATOM 0 HA ASP B 46 6.029 5.000 2.693 1.00 0.65 H new ATOM 0 HB2 ASP B 46 4.304 6.377 4.040 1.00 0.76 H new ATOM 0 HB3 ASP B 46 5.350 6.122 5.422 1.00 0.76 H new ATOM 1719 N GLU B 47 6.839 3.263 5.216 1.00 0.71 N ATOM 1720 CA GLU B 47 8.060 2.746 5.879 1.00 0.81 C ATOM 1721 C GLU B 47 8.909 2.151 4.774 1.00 0.75 C ATOM 1722 O GLU B 47 10.118 2.267 4.760 1.00 0.81 O ATOM 1723 CB GLU B 47 7.687 1.672 6.877 1.00 0.97 C ATOM 1724 CG GLU B 47 7.178 2.344 8.137 1.00 1.17 C ATOM 1725 CD GLU B 47 8.420 2.921 8.803 1.00 1.52 C ATOM 1726 OE1 GLU B 47 9.117 2.117 9.392 1.00 2.02 O ATOM 1727 OE2 GLU B 47 8.609 4.118 8.679 1.00 1.97 O ATOM 0 H GLU B 47 5.970 2.757 5.387 1.00 0.71 H new ATOM 0 HA GLU B 47 8.591 3.531 6.417 1.00 0.81 H new ATOM 0 HB2 GLU B 47 6.921 1.017 6.461 1.00 0.97 H new ATOM 0 HB3 GLU B 47 8.552 1.048 7.103 1.00 0.97 H new ATOM 0 HG2 GLU B 47 6.456 3.126 7.903 1.00 1.17 H new ATOM 0 HG3 GLU B 47 6.675 1.630 8.790 1.00 1.17 H new ATOM 1734 N LEU B 48 8.226 1.527 3.855 1.00 0.72 N ATOM 1735 CA LEU B 48 8.943 0.898 2.712 1.00 0.77 C ATOM 1736 C LEU B 48 9.590 1.992 1.881 1.00 0.68 C ATOM 1737 O LEU B 48 10.290 1.725 0.927 1.00 0.93 O ATOM 1738 CB LEU B 48 7.971 0.120 1.822 1.00 0.85 C ATOM 1739 CG LEU B 48 7.535 -1.220 2.469 1.00 0.87 C ATOM 1740 CD1 LEU B 48 6.867 -1.016 3.840 1.00 1.52 C ATOM 1741 CD2 LEU B 48 6.543 -1.916 1.524 1.00 1.40 C ATOM 0 H LEU B 48 7.211 1.426 3.846 1.00 0.72 H new ATOM 0 HA LEU B 48 9.692 0.210 3.104 1.00 0.77 H new ATOM 0 HB2 LEU B 48 7.090 0.731 1.626 1.00 0.85 H new ATOM 0 HB3 LEU B 48 8.441 -0.079 0.859 1.00 0.85 H new ATOM 0 HG LEU B 48 8.426 -1.827 2.627 1.00 0.87 H new ATOM 0 HD11 LEU B 48 6.580 -1.983 4.252 1.00 1.52 H new ATOM 0 HD12 LEU B 48 7.567 -0.527 4.517 1.00 1.52 H new ATOM 0 HD13 LEU B 48 5.980 -0.393 3.724 1.00 1.52 H new ATOM 0 HD21 LEU B 48 6.225 -2.862 1.963 1.00 1.40 H new ATOM 0 HD22 LEU B 48 5.674 -1.276 1.373 1.00 1.40 H new ATOM 0 HD23 LEU B 48 7.026 -2.105 0.565 1.00 1.40 H new ATOM 1753 N TYR B 49 9.327 3.207 2.261 1.00 0.59 N ATOM 1754 CA TYR B 49 9.923 4.352 1.550 1.00 0.54 C ATOM 1755 C TYR B 49 10.938 4.821 2.591 1.00 0.59 C ATOM 1756 O TYR B 49 12.086 4.452 2.504 1.00 0.82 O ATOM 1757 CB TYR B 49 8.810 5.355 1.288 1.00 0.61 C ATOM 1758 CG TYR B 49 9.257 6.489 0.373 1.00 0.64 C ATOM 1759 CD1 TYR B 49 9.515 6.235 -0.955 1.00 1.29 C ATOM 1760 CD2 TYR B 49 9.391 7.775 0.850 