USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 HIS : no HD1:sc= -2.44 K(o=-2.4,f=-1.5) USER MOD Set 1.2: A 25 GLN : amide:sc=-0.000547 K(o=-2.4,f=-1.9) USER MOD Single : A 12 MET CE :methyl -164:sc= -0.0357 (180deg=-0.431) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0.947 K(o=0.95,f=-0.014) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.00296 X(o=0.003,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -39:sc= 1.17 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -104:sc= -1.44 (180deg=-3.62!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -1.031 0.333 -7.179 1.00 0.00 N ATOM 130 CA PRO A 11 -0.894 1.371 -6.153 1.00 0.00 C ATOM 131 C PRO A 11 -1.033 2.777 -6.729 1.00 0.00 C ATOM 132 O PRO A 11 -0.638 3.033 -7.866 1.00 0.00 O ATOM 133 CB PRO A 11 0.521 1.152 -5.613 1.00 0.00 C ATOM 134 CG PRO A 11 1.255 0.495 -6.731 1.00 0.00 C ATOM 135 CD PRO A 11 0.243 -0.354 -7.449 1.00 0.00 C ATOM 0 HA PRO A 11 -1.671 1.297 -5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.989 2.096 -5.333 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.512 0.524 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.689 1.236 -7.402 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.077 -0.113 -6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.451 -0.410 -8.518 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.236 -1.377 -7.072 1.00 0.00 H new ATOM 143 N MET A 12 -1.595 3.683 -5.936 1.00 0.00 N ATOM 144 CA MET A 12 -1.784 5.063 -6.367 1.00 0.00 C ATOM 145 C MET A 12 -0.460 5.821 -6.357 1.00 0.00 C ATOM 146 O MET A 12 0.183 5.952 -5.316 1.00 0.00 O ATOM 147 CB MET A 12 -2.796 5.769 -5.462 1.00 0.00 C ATOM 148 CG MET A 12 -2.306 5.961 -4.036 1.00 0.00 C ATOM 149 SD MET A 12 -3.650 6.276 -2.876 1.00 0.00 S ATOM 150 CE MET A 12 -4.585 7.514 -3.769 1.00 0.00 C ATOM 0 H MET A 12 -1.927 3.487 -4.992 1.00 0.00 H new ATOM 0 HA MET A 12 -2.168 5.050 -7.387 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.036 6.743 -5.889 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.721 5.192 -5.445 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.760 5.072 -3.721 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.603 6.794 -4.006 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.272 8.014 -3.086 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.902 8.247 -4.198 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.152 7.036 -4.568 1.00 0.00 H new ATOM 160 N SER A 13 -0.060 6.319 -7.523 1.00 0.00 N ATOM 161 CA SER A 13 1.189 7.061 -7.648 1.00 0.00 C ATOM 162 C SER A 13 1.046 8.468 -7.077 1.00 0.00 C ATOM 163 O SER A 13 -0.063 8.931 -6.810 1.00 0.00 O ATOM 164 CB SER A 13 1.618 7.135 -9.115 1.00 0.00 C ATOM 165 OG SER A 13 1.950 5.851 -9.615 1.00 0.00 O ATOM 0 H SER A 13 -0.582 6.222 -8.394 1.00 0.00 H new ATOM 0 HA SER A 13 1.954 6.533 -7.079 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.813 7.564 -9.711 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.476 7.800 -9.213 1.00 0.00 H new ATOM 0 HG SER A 13 2.219 5.925 -10.554 1.00 0.00 H new ATOM 171 N ALA A 14 2.175 9.143 -6.892 1.00 0.00 N ATOM 172 CA ALA A 14 2.176 10.498 -6.355 1.00 0.00 C ATOM 173 C ALA A 14 1.129 11.364 -7.047 1.00 0.00 C ATOM 174 O ALA A 14 0.425 12.139 -6.400 1.00 0.00 O ATOM 175 CB ALA A 14 3.557 11.122 -6.498 1.00 0.00 C ATOM 0 H ALA A 14 3.101 8.774 -7.106 1.00 0.00 H new ATOM 0 HA ALA A 14 1.922 10.442 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.543 12.134 -6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.285 10.523 -5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.833 11.157 -7.552 1.00 0.00 H new ATOM 181 N SER A 15 1.032 11.227 -8.365 1.00 0.00 N ATOM 182 CA SER A 15 0.073 12.001 -9.146 1.00 0.00 C ATOM 183 C SER A 15 -1.308 11.967 -8.498 1.00 0.00 C ATOM 184 O SER A 15 -2.061 12.937 -8.566 1.00 0.00 O ATOM 185 CB SER A 15 -0.008 11.460 -10.574 1.00 0.00 C ATOM 186 OG SER A 15 -0.297 10.072 -10.579 1.00 0.00 O ATOM 0 H SER A 15 1.605 10.587 -8.915 1.00 0.00 H new ATOM 0 HA SER A 15 0.416 13.035 -9.176 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.779 11.997 -11.126 