USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 GLN : amide:sc= -0.0686 X(o=-0.069,f=-0.0023) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 14:sc= 0.26! USER MOD Single : A 25 HIS :FLIP no HE2:sc= -1.5 F(o=-3.3!,f=-1.5) USER MOD Single : A 28 HIS : no HD1:sc= -5.43! C(o=-5.4!,f=-7.8!) USER MOD Single : A 37 LYS NZ :NH3+ 136:sc= -0.114 (180deg=-0.459) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0629 K(o=-0.063,f=-1.7!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0698 K(o=-0.07,f=-0.67) USER MOD Single : A 62 CYS SG : rot -139:sc= -1.19 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 78 HIS : no HE2:sc= -1.59 K(o=-1.6,f=-2.5!) USER MOD Single : A 81 ASN : amide:sc=-0.00529 X(o=-0.0053,f=-0.23) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -15.022 -6.684 5.010 1.00 0.00 N ATOM 126 CA GLY A 11 -15.065 -8.051 4.526 1.00 0.00 C ATOM 127 C GLY A 11 -14.586 -9.048 5.563 1.00 0.00 C ATOM 128 O GLY A 11 -14.485 -8.723 6.745 1.00 0.00 O ATOM 0 HA2 GLY A 11 -16.086 -8.298 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.448 -8.136 3.632 1.00 0.00 H new ATOM 132 N GLU A 12 -14.292 -10.266 5.118 1.00 0.00 N ATOM 133 CA GLU A 12 -13.824 -11.314 6.018 1.00 0.00 C ATOM 134 C GLU A 12 -12.336 -11.581 5.815 1.00 0.00 C ATOM 135 O GLU A 12 -11.836 -11.552 4.689 1.00 0.00 O ATOM 136 CB GLU A 12 -14.620 -12.602 5.794 1.00 0.00 C ATOM 137 CG GLU A 12 -16.007 -12.576 6.414 1.00 0.00 C ATOM 138 CD GLU A 12 -15.986 -12.862 7.903 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.542 -13.962 8.290 1.00 0.00 O ATOM 140 OE2 GLU A 12 -16.414 -11.983 8.680 1.00 0.00 O ATOM 0 H GLU A 12 -14.369 -10.551 4.142 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.978 -10.974 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.713 -12.780 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.061 -13.441 6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.460 -11.599 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.638 -13.312 5.915 1.00 0.00 H new ATOM 147 N LEU A 13 -11.632 -11.840 6.911 1.00 0.00 N ATOM 148 CA LEU A 13 -10.200 -12.112 6.855 1.00 0.00 C ATOM 149 C LEU A 13 -9.885 -13.151 5.784 1.00 0.00 C ATOM 150 O LEU A 13 -9.239 -12.846 4.782 1.00 0.00 O ATOM 151 CB LEU A 13 -9.699 -12.598 8.216 1.00 0.00 C ATOM 152 CG LEU A 13 -9.438 -11.513 9.262 1.00 0.00 C ATOM 153 CD1 LEU A 13 -10.744 -11.056 9.894 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.476 -12.019 10.326 1.00 0.00 C ATOM 0 H LEU A 13 -12.030 -11.867 7.850 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.689 -11.184 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.430 -13.297 8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.775 -13.156 8.063 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.980 -10.658 8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.539 -10.284 10.636 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.400 -10.653 9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.230 -11.903 10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.302 -11.234 11.062 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.905 -12.891 10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.530 -12.296 9.860 1.00 0.00 H new ATOM 166 N GLU A 14 -10.346 -14.378 6.003 1.00 0.00 N ATOM 167 CA GLU A 14 -10.114 -15.462 5.055 1.00 0.00 C ATOM 168 C GLU A 14 -10.323 -14.984 3.621 1.00 0.00 C ATOM 169 O GLU A 14 -9.512 -15.265 2.739 1.00 0.00 O ATOM 170 CB GLU A 14 -11.045 -16.639 5.353 1.00 0.00 C ATOM 171 CG GLU A 14 -10.551 -17.538 6.474 1.00 0.00 C ATOM 172 CD GLU A 14 -11.404 -18.779 6.645 1.00 0.00 C ATOM 173 OE1 GLU A 14 -12.640 -18.674 6.503 1.00 0.00 O ATOM 174 OE2 GLU A 14 -10.835 -19.856 6.923 1.00 0.00 O ATOM 0 H GLU A 14 -10.882 -14.647 6.828 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.080 -15.790 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.031 -16.254 5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.165 -17.234 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.522 -17.834 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.542 -16.976 7.408 1.00 0.00 H new ATOM 181 N GLN A 15 -11.416 -14.262 3.397 1.00 0.00 N ATOM 182 CA GLN A 15 -11.732 -13.746 2.071 1.00 0.00 C ATOM 183 C GLN A 15 -10.596 -12.880 1.538 1.00 0.00 C ATOM 184 O GLN A 15 -10.294 -12.899 0.345 1.00 0.00 O ATOM 185 CB GLN A 15 -13.031 -12.938 2.110 1.00 0.00 C ATOM 186 CG GLN A 15 -14.283 -13.800 2.131 1.00 0.00 C ATOM 187 CD GLN A 15 -14.629 -14.359 0.765 1.00 0.00 C ATOM 188 OE1 GLN A 15 -14.679 -15.575 0.574 1.00 0.00 O ATOM 189 NE2 GLN A 15 -14.870 -13.473 -0.194 1.00 0.00 N ATOM 0 H GLN A 15 -12.097 -14.021 4.117 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.861 -14.596 1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.025 -12.299 2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.067 -12.281 1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.141 -14.623 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.121 -13.208 2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.817 -12.475 0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.108 -13.791 -1.134 1.00 0.00 H new ATOM 198 N MET A 16 -9.970 -12.119 2.431 1.00 0.00 N ATOM 199 CA MET A 16 -8.866 -11.246 2.050 1.00 0.00 C ATOM 200 C MET A 16 -7.803 -12.019 1.276 1.00 0.00 C ATOM 201 O MET A 16 -7.622 -13.219 1.481 1.00 0.00 O ATOM 202 CB MET A 16 -8.244 -10.604 3.291 1.00 0.00 C ATOM 203 CG MET A 16 -9.238 -9.818 4.131 1.00 0.00 C ATOM 204 SD MET A 16 -8.432 -8.692 5.288 1.00 0.00 S ATOM 205 CE MET A 16 -9.804 -7.634 5.742 1.00 0.00 C ATOM 0 H MET A 16 -10.209 -12.090 3.422 1.00 0.00 H new ATOM 0 HA MET A 16 -9.262 -10.462 1.404 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.796 -11.383 3.907 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.437 -9.940 2.981 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.894 -9.248 3.473 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.869 -10.513 4.686 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.464 -6.883 6.455 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.192 -7.140 4.852 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.592 -8.235 6.196 1.00 0.00 H new ATOM 215 N VAL A 17 -7.103 -11.324 0.386 1.00 0.00 N ATOM 216 CA VAL A 17 -6.057 -11.945 -0.418 1.00 0.00 C ATOM 217 C VAL A 17 -4.763 -11.142 -0.351 1.00 0.00 C ATOM 218 O VAL A 17 -4.785 -9.913 -0.290 1.00 0.00 O ATOM 219 CB VAL A 17 -6.488 -12.082 -1.890 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.674 -13.027 -2.014 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.818 -10.719 -2.478 1.00 0.00 C ATOM 0 H VAL A 17 -7.241 -10.330 0.203 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.886 -12.938 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.657 -12.504 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.964 -13.111 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.397 -14.010 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.512 -12.637 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.121 -10.835 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.632 -10.266 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.938 -10.077 -2.425 1.00 0.00 H new ATOM 231 N SER A 18 -3.635 -11.846 -0.364 1.00 0.00 N ATOM 232 CA SER A 18 -2.330 -11.199 -0.302 1.00 0.00 C ATOM 233 C SER A 18 -1.748 -11.013 -1.700 1.00 0.00 C ATOM 234 O SER A 18 -1.673 -11.959 -2.483 1.00 0.00 O ATOM 235 CB SER A 18 -1.369 -12.024 0.557 1.00 0.00 C ATOM 236 OG SER A 18 -0.893 -13.154 -0.153 1.00 0.00 O ATOM 0 H SER A 18 -3.599 -12.864 -0.417 1.00 0.00 H new ATOM 0 HA SER A 18 -2.460 -10.217 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.528 -11.403 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.876 -12.348 1.466 1.00 0.00 H new ATOM 0 HG SER A 18 -1.100 -13.053 -1.105 1.00 0.00 H new ATOM 242 N GLU A 19 -1.339 -9.786 -2.005 1.00 0.00 N ATOM 243 CA GLU A 19 -0.765 -9.475 -3.309 1.00 0.00 C ATOM 244 C GLU A 19 0.611 -8.833 -3.159 1.00 0.00 C ATOM 245 O GLU A 19 0.958 -8.324 -2.092 1.00 0.00 O ATOM 246 CB GLU A 19 -1.693 -8.541 -4.089 1.00 0.00 C ATOM 247 CG GLU A 19 -2.742 -9.272 -4.910 1.00 0.00 C ATOM 248 CD GLU A 19 -2.173 -10.462 -5.658 1.00 0.00 C ATOM 249 OE1 GLU A 19 -1.522 -10.250 -6.702 1.00 0.00 O ATOM 250 OE2 GLU A 19 -2.378 -11.606 -5.199 1.00 0.00 O ATOM 0 H GLU A 19 -1.394 -8.992 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.653 -10.409 -3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.193 -7.872 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.093 -7.918 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.542 -9.610 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.188 -8.579 -5.623 1.00 0.00 H new ATOM 257 N ASP A 20 1.391 -8.862 -4.233 1.00 0.00 N ATOM 258 CA ASP A 20 2.730 -8.283 -4.223 1.00 0.00 C ATOM 259 C ASP A 20 2.811 -7.084 -5.163 1.00 0.00 C ATOM 260 O ASP A 20 2.687 -7.227 -6.379 1.00 0.00 O ATOM 261 CB ASP A 20 3.766 -9.333 -4.624 1.00 0.00 C ATOM 262 CG ASP A 20 3.265 -10.251 -5.722 1.00 0.00 C ATOM 263 OD1 ASP A 20 3.336 -9.855 -6.905 1.00 0.00 O ATOM 264 OD2 ASP A 20 2.803 -11.365 -5.399 1.00 0.00 O ATOM 0 H ASP A 20 1.120 -9.280 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 20 2.944 -7.942 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.675 -8.833 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.033 -9.928 -3.751 1.00 0.00 H new ATOM 269 N VAL A 21 3.019 -5.903 -4.591 1.00 0.00 N ATOM 270 CA VAL A 21 3.117 -4.679 -5.377 1.00 0.00 C ATOM 271 C VAL A 21 4.541 -4.134 -5.372 1.00 0.00 C ATOM 272 O VAL A 21 5.113 -3.833 -4.324 1.00 0.00 O ATOM 273 CB VAL A 21 2.162 -3.593 -4.847 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.861 -2.570 -5.932 1.00 0.00 C ATOM 275 CG2 VAL A 21 0.879 -4.221 -4.324 1.00 0.00 C ATOM 0 H VAL A 21 3.123 -5.768 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 21 2.833 -4.936 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 21 2.650 -3.077 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.185 -1.811 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.789 -2.098 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.393 -3.068 -6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.216 -3.439 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.385 -4.764 -5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.115 -4.910 -3.513 1.00 0.00 H new ATOM 285 N PRO A 22 5.129 -4.004 -6.571 1.00 0.00 N ATOM 286 CA PRO A 22 6.494 -3.494 -6.732 1.00 0.00 C ATOM 287 C PRO A 22 6.599 -2.007 -6.409 1.00 0.00 C ATOM 288 O PRO A 22 6.191 -1.159 -7.203 1.00 0.00 O ATOM 289 CB PRO A 22 6.793 -3.742 -8.212 1.00 0.00 C ATOM 290 CG PRO A 22 5.457 -3.761 -8.871 1.00 0.00 C ATOM 291 CD PRO A 22 4.506 -4.343 -7.861 1.00 0.00 C ATOM 0 HA PRO A 22 7.194 -3.982 -6.054 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.427 -2.957 -8.625 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.319 -4.686 -8.357 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.151 -2.756 -9.162 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.478 -4.363 -9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.509 -3.911 -7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.399 -5.421 -7.985 1.00 0.00 H new ATOM 299 N LEU A 23 7.148 -1.698 -5.239 1.00 0.00 N ATOM 300 CA LEU A 23 7.308 -0.313 -4.811 1.00 0.00 C ATOM 301 C LEU A 23 8.781 0.030 -4.614 1.00 0.00 C ATOM 302 O LEU A 23 9.482 -0.622 -3.840 1.00 0.00 O ATOM 303 CB LEU A 23 6.537 -0.067 -3.513 1.00 0.00 C ATOM 304 CG LEU A 23 6.449 1.387 -3.049 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.516 2.180 -3.952 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.983 1.458 -1.603 1.00 0.00 C ATOM 0 H LEU A 23 7.490 -2.388 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 23 6.906 0.331 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.524 -0.449 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.003 -0.653 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 23 7.443 1.829 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.466 3.213 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.893 2.157 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.520 1.739 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.926 2.500 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.998 0.999 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.690 0.926 -0.966 1.00 0.00 H new ATOM 318 N ASP A 24 9.243 1.058 -5.317 1.00 0.00 N ATOM 319 CA ASP A 24 10.633 1.490 -5.216 1.00 0.00 C ATOM 320 C ASP A 24 10.974 1.893 -3.785 1.00 0.00 C ATOM 321 O ASP A 24 10.285 2.713 -3.178 1.00 0.00 O ATOM 322 CB ASP A 24 10.895 2.660 -6.165 1.00 0.00 C ATOM 323 CG ASP A 24 12.374 2.885 -6.412 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.171 1.971 -6.114 1.00 0.00 O ATOM 325 OD2 ASP A 24 12.734 3.975 -6.904 1.00 0.00 O ATOM 0 H ASP A 24 8.676 1.608 -5.963 1.00 0.00 H new ATOM 0 HA ASP A 24 11.270 0.652 -5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.395 2.472 -7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.457 3.567 -5.748 1.00 0.00 H new ATOM 330 N HIS A 25 12.043 1.310 -3.250 1.00 0.00 N ATOM 331 CA HIS A 25 12.476 1.608 -1.890 1.00 0.00 C ATOM 332 C HIS A 25 12.791 3.092 -1.733 1.00 0.00 C ATOM 333 O HIS A 25 12.733 3.636 -0.629 1.00 0.00 O ATOM 334 CB HIS A 25 13.705 0.773 -1.529 1.00 0.00 C ATOM 335 CG HIS A 25 14.467 1.305 -0.355 1.00 0.00 C ATOM 336 ND1 HIS A 25 14.042 1.941 0.762 1.00 0.00 N flip ATOM 337 CD2 HIS A 25 15.838 1.212 -0.243 1.00 0.00 C flip ATOM 338 CE1 HIS A 25 15.153 2.217 1.521 1.00 0.00 C flip ATOM 339 NE2 HIS A 25 16.224 1.767 0.893 1.00 0.00 N flip ATOM 0 H HIS A 25 12.625 0.629 -3.738 1.00 0.00 H new ATOM 0 HA HIS A 25 11.661 1.354 -1.212 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.390 -0.248 -1.315 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.369 0.727 -2.392 1.00 0.00 H new ATOM 0 HD1 HIS A 25 13.077 2.172 0.996 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.494 0.757 -0.970 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.151 2.720 2.476 1.00 0.00 H new ATOM 347 N ARG A 26 13.125 3.742 -2.843 1.00 0.00 N ATOM 348 CA ARG A 26 13.451 5.163 -2.828 1.00 0.00 C ATOM 349 C ARG A 26 12.251 5.992 -2.379 1.00 0.00 C ATOM 350 O ARG A 26 12.395 7.149 -1.985 1.00 0.00 O ATOM 351 CB ARG A 26 13.909 5.618 -4.215 1.00 0.00 C ATOM 352 CG ARG A 26 15.278 5.089 -4.609 1.00 0.00 C ATOM 353 CD ARG A 26 16.393 5.953 -4.042 1.00 0.00 C ATOM 354 NE ARG A 26 16.799 5.517 -2.708 1.00 0.00 N ATOM 355 CZ ARG A 26 17.663 4.532 -2.488 1.00 0.00 C ATOM 356 NH1 ARG A 26 18.209 3.884 -3.508 1.00 0.00 N ATOM 357 NH2 ARG A 26 17.982 4.194 -1.245 1.00 0.00 N ATOM 0 H ARG A 26 13.177 3.307 -3.764 1.00 0.00 H new ATOM 0 HA ARG A 26 14.263 5.316 -2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.177 5.293 -4.954 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.928 6.707 -4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.391 4.066 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.358 5.057 -5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 26 17.253 5.921 -4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.061 6.990 -3.999 1.00 0.00 H new ATOM 0 HE ARG A 26 16.397 5.995 -1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.966 4.141 -4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.872 3.128 -3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.564 4.690 -0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.645 3.438 -1.076 1.00 0.00 H new ATOM 371 N VAL A 27 11.067 5.391 -2.442 1.00 0.00 N ATOM 372 CA VAL A 27 9.842 6.072 -2.041 1.00 0.00 C ATOM 373 C VAL A 27 9.189 5.376 -0.852 1.00 0.00 C ATOM 374 O VAL A 27 8.320 5.942 -0.188 1.00 0.00 O ATOM 375 CB VAL A 27 8.831 6.137 -3.202 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.462 6.786 -4.424 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.312 4.747 -3.534 1.00 0.00 C ATOM 0 H VAL A 27 10.930 4.434 -2.767 1.00 0.00 H new ATOM 0 HA VAL A 27 10.123 7.086 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 27 7.986 6.751 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.733 6.823 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.780 7.799 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.326 6.202 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.599 4.812 -4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.145 4.108 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.819 4.324 -2.659 1.00 0.00 H new ATOM 387 N HIS A 28 9.615 4.145 -0.587 1.00 0.00 N ATOM 388 CA HIS A 28 9.073 3.372 0.524 1.00 0.00 C ATOM 389 C HIS A 28 8.857 4.256 1.748 1.00 0.00 C ATOM 390 O HIS A 28 7.721 4.552 2.120 1.00 0.00 O ATOM 391 CB HIS A 28 10.011 2.216 0.875 1.00 0.00 C ATOM 392 CG HIS A 28 9.716 0.956 0.121 1.00 0.00 C ATOM 393 ND1 HIS A 28 9.925 -0.302 0.647 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.225 0.764 -1.125 1.00 0.00 C ATOM 395 CE1 HIS A 28 9.576 -1.212 -0.244 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.147 -0.592 -1.328 1.00 0.00 N ATOM 0 H HIS A 28 10.333 3.662 -1.126 1.00 0.00 H new ATOM 0 HA HIS A 28 8.109 2.967 0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.039 2.518 0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.942 2.015 1.944 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.946 1.534 -1.829 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.632 -2.282 -0.109 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.812 -1.046 -2.178 1.00 0.00 H new ATOM 404 N ALA A 29 9.954 4.675 2.370 1.00 0.00 N ATOM 405 CA ALA A 29 9.884 5.527 3.551 1.00 0.00 C ATOM 406 C ALA A 29 9.051 6.775 3.279 1.00 0.00 C ATOM 407 O ALA A 29 8.153 7.114 4.050 1.00 0.00 O ATOM 408 CB ALA A 29 11.284 5.913 4.007 1.00 0.00 C ATOM 0 H ALA A 29 10.902 4.438 2.076 1.00 0.00 H new ATOM 0 HA ALA A 29 9.397 4.964 4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.217 6.549 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.848 5.013 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.791 6.454 3.208 1.00 0.00 H new ATOM 414 N ARG A 30 9.356 7.456 2.179 1.00 0.00 N ATOM 415 CA ARG A 30 8.636 8.668 1.808 1.00 0.00 C ATOM 416 C ARG A 30 7.129 8.467 1.935 1.00 0.00 C ATOM 417 O ARG A 30 6.395 9.396 2.272 1.00 0.00 O ATOM 418 CB ARG A 30 8.987 9.076 0.376 1.00 0.00 C ATOM 419 CG ARG A 30 10.451 9.441 0.188 1.00 0.00 C ATOM 420 CD ARG A 30 10.720 9.960 -1.216 1.00 0.00 C ATOM 421 NE ARG A 30 10.381 11.374 -1.351 1.00 0.00 N ATOM 422 CZ ARG A 30 11.193 12.362 -0.992 1.00 0.00 C ATOM 423 NH1 ARG A 30 12.386 12.091 -0.480 1.00 0.00 