1.00 1.33 C ATOM 1761 CE1 TYR B 49 9.902 7.251 -1.796 1.00 1.32 C ATOM 1762 CE2 TYR B 49 9.780 8.794 0.007 1.00 1.40 C ATOM 1763 CZ TYR B 49 10.038 8.538 -1.324 1.00 0.85 C ATOM 1764 OH TYR B 49 10.425 9.550 -2.176 1.00 0.99 O ATOM 0 H TYR B 49 8.718 3.452 3.042 1.00 0.59 H new ATOM 0 HA TYR B 49 10.384 4.167 0.580 1.00 0.54 H new ATOM 0 HB2 TYR B 49 7.960 4.842 0.838 1.00 0.61 H new ATOM 0 HB3 TYR B 49 8.467 5.770 2.236 1.00 0.61 H new ATOM 0 HD1 TYR B 49 9.413 5.231 -1.339 1.00 1.29 H new ATOM 0 HD2 TYR B 49 9.190 7.986 1.890 1.00 1.33 H new ATOM 0 HE1 TYR B 49 10.101 7.038 -2.836 1.00 1.32 H new ATOM 0 HE2 TYR B 49 9.883 9.798 0.391 1.00 1.40 H new ATOM 0 HH TYR B 49 10.471 10.395 -1.681 1.00 0.99 H new ATOM 1774 N ARG B 50 10.487 5.597 3.540 1.00 0.71 N ATOM 1775 CA ARG B 50 11.334 6.141 4.643 1.00 0.95 C ATOM 1776 C ARG B 50 12.455 5.227 5.106 1.00 1.15 C ATOM 1777 O ARG B 50 13.621 5.481 4.873 1.00 1.19 O ATOM 1778 CB ARG B 50 10.463 6.440 5.875 1.00 1.20 C ATOM 1779 CG ARG B 50 9.384 7.480 5.554 1.00 1.44 C ATOM 1780 CD ARG B 50 8.538 7.721 6.831 1.00 1.54 C ATOM 1781 NE ARG B 50 7.826 6.467 7.230 1.00 1.70 N ATOM 1782 CZ ARG B 50 6.613 6.544 7.743 1.00 1.79 C ATOM 1783 NH1 ARG B 50 5.772 7.418 7.234 1.00 2.21 N ATOM 1784 NH2 ARG B 50 6.280 5.753 8.740 1.00 2.29 N ATOM 0 H ARG B 50 9.512 5.891 3.597 1.00 0.71 H new ATOM 0 HA ARG B 50 11.792 7.034 4.218 1.00 0.95 H new ATOM 0 HB2 ARG B 50 9.993 5.520 6.223 1.00 1.20 H new ATOM 0 HB3 ARG B 50 11.091 6.804 6.688 1.00 1.20 H new ATOM 0 HG2 ARG B 50 9.842 8.411 5.222 1.00 1.44 H new ATOM 0 HG3 ARG B 50 8.750 7.129 4.740 1.00 1.44 H new ATOM 0 HD2 ARG B 50 9.183 8.055 7.644 1.00 1.54 H new ATOM 0 HD3 ARG B 50 7.814 8.516 6.651 1.00 1.54 H new ATOM 0 HE ARG B 50 8.275 5.560 7.106 1.00 1.70 H new ATOM 0 HH11 ARG B 50 6.064 8.016 6.461 1.00 2.21 H new ATOM 0 HH12 ARG B 50 4.828 7.498 7.612 1.00 2.21 H new ATOM 0 HH21 ARG B 50 6.958 5.087 9.111 1.00 2.29 H new ATOM 0 HH22 ARG B 50 5.344 5.806 9.142 1.00 2.29 H new ATOM 1798 N SER B 51 12.067 4.179 5.761 1.00 1.40 N ATOM 1799 CA SER B 51 13.084 3.250 6.276 1.00 1.77 C ATOM 1800 C SER B 51 13.944 2.734 5.128 1.00 1.70 C ATOM 1801 O SER B 51 15.127 2.517 5.291 1.00 1.91 O ATOM 1802 CB SER B 51 12.308 2.175 6.984 1.00 2.04 C ATOM 1803 OG SER B 51 11.395 2.981 7.720 1.00 2.11 O ATOM 0 H SER B 51 11.098 3.930 5.959 1.00 1.40 H new ATOM 0 HA SER