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.936 11.640 -11.088 1.00 0.00 H new ATOM 0 HG SER A 15 -0.345 9.751 -11.504 1.00 0.00 H new ATOM 192 N ALA A 16 -1.632 10.841 -7.869 1.00 0.00 N ATOM 193 CA ALA A 16 -2.921 10.680 -7.207 1.00 0.00 C ATOM 194 C ALA A 16 -2.868 11.192 -5.772 1.00 0.00 C ATOM 195 O ALA A 16 -3.768 11.902 -5.321 1.00 0.00 O ATOM 196 CB ALA A 16 -3.349 9.221 -7.234 1.00 0.00 C ATOM 0 H ALA A 16 -1.020 10.028 -7.804 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.657 11.273 -7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.313 9.115 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.436 8.886 -8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.605 8.614 -6.717 1.00 0.00 H new ATOM 202 N LEU A 17 -1.809 10.827 -5.057 1.00 0.00 N ATOM 203 CA LEU A 17 -1.639 11.249 -3.671 1.00 0.00 C ATOM 204 C LEU A 17 -1.855 12.752 -3.529 1.00 0.00 C ATOM 205 O LEU A 17 -2.820 13.196 -2.906 1.00 0.00 O ATOM 206 CB LEU A 17 -0.243 10.873 -3.171 1.00 0.00 C ATOM 207 CG LEU A 17 0.052 9.376 -3.068 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.485 9.145 -2.614 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.926 8.704 -2.115 1.00 0.00 C ATOM 0 H LEU A 17 -1.055 10.240 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.386 10.735 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.493 11.323 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.098 11.320 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.071 8.932 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.677 8.074 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.171 9.592 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.635 9.603 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.701 7.639 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.835 9.151 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.943 8.840 -2.482 1.00 0.00 H new ATOM 221 N PHE A 18 -0.951 13.532 -4.113 1.00 0.00 N ATOM 222 CA PHE A 18 -1.043 14.987 -4.053 1.00 0.00 C ATOM 223 C PHE A 18 -2.494 15.445 -4.171 1.00 0.00 C ATOM 224 O PHE A 18 -2.942 16.322 -3.432 1.00 0.00 O ATOM 225 CB PHE A 18 -0.205 15.618 -5.166 1.00 0.00 C ATOM 226 CG PHE A 18 -0.387 17.105 -5.284 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.458 17.631 -5.987 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.514 17.975 -4.691 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.628 18.999 -6.097 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.348 19.343 -4.797 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.724 19.855 -5.502 1.00 0.00 C ATOM 0 H PHE A 18 -0.147 13.181 -4.633 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.655 15.312 -3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.848 15.402 -4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.467 15.151 -6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.168 16.965 -6.455 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.355 17.580 -4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.467 19.397 -6.648 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.056 20.011 -4.329 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.854 20.924 -5.587 1.00 0.00 H new ATOM 241 N VAL A 19 -3.223 14.846 -5.107 1.00 0.00 N ATOM 242 CA VAL A 19 -4.623 15.192 -5.323 1.00 0.00 C ATOM 243 C VAL A 19 -5.465 14.867 -4.094 1.00 0.00 C ATOM 244 O VAL A 19 -6.223 15.707 -3.610 1.00 0.00 O ATOM 245 CB VAL A 19 -5.204 14.448 -6.540 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.684 14.759 -6.700 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.435 14.810 -7.802 1.00 0.00 C ATOM 0 H VAL A 19 -2.868 14.119 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.658 16.265 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.099 13.376 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.077 14.224 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.221 14.445 -5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.817 15.831 -6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.859 14.275 -8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.506 15.884 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.388 