N ATOM 424 NH2 ARG A 30 10.814 13.624 -1.147 1.00 0.00 N ATOM 0 H ARG A 30 10.096 7.189 1.530 1.00 0.00 H new ATOM 0 HA ARG A 30 8.938 9.463 2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.736 8.257 -0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.369 9.927 0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.735 10.199 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.073 8.566 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.772 9.814 -1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.142 9.378 -1.934 1.00 0.00 H new ATOM 0 HE ARG A 30 9.471 11.616 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.682 11.122 -0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.008 12.851 -0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.898 13.837 -1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.439 14.382 -0.871 1.00 0.00 H new ATOM 438 N ILE A 31 6.675 7.248 1.665 1.00 0.00 N ATOM 439 CA ILE A 31 5.257 6.924 1.750 1.00 0.00 C ATOM 440 C ILE A 31 4.874 6.497 3.163 1.00 0.00 C ATOM 441 O ILE A 31 3.869 6.952 3.709 1.00 0.00 O ATOM 442 CB ILE A 31 4.874 5.804 0.765 1.00 0.00 C ATOM 443 CG1 ILE A 31 5.186 6.228 -0.671 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.401 5.450 0.911 1.00 0.00 C ATOM 445 CD1 ILE A 31 5.152 5.085 -1.660 1.00 0.00 C ATOM 0 H ILE A 31 7.270 6.468 1.385 1.00 0.00 H new ATOM 0 HA ILE A 31 4.711 7.830 1.486 1.00 0.00 H new ATOM 0 HB ILE A 31 5.465 4.918 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.468 6.987 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.172 6.692 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.146 4.657 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.208 5.109 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.793 6.330 0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.383 5.460 -2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.890 4.335 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.159 4.635 -1.662 1.00 0.00 H new ATOM 457 N ILE A 32 5.684 5.622 3.750 1.00 0.00 N ATOM 458 CA ILE A 32 5.432 5.135 5.100 1.00 0.00 C ATOM 459 C ILE A 32 5.123 6.287 6.051 1.00 0.00 C ATOM 460 O ILE A 32 4.132 6.255 6.780 1.00 0.00 O ATOM 461 CB ILE A 32 6.634 4.342 5.646 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.945 3.154 4.734 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.355 3.869 7.065 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.398 2.734 4.764 1.00 0.00 C ATOM 0 H ILE A 32 6.520 5.236 3.311 1.00 0.00 H new ATOM 0 HA ILE A 32 4.568 4.474 5.041 1.00 0.00 H new ATOM 0 HB ILE A 32 7.505 4.997 5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.324 2.308 5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.670 3.410 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.213 3.310 7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.177 4.731 7.708 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.475 3.226 7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.546 1.887 4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.024 3.566 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.673 2.446 5.779 1.00 0.00 H new ATOM 476 N GLY A 33 5.978 7.305 6.036 1.00 0.00 N ATOM 477 CA GLY A 33 5.778 8.454 6.899 1.00 0.00 C ATOM 478 C GLY A 33 6.525 8.330 8.212 1.00 0.00 C ATOM 479 O GLY A 33 6.873 7.228 8.634 1.00 0.00 O ATOM 0 H GLY A 33 6.805 7.354 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.107 9.355 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.713 8.573 7.100 1.00 0.00 H new ATOM 483 N ALA A 34 6.775 9.464 8.859 1.00 0.00 N ATOM 484 CA ALA A 34 7.486 9.477 10.131 1.00 0.00 C ATOM 485 C ALA A 34 6.738 8.669 11.186 1.00 0.00 C ATOM 486 O ALA A 34 7.292 7.744 11.781 1.00 0.00 O ATOM 487 CB ALA A 34 7.691 10.908 10.607 1.00 0.00 C ATOM 0 H ALA A 34 6.495 10.385 8.523 1.00 0.00 H new ATOM 0 HA ALA A 34 8.461 9.013 9.979 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.223 10.902 11.558 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.274 11.457 9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.722 11.391 10.736 1.00 0.00 H new ATOM 493 N ARG A 35 5.478 9.025 11.414 1.00 0.00 N ATOM 494 CA ARG A 35 4.656 8.333 12.400 1.00 0.00 C ATOM 495 C ARG A 35 3.785 7.272 11.733 1.00 0.00 C ATOM 496 O ARG A 35 2.764 6.859 12.280 1.00 0.00 O ATOM 497 CB ARG A 35 3.774 9.333 13.151 1.00 0.00 C ATOM 498 CG ARG A 35 4.495 10.050 14.282 1.00 0.00 C ATOM 499 CD ARG A 35 3.792 11.345 14.656 1.00 0.00 C ATOM 500 NE ARG A 35 4.713 12.319 15.237 1.00 0.00 N ATOM 501 CZ ARG A 35 5.044 12.341 16.523 1.00 0.00 C ATOM 502 NH1 ARG A 35 4.532 11.448 17.358 1.00 0.00 N ATOM 503 NH2 ARG A 35 5.888 13.259 16.976 1.00 0.00 N ATOM 0 H ARG A 35 5.004 9.788 10.930 1.00 0.00 H new ATOM 0 HA ARG A 35 5.321 7.840 13.109 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.396 10.073 12.445 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.909 8.809 13.557 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.547 9.398 15.154 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.521 10.265 13.983 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.324 11.773 13.769 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.994 11.132 15.367 1.00 0.00 H new ATOM 0 HE ARG A 35 5.124 13.021 14.621 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.882 10.741 17.013 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.788 11.467 18.345 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.283 13.948 16.336 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.142 13.275 17.964 1.00 0.00 H new ATOM 517 N GLY A 36 4.197 6.836 10.546 1.00 0.00 N ATOM 518 CA GLY A 36 3.443 5.828 9.823 1.00 0.00 C ATOM 519 C GLY A 36 2.015 6.257 9.551 1.00 0.00 C ATOM 520 O GLY A 36 1.111 5.424 9.483 1.00 0.00 O ATOM 0 H GLY A 36 5.039 7.163 10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.941 5.615 8.877 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.438 4.901 10.397 1.00 0.00 H new ATOM 524 N LYS A 37 1.809 7.561 9.396 1.00 0.00 N ATOM 525 CA LYS A 37 0.481 8.100 9.130 1.00 0.00 C ATOM 526 C LYS A 37 0.194 8.125 7.632 1.00 0.00 C ATOM 527 O LYS A 37 -0.893 7.751 7.193 1.00 0.00 O ATOM 528 CB LYS A 37 0.356 9.512 9.707 1.00 0.00 C ATOM 529 CG LYS A 37 0.502 9.566 11.218 1.00 0.00 C ATOM 530 CD LYS A 37 -0.052 10.862 11.786 1.00 0.00 C ATOM 531 CE LYS A 37 -0.523 10.686 13.221 1.00 0.00 C ATOM 532 NZ LYS A 37 0.603 10.356 14.138 1.00 0.00 N ATOM 0 H LYS A 37 2.546 8.264 9.450 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.250 7.451 9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.115 10.149 9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.614 9.925 9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.019 8.720 11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.554 9.470 11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.715 11.635 11.746 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.882 11.205 11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.010 11.601 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.270 9.893 13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.517 10.917 15.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.573 9.344 14.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.506 10.576 13.672 1.00 0.00 H new ATOM 546 N ALA A 38 1.176 8.566 6.853 1.00 0.00 N ATOM 547 CA ALA A 38 1.030 8.635 5.405 1.00 0.00 C ATOM 548 C ALA A 38 0.511 7.317 4.841 1.00 0.00 C ATOM 549 O ALA A 38 -0.256 7.301 3.878 1.00 0.00 O ATOM 550 CB ALA A 38 2.356 9.003 4.757 1.00 0.00 C ATOM 0 H ALA A 38 2.082 8.881 7.201 1.00 0.00 H new ATOM 0 HA ALA A 38 0.299 9.410 5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.231 9.051 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.685 9.974 5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.103 8.248 5.003 1.00 0.00 H new ATOM 556 N ILE A 39 0.935 6.213 5.447 1.00 0.00 N ATOM 557 CA ILE A 39 0.513 4.889 5.005 1.00 0.00 C ATOM 558 C ILE A 39 -0.761 4.452 5.719 1.00 0.00 C ATOM 559 O ILE A 39 -1.504 3.605 5.223 1.00 0.00 O ATOM 560 CB ILE A 39 1.611 3.837 5.248 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.296 2.552 4.480 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.750 3.551 6.736 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.680 2.613 3.018 1.00 0.00 C ATOM 0 H ILE A 39 1.570 6.209 6.245 1.00 0.00 H new ATOM 0 HA ILE A 39 0.321 4.960 3.934 1.00 0.00 H new ATOM 0 HB ILE A 39 2.559 4.232 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.819 1.720 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.229 2.343 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.530 2.806 6.892 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.016 4.469 7.260 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.804 3.173 7.124 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.428 1.668 2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.137 3.424 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.752 2.791 2.930 1.00 0.00 H new ATOM 575 N ARG A 40 -1.009 5.037 6.887 1.00 0.00 N ATOM 576 CA ARG A 40 -2.195 4.708 7.669 1.00 0.00 C ATOM 577 C ARG A 40 -3.465 5.115 6.929 1.00 0.00 C ATOM 578 O ARG A 40 -4.457 4.385 6.927 1.00 0.00 O ATOM 579 CB ARG A 40 -2.141 5.402 9.032 1.00 0.00 C ATOM 580 CG ARG