B 51 13.788 3.712 6.968 1.00 1.77 H new ATOM 0 HB2 SER B 51 11.805 1.499 6.293 1.00 2.04 H new ATOM 0 HB3 SER B 51 12.937 1.561 7.629 1.00 2.04 H new ATOM 0 HG SER B 51 10.848 2.410 8.300 1.00 2.11 H new ATOM 1809 N CYS B 52 13.360 2.545 3.980 1.00 1.50 N ATOM 1810 CA CYS B 52 14.227 2.057 2.880 1.00 1.60 C ATOM 1811 C CYS B 52 15.172 3.169 2.458 1.00 1.30 C ATOM 1812 O CYS B 52 16.241 2.881 1.963 1.00 1.42 O ATOM 1813 CB CYS B 52 13.403 1.647 1.663 1.00 1.71 C ATOM 1814 SG CYS B 52 12.409 0.140 1.787 1.00 2.41 S ATOM 0 H CYS B 52 12.375 2.697 3.762 1.00 1.50 H new ATOM 0 HA CYS B 52 14.777 1.190 3.245 1.00 1.60 H new ATOM 0 HB2 CYS B 52 12.733 2.471 1.419 1.00 1.71 H new ATOM 0 HB3 CYS B 52 14.085 1.530 0.821 1.00 1.71 H new ATOM 0 HG CYS B 52 11.236 0.350 1.268 1.00 2.41 H new ATOM 1820 N LEU B 53 14.775 4.398 2.659 1.00 1.00 N ATOM 1821 CA LEU B 53 15.682 5.507 2.262 1.00 0.95 C ATOM 1822 C LEU B 53 16.911 5.275 3.105 1.00 1.09 C ATOM 1823 O LEU B 53 18.038 5.431 2.689 1.00 1.19 O ATOM 1824 CB LEU B 53 15.166 6.912 2.641 1.00 0.98 C ATOM 1825 CG LEU B 53 13.738 7.191 2.130 1.00 1.21 C ATOM 1826 CD1 LEU B 53 13.322 8.610 2.563 1.00 1.56 C ATOM 1827 CD2 LEU B 53 13.683 7.111 0.607 1.00 1.58 C ATOM 0 H LEU B 53 13.884 4.675 3.071 1.00 1.00 H new ATOM 0 HA LEU B 53 15.813 5.497 1.180 1.00 0.95 H new ATOM 0 HB2 LEU B 53 15.185 7.019 3.726 1.00 0.98 H new ATOM 0 HB3 LEU B 53 15.844 7.663 2.235 1.00 0.98 H new ATOM 0 HG LEU B 53 13.064 6.444 2.549 1.00 1.21 H new ATOM 0 HD11 LEU B 53 12.313 8.818 2.207 1.00 1.56 H new ATOM 0 HD12 LEU B 53 13.344 8.680 3.651 1.00 1.56 H new ATOM 0 HD13 LEU B 53 14.014 9.337 2.138 1.00 1.56 H new ATOM 0 HD21 LEU B 53 12.666 7.311 0.269 1.00 1.58 H new ATOM 0 HD22 LEU B 53 14.360 7.850 0.179 1.00 1.58 H new ATOM 0 HD23 LEU B 53 13.983 6.114 0.284 1.00 1.58 H new ATOM 1839 N ALA B 54 16.648 4.900 4.320 1.00 1.32 N ATOM 1840 CA ALA B 54 17.805 4.658 5.218 1.00 1.66 C ATOM 1841 C ALA B 54 18.555 3.388 4.850 1.00 1.77 C ATOM 1842 O ALA B 54 19.759 3.325 4.992 1.00 2.00 O ATOM 1843 CB ALA B 54 17.339 4.524 6.651 1.00 1.85 C ATOM 0 H ALA B 54 15.721 4.755 4.720 1.00 1.32 H new ATOM 0 HA ALA B 54 18.472 5.513 5.105 1.00 1.66 H new ATOM 0 HB1 ALA B 54 18.198 4.347 7.298 1.00 1.85 H new ATOM 0 HB2 ALA B 54 16.837 5.442 6.958 1.00 1.85 H new ATOM 0 HB3 ALA B 54 16.646 3.687 6.731 1.00 1.85 H new ATOM 1849 N ARG B 55 