14.531 -7.683 1.00 0.00 H new ATOM 257 N GLN A 20 -5.325 13.644 -3.594 1.00 0.00 N ATOM 258 CA GLN A 20 -6.074 13.208 -2.421 1.00 0.00 C ATOM 259 C GLN A 20 -5.663 14.004 -1.187 1.00 0.00 C ATOM 260 O GLN A 20 -6.364 14.005 -0.174 1.00 0.00 O ATOM 261 CB GLN A 20 -5.854 11.714 -2.175 1.00 0.00 C ATOM 262 CG GLN A 20 -6.683 11.158 -1.029 1.00 0.00 C ATOM 263 CD GLN A 20 -6.532 9.658 -0.874 1.00 0.00 C ATOM 264 OE1 GLN A 20 -7.458 8.896 -1.156 1.00 0.00 O ATOM 265 NE2 GLN A 20 -5.361 9.224 -0.423 1.00 0.00 N ATOM 0 H GLN A 20 -4.700 12.937 -3.982 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.133 13.386 -2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.094 11.165 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.798 11.540 -1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.387 11.647 -0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.733 11.398 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.621 9.890 -0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.201 8.224 -0.298 1.00 0.00 H new ATOM 274 N ASP A 21 -4.523 14.680 -1.278 1.00 0.00 N ATOM 275 CA ASP A 21 -4.018 15.481 -0.168 1.00 0.00 C ATOM 276 C ASP A 21 -4.649 16.870 -0.170 1.00 0.00 C ATOM 277 O ASP A 21 -4.846 17.476 0.884 1.00 0.00 O ATOM 278 CB ASP A 21 -2.496 15.599 -0.248 1.00 0.00 C ATOM 279 CG ASP A 21 -1.789 14.445 0.435 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.201 13.286 0.219 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.823 14.700 1.184 1.00 0.00 O ATOM 0 H ASP A 21 -3.931 14.690 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.287 14.980 0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.192 15.639 -1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.183 16.536 0.211 1.00 0.00 H new ATOM 286 N HIS A 22 -4.964 17.370 -1.361 1.00 0.00 N ATOM 287 CA HIS A 22 -5.573 18.688 -1.500 1.00 0.00 C ATOM 288 C HIS A 22 -6.982 18.579 -2.073 1.00 0.00 C ATOM 289 O HIS A 22 -7.630 19.588 -2.352 1.00 0.00 O ATOM 290 CB HIS A 22 -4.712 19.579 -2.397 1.00 0.00 C ATOM 291 CG HIS A 22 -3.251 19.519 -2.075 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.707 20.079 -0.939 1.00 0.00 N ATOM 293 CD2 HIS A 22 -2.219 18.958 -2.748 1.00 0.00 C ATOM 294 CE1 HIS A 22 -1.403 19.868 -0.928 1.00 0.00 C ATOM 295 NE2 HIS A 22 -1.081 19.189 -2.014 1.00 0.00 N ATOM 0 H HIS A 22 -4.808 16.882 -2.243 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.638 19.137 -0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.859 19.285 -3.436 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.054 20.610 -2.306 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.279 18.428 -3.687 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.717 20.195 -0.161 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.141 18.886 -2.267 1.00 0.00 H new ATOM 304 N ARG A 23 -7.450 17.347 -2.248 1.00 0.00 N ATOM 305 CA ARG A 23 -8.782 17.106 -2.791 1.00 0.00 C ATOM 306 C ARG A 23 -9.848 17.790 -1.940 1.00 0.00 C ATOM 307 O ARG A 23 -10.598 18.646 -2.410 1.00 0.00 O ATOM 308 CB ARG A 23 -9.061 15.603 -2.865 1.00 0.00 C ATOM 309 CG ARG A 23 -10.520 15.243 -2.639 1.00 0.00 C ATOM 310 CD ARG A 23 -10.734 13.738 -2.677 1.00 0.00 C ATOM 311 NE ARG A 23 -10.539 13.124 -1.366 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.618 11.816 -1.148 1.00 0.00 C ATOM 313 NH1 ARG A 23 -10.887 10.989 -2.148 1.00 0.00 N ATOM 314 NH2 ARG A 23 -10.427 11.334 0.074 1.00 0.00 N ATOM 0 H ARG A 23 -6.927 16.501 -2.022 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.819 17.526 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.751 15.232 -3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.450 15.091 -2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.848 15.634 -1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.136 15.719 -3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.742 13.524 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.044 13.292 -3.393 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.331 13.733 -0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.034 11.356 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.947 