A 40 -3.051 4.771 10.073 1.00 0.00 C ATOM 581 CD ARG A 40 -2.503 3.438 10.557 1.00 0.00 C ATOM 582 NE ARG A 40 -3.209 2.953 11.740 1.00 0.00 N ATOM 583 CZ ARG A 40 -2.694 2.078 12.596 1.00 0.00 C ATOM 584 NH1 ARG A 40 -1.475 1.593 12.401 1.00 0.00 N ATOM 585 NH2 ARG A 40 -3.399 1.685 13.649 1.00 0.00 N ATOM 0 H ARG A 40 -0.405 5.740 7.312 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.213 3.628 7.818 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.115 5.383 9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.416 6.449 8.908 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.162 5.449 10.919 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.044 4.625 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.585 2.701 9.758 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.442 3.544 10.786 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.149 3.306 11.919 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.931 1.892 11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.082 0.921 13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.337 2.055 13.801 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.003 1.013 14.306 1.00 0.00 H new ATOM 599 N LYS A 41 -3.429 6.285 6.301 1.00 0.00 N ATOM 600 CA LYS A 41 -4.576 6.790 5.556 1.00 0.00 C ATOM 601 C LYS A 41 -4.877 5.903 4.352 1.00 0.00 C ATOM 602 O LYS A 41 -6.036 5.715 3.982 1.00 0.00 O ATOM 603 CB LYS A 41 -4.317 8.226 5.092 1.00 0.00 C ATOM 604 CG LYS A 41 -3.232 8.337 4.036 1.00 0.00 C ATOM 605 CD LYS A 41 -3.170 9.736 3.446 1.00 0.00 C ATOM 606 CE LYS A 41 -1.905 9.940 2.626 1.00 0.00 C ATOM 607 NZ LYS A 41 -2.074 9.479 1.220 1.00 0.00 N ATOM 0 H LYS A 41 -2.617 6.902 6.293 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.441 6.779 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.243 8.643 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.037 8.832 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.267 8.083 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.420 7.614 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.044 9.906 2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.207 10.472 4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.635 10.996 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.081 9.398 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.190 9.635 0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.307 8.465 1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.844 10.014 0.769 1.00 0.00 H new ATOM 621 N ILE A 42 -3.826 5.358 3.747 1.00 0.00 N ATOM 622 CA ILE A 42 -3.979 4.489 2.588 1.00 0.00 C ATOM 623 C ILE A 42 -4.618 3.160 2.977 1.00 0.00 C ATOM 624 O ILE A 42 -5.538 2.684 2.313 1.00 0.00 O ATOM 625 CB ILE A 42 -2.625 4.214 1.907 1.00 0.00 C ATOM 626 CG1 ILE A 42 -1.962 5.529 1.493 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.813 3.306 0.701 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.614 5.344 0.831 1.00 0.00 C ATOM 0 H ILE A 42 -2.860 5.503 4.041 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.630 5.011 1.887 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.973 3.708 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.624 6.061 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.842 6.159 2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.847 3.121 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.247 2.359 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.479 3.786 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.203 6.318 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.064 4.840 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.730 4.740 -0.069 1.00 0.00 H new ATOM 640 N MET A 43 -4.126 2.568 4.060 1.00 0.00 N ATOM 641 CA MET A 43 -4.651 1.295 4.541 1.00 0.00 C ATOM 642 C MET A 43 -6.136 1.409 4.869 1.00 0.00 C ATOM 643 O MET A 43 -6.941 0.578 4.446 1.00 0.00 O ATOM 644 CB MET A 43 -3.878 0.834 5.778 1.00 0.00 C ATOM 645 CG MET A 43 -2.535 0.199 5.453 1.00 0.00 C ATOM 646 SD MET A 43 -1.812 -0.657 6.866 1.00 0.00 S ATOM 647 CE MET A 43 -0.401 0.391 7.211 1.00 0.00 C ATOM 0 H MET A 43 -3.364 2.949 4.621 1.00 0.00 H new ATOM 0 HA MET A 43 -4.527 0.557 3.748 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.717 1.688 6.435 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.486 0.117 6.330 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.660 -0.506 4.631 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.846 0.971 5.109 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.149 -0.009 8.063 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.252 0.421 6.339 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.745 1.399 7.442 1.00 0.00 H new ATOM 657 N ASP A 44 -6.493 2.443 5.623 1.00 0.00 N ATOM 658 CA ASP A 44 -7.882 2.665 6.007 1.00 0.00 C ATOM 659 C ASP A 44 -8.736 3.001 4.788 1.00 0.00 C ATOM 660 O ASP A 44 -9.907 2.629 4.717 1.00 0.00 O ATOM 661 CB ASP A 44 -7.975 3.793 7.036 1.00 0.00 C ATOM 662 CG ASP A 44 -7.429 3.387 8.391 1.00 0.00 C ATOM 663 OD1 ASP A 44 -7.904 2.371 8.941 1.00 0.00 O ATOM 664 OD2 ASP A 44 -6.528 4.085 8.900 1.00 0.00 O ATOM 0 H ASP A 44 -5.840 3.140 5.980 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.261 1.745 6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.425 4.660 6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.016 4.098 7.143 1.00 0.00 H new ATOM 669 N GLU A 45 -8.141 3.707 3.831 1.00 0.00 N ATOM 670 CA GLU A 45 -8.848 4.094 2.616 1.00 0.00 C ATOM 671 C GLU A 45 -9.427 2.871 1.911 1.00 0.00 C ATOM 672 O GLU A 45 -10.633 2.788 1.677 1.00 0.00 O ATOM 673 CB GLU A 45 -7.909 4.845 1.670 1.00 0.00 C ATOM 674 CG GLU A 45 -8.594 5.362 0.416 1.00 0.00 C ATOM 675 CD GLU A 45 -7.678 6.216 -0.439 1.00 0.00 C ATOM 676 OE1 GLU A 45 -6.735 6.816 0.118 1.00 0.00 O ATOM 677 OE2 GLU A 45 -7.905 6.283 -1.665 1.00 0.00 O ATOM 0 H GLU A 45 -7.172 4.022 3.874 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.670 4.752 2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.465 5.685 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.092 4.183 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.951 4.517 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.470 5.946 0.699 1.00 0.00 H new ATOM 684 N PHE A 46 -8.558 1.923 1.574 1.00 0.00 N ATOM 685 CA PHE A 46 -8.982 0.705 0.894 1.00 0.00 C ATOM 686 C PHE A 46 -9.112 -0.452 1.880 1.00 0.00 C ATOM 687 O PHE A 46 -9.241 -1.610 1.484 1.00 0.00 O ATOM 688 CB PHE A 46 -7.986 0.339 -0.210 1.00 0.00 C ATOM 689 CG PHE A 46 -7.653 1.486 -1.121 1.00 0.00 C ATOM 690 CD1 PHE A 46 -8.436 1.755 -2.232 1.00 0.00 C ATOM 691 CD2 PHE A 46 -6.558 2.295 -0.866 1.00 0.00 C ATOM 692 CE1 PHE A 46 -8.131 2.809 -3.072 1.00 0.00 C ATOM 693 CE2 PHE A 46 -6.249 3.351 -1.702 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.037 3.609 -2.806 1.00 0.00 C ATOM 0 H PHE A 46 -7.557 1.975 1.761 1.00 0.00 H new ATOM 0 HA PHE A 46 -9.959 0.890 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.068 -0.030 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.397 -0.478 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.294 1.134 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.938 2.098 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.748 3.007 -3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.392 3.974 -1.492 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.798 4.435 -3.460 1.00 0.00 H new ATOM 704 N LYS A 47 -9.076 -0.129 3.169 1.00 0.00 N ATOM 705 CA LYS A 47 -9.191 -1.139 4.214 1.00 0.00 C ATOM 706 C LYS A 47 -8.261 -2.316 3.938 1.00 0.00 C ATOM 707 O LYS A 47 -8.670 -3.475 4.016 1.00 0.00 O ATOM 708 CB LYS A 47 -10.636 -1.631 4.321 1.00 0.00 C ATOM 709 CG LYS A 47 -11.640 -0.519 4.572 1.00 0.00 C ATOM 710 CD LYS A 47 -11.674 -0.118 6.037 1.00 0.00 C ATOM 711 CE LYS A 47 -12.598 1.067 6.269 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.184 1.869 7.454 1.00 0.00 N ATOM 0 H LYS A 47 -8.968 0.825 3.514 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.899 -0.682 5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.904 -2.150 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.704 -2.360 5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.384 0.348 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.632 -0.846 4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.007 -0.963 6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.667 0.134 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.603 1.703 5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.618 0.710 6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.839 2.667 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.204 1.269 8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.220 2.231 7.308 1.00 0.00 H new ATOM 726 N VAL A 48 -7.008 -2.012 3.616 1.00 0.00 N ATOM 727 CA VAL A 48 -6.020 -3.045 3.330 1.00 0.00 C ATOM 728 C VAL A 48 -4.838 -2.955 4.289 1.00 0.00 C ATOM 729 O VAL A 48 -4.667 -1.955 4.987 1.00 0.00 O ATOM 730 CB VAL A 48 -5.502 -2.943 1.883 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.634 -3.174 0.893 1.00 0.00 C ATOM 732 CG2 VAL A 48 -4.844 -1.591 1.647 1.00 0.00 C ATOM 0 H VAL A 48 -6.653 -1.058 3.547 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.519 -4.005 3.462 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.752 -3.719 1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.249 -3.098 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.056 -4.167 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.409 -2.423 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.484 -1.536 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.571 -0.797 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.005 -1.470 2.333 1.00 0.00 H new ATOM 742 N ASP A 49 -4.024 -4.004 4.317 1.00 0.00 N ATOM 743 CA ASP A 49 -2.856 -4.043 5.189 1.00 0.00 C ATOM 744 C ASP A 49 -1.569 -4.085 4.371 1.00 0.00 C ATOM 745 O ASP A 49 -1.165 -5.141 3.884 1.00 0.00 O ATOM 746 CB ASP A 49 -2.925 -5.258 6.116 1.00 0.00 C ATOM 747 CG ASP A 49 -4.168 -5.254 6.984 1.00 0.00 C ATOM 748 OD1 ASP A 49 -5.246 -5.631 6.478 1.00 0.00 O ATOM 749 OD2 ASP A 49 -4.062 -4.874 8.168 1.00 0.00 O ATOM 0 H ASP A 49 -4.151 -4.839 3.746 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.853 -3.135 5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.906 -6.169 5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.041 -5.276 6.753 1.00 0.00 H new ATOM 754 N ILE A 50 -0.930 -2.929 4.224 1.00 0.00 N ATOM 755 CA ILE A 50 0.311 -2.834 3.466 1.00 0.00 C ATOM 756 C ILE A 50 1.510 -3.229 4.321 1.00 0.00 C ATOM 757 O ILE A 50 1.887 -2.512 5.249 1.00 0.00 O ATOM 758 CB ILE A 50 0.530 -1.410 2.921 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.724 -0.920 2.194 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.735 -1.378 1.992 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.743 0.575 1.963 1.00 0.00 C ATOM 0 H ILE A 50 -1.251 -2.046 4.620 1.00 0.00 H new ATOM 0 HA ILE A 50 0.222 -3.526 2.628 1.00 0.00 H new ATOM 0 HB ILE A 50 0.725 -0.742 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.799 -1.429 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.603 -1.201 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.877 -0.365 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.625 -1.689 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.568 -2.056 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.660 0.851 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.699 1.092 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.117 0.861 1.357 1.00 0.00 H new ATOM 773 N ARG A 51 2.107 -4.372 4.002 1.00 0.00 N ATOM 774 CA ARG A 51 3.264 -4.863 4.741 1.00 0.00 C ATOM 775 C ARG A 51 4.549 -4.643 3.947 1.00 0.00 C ATOM 776 O ARG A 51 4.813 -5.339 2.967 1.00 0.00 O ATOM 777 CB ARG A 51 3.099 -6.349 5.062 1.00 0.00 C ATOM 778 CG ARG A 51 3.939 -6.815 6.239 1.00 0.00 C ATOM 779 CD ARG A 51 3.316 -6.408 7.565 1.00 0.00 C ATOM 780 NE ARG A 51 4.124 -6.834 8.704 1.00 0.00 N ATOM 781 CZ ARG A 51 4.028 -6.298 9.915 1.00 0.00 C ATOM 782 NH1 ARG A 51 3.161 -5.321 10.144 1.00 0.00 N ATOM 783 NH2 ARG A 51 4.798 -6.740 10.901 1.00 0.00 N ATOM 0 H ARG A 51 1.809 -4.976 3.236 1.00 0.00 H new ATOM 0 HA ARG A 51 3.332 -4.303 5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.049 -6.552 5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.366 -6.934 4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.046 -7.899 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.941 -6.393 6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.195 -5.325 7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.319 -6.842 7.645 1.00 0.00 H new ATOM 0 HE ARG A 51 4.800 -7.585 8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.566 -4.980 9.389 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.089 -4.911 11.075 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.465 -7.492 10.729 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.723 -6.327 11.831 1.00 0.00 H new ATOM 797 N PHE A 52 5.344 -3.669 4.377 1.00 0.00 N ATOM 798 CA PHE A 52 6.601 -3.356 3.707 1.00 0.00 C ATOM 799 C PHE A 52 7.667 -4.397 4.035 1.00 0.00 C ATOM 800 O PHE A 52 7.632 -5.051 5.078 1.00 0.00 O ATOM 801 CB PHE A 52 7.088 -1.964 4.115 1.00 0.00 C ATOM 802 CG PHE A 52 6.285 -0.847 3.512 1.00 0.00 C ATOM 803 CD1 PHE A 52 5.103 -0.429 4.102 1.00 0.00 C ATOM 804 CD2 PHE A 52 6.712 -0.214 2.356 1.00 0.00 C ATOM 805 CE1 PHE A 52 4.362 0.598 3.549 1.00 0.00 C ATOM 806 CE2 PHE A 52 5.975 0.814 1.798 1.00 0.00 C ATOM 807 CZ PHE A 52 4.799 1.221 2.396 1.00 0.00 C ATOM 0 H PHE A 52 5.140 -3.083 5.186 1.00 0.00 H new ATOM 0 HA PHE A 52 6.424 -3.371 2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.054 -1.880 5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.131 -1.852 3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.757 -0.911 5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.632 -0.527 1.885 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.442 0.913 4.018 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.319 1.298 0.896 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.222 2.025 1.963 1.00 0.00 H new ATOM 817 N PRO A 53 8.639 -4.555 3.125 1.00 0.00 N ATOM 818 CA PRO A 53 9.734 -5.515 3.294 1.00 0.00 C ATOM 819 C PRO A 53 10.701 -5.102 4.398 1.00 0.00 C ATOM 820 O PRO A 53 11.269 -4.010 4.361 1.00 0.00 O ATOM 821 CB PRO A 53 10.436 -5.497 1.934 1.00 0.00 C ATOM 822 CG PRO A 53 10.120 -4.157 1.363 1.00 0.00 C ATOM 823 CD PRO A 53 8.744 -3.809 1.859 1.00 0.00 C ATOM 0 HA PRO A 53 9.371 -6.500 3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.511 -5.638 2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.072 -6.298 1.290 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.850 -3.414 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.148 -4.181 0.274 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.632 -2.736 2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.973 -4.110 1.150 1.00 0.00 H new ATOM 831 N GLN A 54 10.884 -5.981 5.378 1.00 0.00 N ATOM 832 CA GLN A 54 11.783 -5.706 6.493 1.00 0.00 C ATOM 833 C GLN A 54 13.240 -5.810 6.055 1.00 0.00 C ATOM 834 O GLN A 54 13.533 -6.195 4.923 1.00 0.00 O ATOM 835 CB GLN A 54 11.513 -6.675 7.645 1.00 0.00 C ATOM 836 CG GLN A 54 10.347 -6.261 8.528 1.00 0.00 C ATOM 837 CD GLN A 54 9.856 -7.390 9.413 1.00 0.00 C ATOM 838 OE1 GLN A 54 10.139 -8.561 9.159 1.00 0.00 O ATOM 839 NE2 GLN A 54 9.115 -7.043 10.459 1.00 0.00 N ATOM 0 H GLN A 54 10.422 -6.889 5.423 1.00 0.00 H new ATOM 0 HA GLN A 54 11.597 -4.688 6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.314 -7.666 7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.411 -6.757 8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.649 -5.420 9.152 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.526 -5.913 7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.905 -6.060 10.632 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.756 -7.760 11.090 1.00 0.00 H new ATOM 848 N SER A 55 14.151 -5.465 6.960 1.00 0.00 N ATOM 849 CA SER A 55 15.578 -5.516 6.666 1.00 0.00 C ATOM 850 C SER A 55 15.970 -6.882 6.110 1.00 0.00 C ATOM 851 O SER A 55 16.745 -6.979 5.159 1.00 0.00 O ATOM 852 CB SER A 55 16.391 -5.214 7.926 1.00 0.00 C ATOM 853 OG SER A 55 16.041 -6.093 8.982 1.00 0.00 O ATOM 0 H SER A 55 13.926 -5.147 7.903 1.00 0.00 H new ATOM 0 HA SER A 55 15.795 -4.760 5.912 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.455 -5.308 7.708 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.219 -4.183 8.235 1.00 0.00 H new ATOM 0 HG SER A 55 16.576 -5.881 9.775 1.00 0.00 H new ATOM 859 N GLY A 56 15.427 -7.937 6.710 1.00 0.00 N ATOM 860 CA GLY A 56 15.730 -9.283 6.263 1.00 0.00 C ATOM 861 C GLY A 56 14.668 -9.839 5.335 1.00 0.00 C ATOM 862 O GLY A 56 14.271 -10.997 5.459 1.00 0.00 O ATOM 0 H GLY A 56 14.782 -7.883 7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.692 -9.284 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.829 -9.937 7.130 1.00 0.00 H new ATOM 866 N ALA A 57 14.206 -9.011 4.404 1.00 0.00 N ATOM 867 CA ALA A 57 13.183 -9.427 3.452 1.00 0.00 C ATOM 868 C ALA A 57 13.802 -9.796 2.108 1.00 0.00 C ATOM 869 O ALA A 57 14.820 -9.241 1.692 1.00 0.00 O ATOM 870 CB ALA A 57 12.149 -8.325 3.273 1.00 0.00 C ATOM 0 H ALA A 57 14.524 -8.049 4.289 1.00 0.00 H new ATOM 0 HA ALA A 57 12.689 -10.313 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.391 -8.649 2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.677 -8.110 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.637 -7.425 2.899 1.00 0.00 H new ATOM 876 N PRO A 58 13.176 -10.756 1.411 1.00 0.00 N ATOM 877 CA PRO A 58 13.649 -11.221 0.103 1.00 0.00 C ATOM 878 C PRO A 58 13.463 -10.172 -0.987 1.00 0.00 C ATOM 879 O PRO A 58 14.215 -10.134 -1.961 1.00 0.00 O ATOM 880 CB PRO A 58 12.772 -12.444 -0.176 1.00 0.00 C ATOM 881 CG PRO A 58 11.530 -12.208 0.613 1.00 0.00 C ATOM 882 CD PRO A 58 11.958 -11.461 1.845 1.00 0.00 C ATOM 0 HA PRO A 58 14.717 -11.438 0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.553 -12.540 -1.239 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.267 -13.365 0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.806 -11.630 0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.049 -13.150 0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.189 -10.765 2.180 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.160 -12.138 2.675 1.00 0.00 H new ATOM 890 N ASP A 59 12.457 -9.321 -0.817 1.00 0.00 N ATOM 891 CA ASP A 59 12.173 -8.269 -1.787 1.00 0.00 C ATOM 892 C ASP A 59 12.033 -6.916 -1.096 1.00 0.00 C ATOM 893 