17.848 2.397 4.390 1.00 1.75 N ATOM 1850 CA ARG B 55 18.557 1.134 4.044 1.00 1.93 C ATOM 1851 C ARG B 55 19.288 1.238 2.716 1.00 1.58 C ATOM 1852 O ARG B 55 20.173 0.447 2.463 1.00 1.71 O ATOM 1853 CB ARG B 55 17.553 -0.032 3.958 1.00 2.36 C ATOM 1854 CG ARG B 55 16.957 -0.318 5.353 1.00 2.73 C ATOM 1855 CD ARG B 55 18.006 -1.042 6.243 1.00 3.04 C ATOM 1856 NE ARG B 55 18.266 -2.406 5.689 1.00 2.92 N ATOM 1857 CZ ARG B 55 18.275 -3.471 6.469 1.00 3.13 C ATOM 1858 NH1 ARG B 55 17.594 -3.469 7.599 1.00 3.65 N ATOM 1859 NH2 ARG B 55 18.970 -4.514 6.078 1.00 3.41 N ATOM 0 H ARG B 55 16.839 2.402 4.241 1.00 1.75 H new ATOM 0 HA ARG B 55 19.288 0.953 4.832 1.00 1.93 H new ATOM 0 HB2 ARG B 55 16.756 0.214 3.256 1.00 2.36 H new ATOM 0 HB3 ARG B 55 18.050 -0.924 3.576 1.00 2.36 H new ATOM 0 HG2 ARG B 55 16.651 0.616 5.825 1.00 2.73 H new ATOM 0 HG3 ARG B 55 16.063 -0.934 5.256 1.00 2.73 H new ATOM 0 HD2 ARG B 55 18.932 -0.467 6.275 1.00 3.04 H new ATOM 0 HD3 ARG B 55 17.641 -1.116 7.268 1.00 3.04 H new ATOM 0 HE ARG B 55 18.440 -2.516 4.690 1.00 2.92 H new ATOM 0 HH11 ARG B 55 17.060 -2.644 7.871 1.00 3.65 H new ATOM 0 HH12 ARG B 55 17.602 -4.293 8.201 1.00 3.65 H new ATOM 0 HH21 ARG B 55 19.481 -4.485 5.196 1.00 3.41 H new ATOM 0 HH22 ARG B 55 18.999 -5.354 6.656 1.00 3.41 H new ATOM 1873 N PHE B 56 18.922 2.182 1.899 1.00 1.42 N ATOM 1874 CA PHE B 56 19.614 2.287 0.582 1.00 1.63 C ATOM 1875 C PHE B 56 20.569 3.469 0.620 1.00 2.45 C ATOM 1876 O PHE B 56 21.729 3.344 0.281 1.00 3.11 O ATOM 1877 CB PHE B 56 18.569 2.483 -0.515 1.00 1.48 C ATOM 1878 CG PHE B 56 17.545 1.337 -0.535 1.00 1.19 C ATOM 1879 CD1 PHE B 56 17.810 0.086 0.002 1.00 1.63 C ATOM 1880 CD2 PHE B 56 16.311 1.563 -1.119 1.00 1.30 C ATOM 1881 CE1 PHE B 56 16.858 -0.909 -0.043 1.00 1.51 C ATOM 1882 CE2 PHE B 56 15.358 0.566 -1.165 1.00 1.24 C ATOM 1883 CZ PHE B 56 15.631 -0.674 -0.627 1.00 0.99 C ATOM 0 H PHE B 56 18.192 2.872 2.076 1.00 1.42 H new ATOM 0 HA PHE B 56 20.179 1.378 0.375 1.00 1.63 H new ATOM 0 HB2 PHE B 56 18.052 3.430 -0.360 1.00 1.48 H new ATOM 0 HB3 PHE B 56 19.065 2.545 -1.484 1.00 1.48 H new ATOM 0 HD1 PHE B 56 18.769 -0.110 0.459 1.00 1.63 H new ATOM 0 HD2 PHE B 56 16.091 2.531 -1.544 1.00 1.30 H new ATOM 0 HE1 PHE B 56 17.074 -1.878 0.381 1.00 1.51 H new ATOM 0 HE2 PHE B 56 14.398 0.757 -1.622 1.00 1.24 H new ATOM 0 HZ PHE B 56 14.888 -1.457 -0.663 1.00 0.99 H new