9.985 -1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.220 11.968 0.846 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.488 10.330 0.241 1.00 0.00 H new ATOM 328 N PRO A 24 -9.918 17.405 -0.657 1.00 0.00 N ATOM 329 CA PRO A 24 -10.889 17.969 0.286 1.00 0.00 C ATOM 330 C PRO A 24 -10.580 19.421 0.637 1.00 0.00 C ATOM 331 O PRO A 24 -11.487 20.211 0.899 1.00 0.00 O ATOM 332 CB PRO A 24 -10.741 17.078 1.522 1.00 0.00 C ATOM 333 CG PRO A 24 -9.354 16.540 1.438 1.00 0.00 C ATOM 334 CD PRO A 24 -9.056 16.391 -0.028 1.00 0.00 C ATOM 0 HA PRO A 24 -11.897 17.985 -0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.890 17.647 2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.478 16.275 1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.644 17.216 1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.275 15.582 1.952 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.003 16.569 -0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.289 15.388 -0.385 1.00 0.00 H new ATOM 342 N GLN A 25 -9.297 19.765 0.638 1.00 0.00 N ATOM 343 CA GLN A 25 -8.870 21.122 0.957 1.00 0.00 C ATOM 344 C GLN A 25 -9.397 22.114 -0.075 1.00 0.00 C ATOM 345 O GLN A 25 -9.974 23.143 0.277 1.00 0.00 O ATOM 346 CB GLN A 25 -7.344 21.198 1.021 1.00 0.00 C ATOM 347 CG GLN A 25 -6.827 22.254 1.985 1.00 0.00 C ATOM 348 CD GLN A 25 -5.441 22.749 1.620 1.00 0.00 C ATOM 349 OE1 GLN A 25 -4.544 21.958 1.329 1.00 0.00 O ATOM 350 NE2 GLN A 25 -5.260 24.064 1.634 1.00 0.00 N ATOM 0 H GLN A 25 -8.535 19.123 0.421 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.281 21.386 1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.952 20.225 1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.957 21.408 0.024 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.518 23.097 1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.807 21.841 2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.032 24.683 1.881 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.349 24.456 1.397 1.00 0.00 H new ATOM 359 N PHE A 26 -9.194 21.799 -1.350 1.00 0.00 N ATOM 360 CA PHE A 26 -9.647 22.664 -2.433 1.00 0.00 C ATOM 361 C PHE A 26 -11.066 23.162 -2.173 1.00 0.00 C ATOM 362 O PHE A 26 -11.417 24.286 -2.533 1.00 0.00 O ATOM 363 CB PHE A 26 -9.593 21.917 -3.767 1.00 0.00 C ATOM 364 CG PHE A 26 -9.501 22.825 -4.959 1.00 0.00 C ATOM 365 CD1 PHE A 26 -10.550 23.669 -5.287 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.365 22.836 -5.753 1.00 0.00 C ATOM 367 CE1 PHE A 26 -10.467 24.506 -6.384 1.00 0.00 C ATOM 368 CE2 PHE A 26 -8.277 23.670 -6.851 1.00 0.00 C ATOM 369 CZ PHE A 26 -9.329 24.507 -7.166 1.00 0.00 C ATOM 0 H PHE A 26 -8.719 20.951 -1.659 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.981 23.526 -2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.734 21.246 -3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.483 21.295 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.442 23.673 -4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.538 22.185 -5.510 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.292 25.159 -6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.387 23.667 -7.462 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.262 25.161 -8.023 1.00 0.00 H new ATOM 379 N LEU A 27 -11.878 22.317 -1.547 1.00 0.00 N ATOM 380 CA LEU A 27 -13.259 22.670 -1.239 1.00 0.00 C ATOM 381 C LEU A 27 -13.324 23.643 -0.066 1.00 0.00 C ATOM 382 O LEU A 27 -14.051 24.636 -0.111 1.00 0.00 O ATOM 383 CB LEU A 27 -14.068 21.412 -0.918 1.00 0.00 C ATOM 384 CG LEU A 27 -14.646 20.661 -2.118 1.00 0.00 C ATOM 385 CD1 LEU A 27 -15.905 21.350 -2.623 1.00 0.00 C ATOM 386 CD2 LEU A 27 -13.612 20.554 -3.229 1.00 0.00 C ATOM 0 H LEU A 27 -11.604 21.383 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.688 23.157 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.430 20.727 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.890 21.691 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.911 19.653 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.302 20.802 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.651 21.374 