O ASP A 59 10.945 -6.509 -0.689 1.00 0.00 O ATOM 894 CB ASP A 59 10.896 -8.593 -2.563 1.00 0.00 C ATOM 895 CG ASP A 59 11.071 -9.773 -3.499 1.00 0.00 C ATOM 896 OD1 ASP A 59 12.231 -10.117 -3.808 1.00 0.00 O ATOM 897 OD2 ASP A 59 10.048 -10.351 -3.923 1.00 0.00 O ATOM 0 H ASP A 59 11.825 -9.339 -0.017 1.00 0.00 H new ATOM 0 HA ASP A 59 13.009 -8.216 -2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.091 -8.807 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.592 -7.718 -3.138 1.00 0.00 H new ATOM 902 N PRO A 60 13.161 -6.203 -0.958 1.00 0.00 N ATOM 903 CA PRO A 60 13.190 -4.885 -0.316 1.00 0.00 C ATOM 904 C PRO A 60 12.500 -3.816 -1.155 1.00 0.00 C ATOM 905 O PRO A 60 12.386 -2.664 -0.738 1.00 0.00 O ATOM 906 CB PRO A 60 14.686 -4.585 -0.192 1.00 0.00 C ATOM 907 CG PRO A 60 15.324 -5.381 -1.277 1.00 0.00 C ATOM 908 CD PRO A 60 14.493 -6.627 -1.419 1.00 0.00 C ATOM 0 HA PRO A 60 12.660 -4.883 0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.887 -3.520 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.068 -4.874 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.348 -4.819 -2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.356 -5.626 -1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.468 -6.978 -2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.887 -7.444 -0.814 1.00 0.00 H new ATOM 916 N ASN A 61 12.040 -4.205 -2.339 1.00 0.00 N ATOM 917 CA ASN A 61 11.360 -3.278 -3.237 1.00 0.00 C ATOM 918 C ASN A 61 9.937 -3.746 -3.526 1.00 0.00 C ATOM 919 O ASN A 61 9.256 -3.197 -4.393 1.00 0.00 O ATOM 920 CB ASN A 61 12.139 -3.140 -4.547 1.00 0.00 C ATOM 921 CG ASN A 61 12.783 -4.444 -4.977 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.118 -5.476 -5.072 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.084 -4.403 -5.238 1.00 0.00 N ATOM 0 H ASN A 61 12.125 -5.155 -2.699 1.00 0.00 H new ATOM 0 HA ASN A 61 11.312 -2.306 -2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.466 -2.794 -5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.910 -2.379 -4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.572 -5.249 -5.531 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.595 -3.525 -5.146 1.00 0.00 H new ATOM 930 N CYS A 62 9.494 -4.762 -2.794 1.00 0.00 N ATOM 931 CA CYS A 62 8.152 -5.305 -2.971 1.00 0.00 C ATOM 932 C CYS A 62 7.370 -5.261 -1.662 1.00 0.00 C ATOM 933 O CYS A 62 7.901 -5.581 -0.599 1.00 0.00 O ATOM 934 CB CYS A 62 8.224 -6.742 -3.488 1.00 0.00 C ATOM 935 SG CYS A 62 6.697 -7.327 -4.261 1.00 0.00 S ATOM 0 H CYS A 62 10.045 -5.227 -2.072 1.00 0.00 H new ATOM 0 HA CYS A 62 7.632 -4.689 -3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.036 -6.816 -4.211 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.475 -7.403 -2.658 1.00 0.00 H new ATOM 0 HG CYS A 62 6.472 -8.556 -3.902 1.00 0.00 H new ATOM 941 N VAL A 63 6.106 -4.860 -1.747 1.00 0.00 N ATOM 942 CA VAL A 63 5.251 -4.773 -0.569 1.00 0.00 C ATOM 943 C VAL A 63 4.112 -5.784 -0.641 1.00 0.00 C ATOM 944 O VAL A 63 3.547 -6.026 -1.708 1.00 0.00 O ATOM 945 CB VAL A 63 4.659 -3.360 -0.408 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.755 -2.309 -0.490 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.588 -3.109 -1.459 1.00 0.00 C ATOM 0 H VAL A 63 5.651 -4.590 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 63 5.878 -4.997 0.294 1.00 0.00 H new ATOM 0 HB VAL A 63 4.195 -3.289 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.318 -1.317 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.483 -2.480 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.251 -2.376 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.180 -2.106 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.026 -3.198 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.789 -3.842 -1.347 1.00 0.00 H new ATOM 957 N THR A 64 3.778 -6.373 0.503 1.00 0.00 N ATOM 958 CA THR A 64 2.706 -7.359 0.570 1.00 0.00 C ATOM 959 C THR A 64 1.418 -6.736 1.094 1.00 0.00 C ATOM 960 O THR A 64 1.257 -6.538 2.299 1.00 0.00 O ATOM 961 CB THR A 64 3.092 -8.547 1.472 1.00 0.00 C ATOM 962 OG1 THR A 64 4.299 -9.153 0.995 1.00 0.00 O ATOM 963 CG2 THR A 64 1.979 -9.583 1.508 1.00 0.00 C ATOM 0 H THR A 64 4.234 -6.184 1.396 1.00 0.00 H new ATOM 0 HA THR A 64 2.545 -7.720 -0.446 1.00 0.00 H new ATOM 0 HB THR A 64 3.250 -8.171 2.483 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.538 -9.906 1.575 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.274 -10.412 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.070 -9.127 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.794 -9.954 0.500 1.00 0.00 H new ATOM 971 N VAL A 65 0.501 -6.430 0.182 1.00 0.00 N ATOM 972 CA VAL A 65 -0.776 -5.830 0.553 1.00 0.00 C ATOM 973 C VAL A 65 -1.853 -6.895 0.728 1.00 0.00 C ATOM 974 O VAL A 65 -2.050 -7.744 -0.143 1.00 0.00 O ATOM 975 CB VAL A 65 -1.244 -4.810 -0.502 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.588 -4.215 -0.110 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.202 -3.717 -0.686 1.00 0.00 C ATOM 0 H VAL A 65 0.618 -6.587 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.621 -5.315 1.501 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.366 -5.328 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.903 -3.497 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.330 -5.010 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.496 -3.711 0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.550 -3.005 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.046 -3.200 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.737 -4.161 -1.016 1.00 0.00 H new ATOM 987 N THR A 66 -2.549 -6.844 1.859 1.00 0.00 N ATOM 988 CA THR A 66 -3.607 -7.804 2.149 1.00 0.00 C ATOM 989 C THR A 66 -4.983 -7.161 2.024 1.00 0.00 C ATOM 990 O THR A 66 -5.120 -5.943 2.118 1.00 0.00 O ATOM 991 CB THR A 66 -3.456 -8.396 3.563 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.081 -8.698 3.824 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.295 -9.655 3.716 1.00 0.00 C ATOM 0 H THR A 66 -2.399 -6.148 2.589 1.00 0.00 H new ATOM 0 HA THR A 66 -3.516 -8.605 1.416 1.00 0.00 H new ATOM 0 HB THR A 66 -3.807 -7.655 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.994 -9.072 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.172 -10.054 4.723 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.345 -9.415 3.547 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.971 -10.399 2.988 1.00 0.00 H new ATOM 1001 N GLY A 67 -6.001 -7.990 1.810 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.354 -7.483 1.676 1.00 0.00 C ATOM 1003 C GLY A 67 -8.072 -8.058 0.471 1.00 0.00 C ATOM 1004 O GLY A 67 -7.454 -8.696 -0.383 1.00 0.00 O ATOM 0 H GLY A 67 -5.912 -9.003 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.918 -7.719 2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.325 -6.397 1.594 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.379 -7.834 0.401 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.183 -8.337 -0.708 1.00 0.00 C ATOM 1010 C LEU A 68 -9.532 -8.005 -2.047 1.00 0.00 C ATOM 1011 O LEU A 68 -8.813 -7.015 -2.187 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.592 -7.743 -0.652 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.518 -8.311 0.424 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.722 -9.804 0.220 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -11.956 -8.032 1.811 1.00 0.00 C ATOM 0 H LEU A 68 -9.905 -7.308 1.099 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.248 -9.421 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.505 -6.668 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.065 -7.888 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.487 -7.819 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.384 -10.190 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.168 -9.980 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.760 -10.314 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.627 -8.443 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.975 -8.497 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.863 -6.956 1.956 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.789 -8.851 -3.056 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.240 -8.667 -4.402 1.00 0.00 C ATOM 1029 C PRO A 69 -9.852 -7.469 -5.120 1.00 0.00 C ATOM 1030 O PRO A 69 -9.290 -6.961 -6.089 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.613 -9.967 -5.118 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.815 -10.467 -4.394 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.637 -10.051 -2.960 1.00 0.00 C ATOM 0 HA PRO A 69 -8.169 -8.468 -4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.830 -9.790 -6.171 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.798 -10.689 -5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.727 -10.043 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.899 -11.550 -4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.592 -9.831 -2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.160 -10.834 -2.371 1.00 0.00 H new ATOM 1041 N GLU A 70 -11.007 -7.023 -4.636 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.696 -5.884 -5.233 1.00 0.00 C ATOM 1043 C GLU A 70 -11.194 -4.572 -4.637 1.00 0.00 C ATOM 1044 O GLU A 70 -11.236 -3.527 -5.286 