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.665 22.369 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.041 20.017 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.315 21.553 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.738 20.015 -2.862 1.00 0.00 H new ATOM 398 N ILE A 28 -12.558 23.353 0.980 1.00 0.00 N ATOM 399 CA ILE A 28 -12.527 24.204 2.163 1.00 0.00 C ATOM 400 C ILE A 28 -12.419 25.676 1.778 1.00 0.00 C ATOM 401 O ILE A 28 -13.243 26.495 2.183 1.00 0.00 O ATOM 402 CB ILE A 28 -11.350 23.840 3.087 1.00 0.00 C ATOM 403 CG1 ILE A 28 -11.637 22.528 3.820 1.00 0.00 C ATOM 404 CG2 ILE A 28 -11.091 24.962 4.081 1.00 0.00 C ATOM 405 CD1 ILE A 28 -10.543 22.122 4.782 1.00 0.00 C ATOM 0 H ILE A 28 -11.951 22.535 1.032 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.463 24.037 2.697 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.456 23.707 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.574 22.625 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.777 21.734 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.256 24.690 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.849 25.878 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.982 25.123 4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.814 21.183 5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.608 21.993 4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.417 22.897 5.538 1.00 0.00 H new ATOM 417 N GLU A 29 -11.399 26.003 0.991 1.00 0.00 N ATOM 418 CA GLU A 29 -11.185 27.377 0.551 1.00 0.00 C ATOM 419 C GLU A 29 -12.092 27.718 -0.628 1.00 0.00 C ATOM 420 O GLU A 29 -12.607 28.831 -0.727 1.00 0.00 O ATOM 421 CB GLU A 29 -9.721 27.588 0.160 1.00 0.00 C ATOM 422 CG GLU A 29 -8.740 27.262 1.273 1.00 0.00 C ATOM 423 CD GLU A 29 -8.431 25.780 1.362 1.00 0.00 C ATOM 424 OE1 GLU A 29 -8.250 25.147 0.301 1.00 0.00 O ATOM 425 OE2 GLU A 29 -8.370 25.253 2.493 1.00 0.00 O ATOM 0 H GLU A 29 -10.709 25.336 0.645 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.431 28.040 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.493 26.968 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.581 28.625 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.814 27.813 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.149 27.602 2.224 1.00 0.00 H new ATOM 432 N ASN A 30 -12.281 26.751 -1.520 1.00 0.00 N ATOM 433 CA ASN A 30 -13.125 26.948 -2.694 1.00 0.00 C ATOM 434 C ASN A 30 -14.332 26.015 -2.659 1.00 0.00 C ATOM 435 O ASN A 30 -14.360 24.972 -3.313 1.00 0.00 O ATOM 436 CB ASN A 30 -12.319 26.711 -3.972 1.00 0.00 C ATOM 437 CG ASN A 30 -10.904 27.248 -3.872 1.00 0.00 C ATOM 438 OD1 ASN A 30 -10.671 28.446 -4.031 1.00 0.00 O ATOM 439 ND2 ASN A 30 -9.952 26.361 -3.609 1.00 0.00 N ATOM 0 H ASN A 30 -11.862 25.824 -1.453 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.484 27.977 -2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.285 25.642 -4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.826 27.186 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.981 26.663 -3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.192 25.377 -3.485 1.00 0.00 H new ATOM 446 N PRO A 31 -15.353 26.398 -1.878 1.00 0.00 N ATOM 447 CA PRO A 31 -16.582 25.610 -1.740 1.00 0.00 C ATOM 448 C PRO A 31 -17.423 25.620 -3.013 1.00 0.00 C ATOM 449 O PRO A 31 -17.861 24.572 -3.488 1.00 0.00 O ATOM 450 CB PRO A 31 -17.327 26.312 -0.602 1.00 0.00 C ATOM 451 CG PRO A 31 -16.821 27.713 -0.625 1.00 0.00 C ATOM 452 CD PRO A 31 -15.387 27.628 -1.071 1.00 0.00 C ATOM 0 HA PRO A 31 -16.372 24.558 -1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.406 26.278 -0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.126 25.834 0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.406 28.328 -1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.897 28.171 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -15.096 28.500 -1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.705 27.571 -0.223 1.00 0.00 H new ATOM 460 N LYS A 32 -17.643 26.810 -3.561 1.00 0.00 N ATOM 461 CA LYS A 32 -18.430 26.957 -4.780 1.00 0.00 C ATOM 462 C LYS A 32 -18.109 25.844 -5.773 1.00 0.00 C ATOM 463 O LYS A 32 -19.001 25.304 -6.427 1.00 0.00 O ATOM 464 CB LYS A 32 -18.164 28.320 -5.422 1.00 0.00 C ATOM 465 CG LYS A 32 -19.021 28.594 -6.646 1.00 0.00 C ATOM 466 CD LYS A 32 -18.351 28.103 -7.918 1.00 0.00 C ATOM 467 CE LYS A 32 -17.421 29.156 -8.500 1.00 0.00 C ATOM 468 NZ LYS A 32 -17.026 28.834 -9.899 1.00 0.00 N ATOM 0 H LYS A 32 -17.287 27.687 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.484 26.888 -4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -18.341 29.101 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.113 28.380 -5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -19.988 28.104 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -19.213 29.664 -6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.787 27.195 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.112 27.841 -8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.913 30.128 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.528 29.235 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.392 29.575 -10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.534 27.918 -9.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -17.876 28.784 -10.497 1.00 0.00 H new ATOM 482 N THR A 33 -16.828 25.504 -5.879 1.00 0.00 N ATOM 483 CA THR A 33 -16.389 24.455 -6.791 1.00 0.00 C ATOM 484 C THR A 33 -16.909 23.091 -6.351 1.00 0.00 C ATOM 485 O THR A 33 -17.070 22.832 -5.159 1.00 0.00 O ATOM 486 CB THR A 33 -14.852 24.400 -6.886 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.322 25.724 -7.011 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.414 23.558 -8.075 1.00 0.00 C ATOM 0 H THR A 33 -16.077 25.940 -5.345 1.00 0.00 H new ATOM 0 HA THR A 33 -16.798 24.697 -7.772 1.00 0.00 H new ATOM 0 HB THR A 33 -14.469 23.940 -5.975 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.345 25.681 -7.069 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.325 23.533 -8.122 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.795 22.543 -7.962 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.807 23.993 -8.994 1.00 0.00 H new ATOM 496 N SER A 34 -17.168 22.221 -7.322 1.00 0.00 N ATOM 497 CA SER A 34 -17.673 20.883 -7.035 1.00 0.00 C ATOM 498 C SER A 34 -16.532 19.872 -6.983 1.00 0.00 C ATOM 499 O SER A 34 -15.361 20.232 -7.107 1.00 0.00 O ATOM 500 CB SER A 34 -18.695 20.463 -8.093 1.00 0.00 C ATOM 501 OG SER A 34 -19.732 21.422 -8.210 1.00 0.00 O ATOM 0 H SER A 34 -17.037 22.418 -8.314 1.00 0.00 H new ATOM 0 HA SER A 34 -18.159 20.906 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.198 20.341 -9.055 1.00 0.00 H new ATOM 0 HB3 SER A 34 -19.119 19.494 -7.829 1.00 0.00 H new ATOM 0 HG SER A 34 -20.371 21.131 -8.894 1.00 0.00 H new ATOM 507 N LEU A 35 -16.882 18.604 -6.799 1.00 0.00 N ATOM 508 CA LEU A 35 -15.889 17.538 -6.730 1.00 0.00 C ATOM 509 C LEU A 35 -15.100 17.445 -8.032 1.00 0.00 C ATOM 510 O LEU A 35 -13.922 17.798 -8.082 1.00 0.00 O ATOM 511 CB LEU A 35 -16.568 16.199 -6.435 1.00 0.00 C ATOM 512 CG LEU A 35 -16.864 15.907 -4.964 1.00 0.00 C ATOM 513 CD1 LEU A 35 -17.983 14.885 -4.838 1.00 0.00 C ATOM 514 CD2 LEU A 35 -15.610 15.418 -4.254 1.00 0.00 C ATOM 0 H LEU A 35 -17.846 18.289 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.196 17.772 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.506 16.160 -6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.936 15.400 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.189 16.832 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.180 14.689 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.885 15.274 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -17.687 13.958 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.840 15.215 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.254 14.505 -4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.836 16.183 -4.314 1.00 0.00 H new ATOM 526 N GLU A 36 -15.758 16.969 -9.085 1.00 0.00 N ATOM 527 CA GLU A 36 -15.117 16.831 -10.388 1.00 0.00 C ATOM 528 C GLU A 36 -14.388 18.115 -10.774 1.00 0.00 C ATOM 529 O GLU A 36 -13.245 18.079 -11.229 1.00 0.00 O ATOM 530 CB GLU A 36 -16.154 16.479 -11.456 1.00 0.00 C ATOM 531 CG GLU A 36 -17.430 17.300 -11.360 1.00 0.00 C ATOM 532 CD GLU A 36 -18.416 16.976 -12.465 1.00 0.00 C ATOM 533 OE1 GLU A 36 -17.971 16.729 -13.605 1.00 0.00 O ATOM 534 OE2 GLU A 36 -19.634 16.968 -12.188 1.00 0.00 O ATOM 0 H GLU A 36 -16.734 16.673 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.386 16.025 -10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.712 16.624 -12.442 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.405 15.422 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.901 17.121 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.180 18.360 -11.401 1.00 0.00 H new ATOM 541 N ASP A 37 -15.058 19.247 -10.589 1.00 0.00 N ATOM 542 CA ASP A 37 -14.475 20.543 -10.917 1.00 0.00 C ATOM 543 C ASP A 37 -13.203 20.786 -10.111 1.00 0.00 C ATOM 544 O ASP A 37 -12.172 21.172 -10.662 1.00 0.00 O ATOM 545 CB ASP A 37 -15.484 21.662 -10.651 1.00 0.00 C ATOM 546 CG ASP A 37 -15.199 22.905 -11.471 1.00 0.00 C ATOM 547 OD1 ASP A 37 -14.526 22.785 -12.517 1.00 0.00 O ATOM 548 OD2 ASP A 37 -15.650 23.997 -11.068 1.00 0.00 O ATOM 0 H ASP A 37 -16.005 19.294 -10.214 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.218 20.541 -11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.488 21.303 -10.877 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.468 21.918 -9.591 1.00 0.00 H new ATOM 553 N ALA A 38 -13.284 20.559 -8.804 1.00 0.00 N ATOM 554 CA ALA A 38 -12.139 20.752 -7.923 1.00 0.00 C ATOM 555 C ALA A 38 -10.949 19.914 -8.377 1.00 0.00 C ATOM 556 O ALA A 38 -9.851 20.434 -8.579 1.00 0.00 O ATOM 557 CB ALA A 38 -12.513 20.408 -6.489 1.00 0.00 C ATOM 0 H ALA A 38 -14.131 20.241 -8.332 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.849 21.802 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.649 20.557 -5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.327 21.054 -6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.831 19.367 -6.436 1.00 0.00 H new ATOM 563 N THR A 39 -11.173 18.613 -8.536 1.00 0.00 N ATOM 564 CA THR A 39 -10.119 17.703 -8.964 1.00 0.00 C ATOM 565 C THR A 39 -9.579 18.093 -10.335 1.00 0.00 C ATOM 566 O THR A 39 -8.368 18.078 -10.564 1.00 0.00 O ATOM 567 CB THR A 39 -10.621 16.248 -9.018 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.361 15.941 -7.831 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.457 15.279 -9.160 1.00 0.00 C ATOM 0 H THR A 39 -12.076 18.166 -8.374 1.00 0.00 H new ATOM 0 HA THR A 39 -9.319 17.777 -8.227 1.00 0.00 H new ATOM 0 HB THR A 39 -11.269 16.143 -9.888 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.678 15.015 -7.874 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.836 14.258 -9.196 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.913 15.497 -10.079 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.787 15.387 -8.307 1.00 0.00 H new ATOM 577 N LEU A 40 -10.482 18.444 -11.244 1.00 0.00 N ATOM 578 CA LEU A 40 -10.096 18.839 -12.593 1.00 0.00 C ATOM 579 C LEU A 40 -9.023 19.923 -12.557 1.00 0.00 C ATOM 580 O LEU A 40 -8.164 19.988 -13.436 1.00 0.00 O ATOM 581 CB LEU A 40 -11.316 19.340 -13.368 1.00 0.00 C ATOM 582 CG LEU A 40 -12.147 18.269 -14.077 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.435 18.867 -14.621 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.342 17.623 -15.195 1.00 0.00 C ATOM 0 H LEU A 40 -11.487 18.463 -11.071 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.686 17.964 -13.098 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.965 19.877 -12.676 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.978 20.061 -14.112 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.407 17.498 -13.352 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.013 18.091 -15.122 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.019 19.281 -13.799 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.197 19.658 -15.332 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.949 16.864 -15.688 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.052 18.383 -15.920 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.448 17.159 -14.778 1.00 0.00 H