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.207 -6.007 -5.025 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.594 -6.452 -3.625 1.00 0.00 C ATOM 1047 CD GLU A 70 -13.690 -7.960 -3.499 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -13.409 -8.658 -4.496 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -14.047 -8.443 -2.404 1.00 0.00 O ATOM 0 H GLU A 70 -11.485 -7.432 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.483 -5.883 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.674 -5.044 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.608 -6.718 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.859 -6.077 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.552 -6.007 -3.358 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.720 -4.635 -3.397 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.211 -3.452 -2.713 1.00 0.00 C ATOM 1058 C ASN A 71 -8.716 -3.278 -2.964 1.00 0.00 C ATOM 1059 O ASN A 71 -8.232 -2.161 -3.148 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.478 -3.552 -1.210 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.952 -3.425 -0.874 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.742 -2.930 -1.678 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.328 -3.872 0.318 1.00 0.00 N ATOM 0 H ASN A 71 -10.678 -5.492 -2.846 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.732 -2.581 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.105 -4.507 -0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.922 -2.771 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.307 -3.813 0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.638 -4.275 0.952 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.990 -4.391 -2.972 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.551 -4.364 -3.203 1.00 0.00 C ATOM 1072 C VAL A 72 -6.219 -3.675 -4.521 1.00 0.00 C ATOM 1073 O VAL A 72 -5.425 -2.735 -4.559 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.957 -5.785 -3.214 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.580 -5.783 -3.862 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.889 -6.345 -1.802 1.00 0.00 C ATOM 0 H VAL A 72 -8.375 -5.323 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.109 -3.801 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.610 -6.428 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.176 -6.795 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.662 -5.426 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.915 -5.126 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.467 -7.350 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.259 -5.703 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.892 -6.384 -1.377 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.833 -4.149 -5.601 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.602 -3.578 -6.923 1.00 0.00 C ATOM 1088 C GLU A 73 -6.601 -2.053 -6.864 1.00 0.00 C ATOM 1089 O GLU A 73 -5.742 -1.399 -7.455 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.670 -4.061 -7.906 1.00 0.00 C ATOM 1091 CG GLU A 73 -9.063 -3.538 -7.596 1.00 0.00 C ATOM 1092 CD GLU A 73 -10.141 -4.242 -8.397 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.889 -5.369 -8.872 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -11.238 -3.665 -8.549 1.00 0.00 O ATOM 0 H GLU A 73 -7.493 -4.926 -5.586 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.624 -3.912 -7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.391 -3.752 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.691 -5.151 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.266 -3.663 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.100 -2.469 -7.804 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.572 -1.494 -6.148 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.684 -0.046 -6.014 1.00 0.00 C ATOM 1103 C GLU A 74 -6.484 0.526 -5.264 1.00 0.00 C ATOM 1104 O GLU A 74 -5.938 1.561 -5.644 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.978 0.322 -5.283 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.234 -0.153 -5.994 1.00 0.00 C ATOM 1107 CD GLU A 74 -10.315 0.339 -7.426 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -9.792 -0.354 -8.323 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -10.903 1.419 -7.649 1.00 0.00 O ATOM 0 H GLU A 74 -8.291 -2.021 -5.653 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.704 0.385 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.954 -0.106 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.024 1.405 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.261 -1.243 -5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.110 0.192 -5.445 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.080 -0.157 -4.198 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.944 0.281 -3.396 1.00 0.00 C ATOM 1118 C ALA A 75 -3.681 0.386 -4.244 1.00 0.00 C ATOM 1119 O ALA A 75 -3.037 1.435 -4.287 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.722 -0.671 -2.231 1.00 0.00 C ATOM 0 H ALA A 75 -6.522 -1.016 -3.870 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.169 1.272 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.871 -0.332 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.613 -0.692 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.523 -1.672 -2.612 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.333 -0.706 -4.915 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.147 -0.735 -5.762 1.00 0.00 C ATOM 1128 C ILE A 76 -2.064 0.511 -6.637 1.00 0.00 C ATOM 1129 O ILE A 76 -1.079 1.248 -6.593 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.130 -1.984 -6.664 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.141 -3.255 -5.813 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.913 -1.961 -7.577 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.279 -4.524 -6.624 1.00 0.00 C ATOM 0 H ILE A 76 -3.855 -1.582 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.285 -0.765 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.026 -1.978 -7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.219 -3.302 -5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.963 -3.198 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.915 -2.850 -8.208 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.946 -1.070 -8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.006 -1.947 -6.973 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.279 -5.385 -5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.214 -4.498 -7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.443 -4.605 -7.319 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.106 0.741 -7.429 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.153 1.900 -8.312 1.00 0.00 C ATOM 1147 C ASP A 77 -2.682 3.156 -7.586 1.00 0.00 C ATOM 1148 O ASP A 77 -1.989 3.996 -8.162 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.573 2.106 -8.843 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.632 3.134 -9.955 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.799 4.065 -9.947 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.511 3.009 -10.834 1.00 0.00 O ATOM 0 H ASP A 77 -3.929 0.140 -7.477 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.483 1.714 -9.151 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.962 1.156 -9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.221 2.422 -8.026 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.063 3.279 -6.318 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.679 4.433 -5.513 1.00 0.00 C ATOM 1159 C HIS A 78 -1.195 4.382 -5.162 1.00 0.00 C ATOM 1160 O HIS A 78 -0.518 5.410 -5.137 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.516 4.491 -4.235 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.148 5.626 -3.329 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -3.955 6.728 -3.138 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.054 5.824 -2.558 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.371 7.556 -2.290 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.216 7.030 -1.922 1.00 0.00 N ATOM 0 H HIS A 78 -3.637 2.594 -5.826 1.00 0.00 H new ATOM 0 HA HIS A 78 -2.864 5.332 -6.101 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.569 4.578 -4.504 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.402 3.552 -3.693 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -4.861 6.880 -3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.210 5.157 -2.461 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -3.770 8.502 -1.955 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.698 3.180 -4.890 1.00 0.00 N ATOM 1175 CA ILE A 79 0.705 2.996 -4.541 1.00 0.00 C ATOM 1176 C ILE A 79 1.617 3.409 -5.691 1.00 0.00 C ATOM 1177 O ILE A 79 2.503 4.248 -5.525 1.00 0.00 O ATOM 1178 CB ILE A 79 1.004 1.533 -4.164 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.272 1.156 -2.874 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.502 1.320 -4.011 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.382 -0.312 -2.524 1.00 0.00 C ATOM 0 H ILE A 79 -1.246 2.320 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 79 0.901 3.633 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 79 0.646 0.887 -4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.673 1.748 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.781 1.420 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.696 0.281 -3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.001 1.553 -4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.884 1.973 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.160 -0.507 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.046 -0.911 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.431 -0.577 -2.393 1.00 0.00 H new ATOM 1193 N LEU A 80 1.393 2.816 -6.859 1.00 0.00 N ATOM 1194 CA LEU A 80 2.193 3.124 -8.039 1.00 0.00 C ATOM 1195 C LEU A 80 2.049 4.592 -8.427 1.00 0.00 C ATOM 1196 O LEU A 80 2.990 5.208 -8.925 1.00 0.00 O ATOM 1197 CB LEU A 80 1.776 2.232 -9.209 1.00 0.00 C ATOM 1198 CG LEU A 80 2.467 0.870 -9.295 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.697 -0.062 -10.217 1.00 0.00 C ATOM 1200 CD2 LEU A 80 3.903 1.030 -9.773 1.00 0.00 C ATOM 0 H LEU A 80 0.664 2.119 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 80 3.239 2.932 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.700 2.068 -9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.965 2.772 -10.137 1.00 0.00 H new ATOM 0 HG LEU A 80 2.484 0.429 -8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.204 -1.026 -10.266 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.687 -0.202 -9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.648 0.373 -11.215 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.379 0.051 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.909 1.492 -10.760 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.451 1.661 -9.074 1.00 0.00 H new ATOM 1212 N ASN A 81 0.863 5.146 -8.195 1.00 0.00 N ATOM 1213 CA ASN A 81 0.596 6.543 -8.519 1.00 0.00 C ATOM 1214 C ASN A 81 1.609 7.462 -7.843 1.00 0.00 C ATOM 1215 O ASN A 81 2.132 8.390 -8.462 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.822 6.925 -8.089 1.00 0.00 C ATOM 1217 CG ASN A 81 -1.016 8.427 -8.008 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.607 9.166 -8.904 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.643 8.885 -6.931 1.00 0.00 N ATOM 0 H ASN A 81 0.072 4.649 -7.784 1.00 0.00 H new ATOM 0 HA ASN A 81 0.687 6.664 -9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.538 6.506 -8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.036 6.481 -7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.803 9.886 -6.821 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.965 8.235 -6.213 1.00 0.00 H new ATOM 1226 N LEU A 82 1.883 7.197 -6.570 1.00 0.00 N ATOM 1227 CA LEU A 82 2.834 8.000 -5.810 1.00 0.00 C ATOM 1228 C LEU A 82 4.270 7.640 -6.182 1.00 0.00 C ATOM 1229 O LEU A 82 5.125 8.516 -6.308 1.00 0.00 O ATOM 1230 CB LEU A 82 2.618 7.796 -4.309 1.00 0.00 C ATOM 1231 CG LEU A 82 1.191 8.002 -3.803 1.00 0.00 C ATOM 1232 CD1 LEU A 82 1.096 7.670 -2.321 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.734 9.431 -4.061 1.00 0.00 C ATOM 0 H LEU A 82 1.460 6.433 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 82 2.666 9.048 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.931 6.784 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.275 8.480 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 82 0.532 7.327 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.072 7.823 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.380 6.630 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.767 8.319 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.284 9.559 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.396 10.124 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.762 9.634 -5.131 1.00 0.00 H new ATOM 1245 N GLU A 83 4.524 6.348 -6.358 1.00 0.00 N ATOM 1246 CA GLU A 83 5.855 5.874 -6.717 1.00 0.00 C ATOM 1247 C GLU A 83 6.497 6.789 -7.755 1.00 0.00 C ATOM 1248 O GLU A 83 7.669 7.147 -7.642 1.00 0.00 O ATOM 1249 CB GLU A 83 5.783 4.444 -7.257 1.00 0.00 C ATOM 1250 CG GLU A 83 7.144 3.838 -7.559 1.00 0.00 C ATOM 1251 CD GLU A 83 7.080 2.765 -8.628 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.537 1.676 -8.346 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.573 3.014 -9.748 1.00 0.00 O ATOM 0 H GLU A 83 3.826 5.611 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 83 6.471 5.885 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.268 3.816 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.182 4.438 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.825 4.626 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.558 3.411 -6.646 1.00 0.00 H new ATOM 1260 N GLU A 84 5.719 7.164 -8.766 1.00 0.00 N ATOM 1261 CA GLU A 84 6.212 8.037 -9.825 1.00 0.00 C ATOM 1262 C GLU A 84 6.478 9.442 -9.293 1.00 0.00 C ATOM 1263 O GLU A 84 7.627 9.871 -9.192 1.00 0.00 O ATOM 1264 CB GLU A 84 5.206 8.098 -10.976 1.00 0.00 C ATOM 1265 CG GLU A 84 5.692 8.906 -12.168 1.00 0.00 C ATOM 1266 CD GLU A 84 4.572 9.267 -13.124 1.00 0.00 C ATOM 1267 OE1 GLU A 84 3.869 10.266 -12.863 1.00 0.00 O ATOM 1268 OE2 GLU A 84 4.398 8.552 -14.132 1.00 0.00 O ATOM 0 H GLU A 84 4.746 6.877 -8.874 1.00 0.00 H new ATOM 0 HA GLU A 84 7.151 7.623 -10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.980 7.083 -11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.274 8.530 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.170 9.819 -11.813 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.452 8.336 -12.703 1.00 0.00 H new ATOM 1275 N GLU A 85 5.407 10.153 -8.955 1.00 0.00 N ATOM 1276 CA GLU A 85 5.525 11.510 -8.434 1.00 0.00 C ATOM 1277 C GLU A 85 6.666 11.609 -7.426 1.00 0.00 C ATOM 1278 O GLU A 85 7.593 12.401 -7.597 1.00 0.00 O ATOM 1279 CB GLU A 85 4.212 11.945 -7.780 1.00 0.00 C ATOM 1280 CG GLU A 85 4.305 13.277 -7.054 1.00 0.00 C ATOM 1281 CD GLU A 85 4.777 14.400 -7.956 1.00 0.00 C ATOM 1282 OE1 GLU A 85 4.324 14.460 -9.118 1.00 0.00 O ATOM 1283 OE2 GLU A 85 5.600 15.221 -7.499 1.00 0.00 O ATOM 0 H GLU A 85 4.449 9.812 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 85 5.744 12.175 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.439 12.011 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.896 11.177 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.328 13.532 -6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.990 13.180 -6.211 1.00 0.00 H new ATOM 1290 N TYR A 86 6.590 10.800 -6.375 1.00 0.00 N ATOM 1291 CA TYR A 86 7.614 10.798 -5.337 1.00 0.00 C ATOM 1292 C TYR A 86 9.011 10.805 -5.950 1.00 0.00 C ATOM 1293 O TYR A 86 9.833 11.669 -5.641 1.00 0.00 O ATOM 1294 CB TYR A 86 7.448 9.577 -4.430 1.00 0.00 C ATOM 1295 CG TYR A 86 6.420 9.768 -3.338 1.00 0.00 C ATOM 1296 CD1 TYR A 86 5.139 10.217 -3.635 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.730 9.501 -2.011 1.00 0.00 C ATOM 1298 CE1 TYR A 86 4.196 10.394 -2.640 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.793 9.673 -1.010 1.00 0.00 C ATOM 1300 CZ TYR A 86 4.528 10.120 -1.330 1.00 0.00 C ATOM 1301 OH TYR A 86 3.593 10.295 -0.336 1.00 0.00 O ATOM 0 H TYR A 86 5.830 10.137 -6.219 1.00 0.00 H new ATOM 0 HA TYR A 86 7.494 11.703 -4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.164 8.719 -5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.410 9.340 -3.975 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.876 10.431 -4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.720 9.153 -1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.205 10.745 -2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.050 9.459 0.017 1.00 0.00 H new ATOM 0 HH TYR A 86 3.987 10.057 0.529 1.00 0.00 H new ATOM 1311 N LEU A 87 9.273 9.836 -6.820 1.00 0.00 N ATOM 1312 CA LEU A 87 10.570 9.729 -7.478 1.00 0.00 C ATOM 1313 C LEU A 87 10.951 11.045 -8.149 1.00 0.00 C ATOM 1314 O LEU A 87 12.080 11.516 -8.016 1.00 0.00 O ATOM 1315 CB LEU A 87 10.547 8.603 -8.514 1.00 0.00 C ATOM 1316 CG LEU A 87 10.845 7.199 -7.987 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.408 6.147 -8.994 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.325 7.053 -7.667 1.00 0.00 C ATOM 0 H LEU A 87 8.604 9.113 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 87 11.317 9.500 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.565 8.591 -8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.272 8.838 -9.293 1.00 0.00 H new ATOM 0 HG LEU A 87 10.279 7.049 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.628 5.154 -8.602 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.337 6.237 -9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.946 6.294 -9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.519 6.048 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.911 7.224 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.607 7.783 -6.908 1.00 0.00 H new ATOM 1330 N ALA A 88 10.000 11.634 -8.867 1.00 0.00 N ATOM 1331 CA ALA A 88 10.234 12.897 -9.554 1.00 0.00 C ATOM 1332 C ALA A 88 11.024 13.862 -8.676 1.00 0.00 C ATOM 1333 O ALA A 88 11.811 14.667 -9.173 1.00 0.00 O ATOM 1334 CB ALA A 88 8.912 13.523 -9.973 1.00 0.00 C ATOM 0 H ALA A 88 9.060 11.256 -8.988 1.00 0.00 H new ATOM 0 HA ALA A 88 10.825 12.692 -10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.102 14.466 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.385 12.845 -10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.300 13.707 -9.090 1.00 0.00 H new