new ATOM 596 N GLN A 41 -9.077 20.769 -11.533 1.00 0.00 N ATOM 597 CA GLN A 41 -8.109 21.848 -11.382 1.00 0.00 C ATOM 598 C GLN A 41 -6.885 21.376 -10.605 1.00 0.00 C ATOM 599 O GLN A 41 -5.758 21.777 -10.899 1.00 0.00 O ATOM 600 CB GLN A 41 -8.750 23.041 -10.672 1.00 0.00 C ATOM 601 CG GLN A 41 -9.815 23.742 -11.500 1.00 0.00 C ATOM 602 CD GLN A 41 -10.592 24.770 -10.702 1.00 0.00 C ATOM 603 OE1 GLN A 41 -10.080 25.845 -10.387 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.836 24.446 -10.370 1.00 0.00 N ATOM 0 H GLN A 41 -9.781 20.728 -10.796 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.788 22.156 -12.377 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.195 22.701 -9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.972 23.759 -10.412 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.344 24.230 -12.353 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.506 23.000 -11.900 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.221 23.544 -10.652 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.407 25.099 -9.833 1.00 0.00 H new ATOM 613 N ILE A 42 -7.113 20.523 -9.612 1.00 0.00 N ATOM 614 CA ILE A 42 -6.028 19.996 -8.794 1.00 0.00 C ATOM 615 C ILE A 42 -5.040 19.198 -9.638 1.00 0.00 C ATOM 616 O ILE A 42 -3.830 19.270 -9.427 1.00 0.00 O ATOM 617 CB ILE A 42 -6.562 19.098 -7.662 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.344 19.933 -6.645 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.415 18.364 -6.983 1.00 0.00 C ATOM 620 CD1 ILE A 42 -8.347 19.129 -5.848 1.00 0.00 C ATOM 0 H ILE A 42 -8.039 20.182 -9.355 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.517 20.854 -8.356 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.237 18.358 -8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.642 20.406 -5.959 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.866 20.734 -7.169 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.808 17.734 -6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.897 17.743 -7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.718 19.089 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.864 19.784 -5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.072 18.677 -6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.829 18.345 -5.296 1.00 0.00 H new ATOM 632 N GLU A 43 -5.566 18.439 -10.594 1.00 0.00 N ATOM 633 CA GLU A 43 -4.729 17.628 -11.471 1.00 0.00 C ATOM 634 C GLU A 43 -3.697 18.491 -12.190 1.00 0.00 C ATOM 635 O GLU A 43 -2.498 18.221 -12.131 1.00 0.00 O ATOM 636 CB GLU A 43 -5.592 16.887 -12.494 1.00 0.00 C ATOM 637 CG GLU A 43 -6.063 15.522 -12.019 1.00 0.00 C ATOM 638 CD GLU A 43 -6.870 14.785 -13.070 1.00 0.00 C ATOM 639 OE1 GLU A 43 -6.312 14.490 -14.148 1.00 0.00 O ATOM 640 OE2 GLU A 43 -8.059 14.504 -12.815 1.00 0.00 O ATOM 0 H GLU A 43 -6.566 18.369 -10.781 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.202 16.899 -10.855 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.462 17.499 -12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.024 16.765 -13.416 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.198 14.919 -11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.668 15.643 -11.120 1.00 0.00 H new ATOM 647 N GLU A 44 -4.173 19.531 -12.868 1.00 0.00 N ATOM 648 CA GLU A 44 -3.291 20.433 -13.599 1.00 0.00 C ATOM 649 C GLU A 44 -2.384 21.202 -12.643 1.00 0.00 C ATOM 650 O GLU A 44 -1.225 21.478 -12.955 1.00 0.00 O ATOM 651 CB GLU A 44 -4.112 21.414 -14.440 1.00 0.00 C ATOM 652 CG GLU A 44 -4.984 20.738 -15.485 1.00 0.00 C ATOM 653 CD GLU A 44 -5.275 21.637 -16.671 1.00 0.00 C ATOM 654 OE1 GLU A 44 -6.057 22.597 -16.510 1.00 0.00 O ATOM 655 OE2 GLU A 44 -4.721 21.380 -17.760 1.00 0.00 O ATOM 0 H GLU A 44 -5.163 19.769 -12.926 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.666 19.832 -14.260 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.745 22.006 -13.778 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.435 22.108 -14.938 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.490 19.831 -15.834 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.924 20.432 -15.026 1.00 0.00 H new ATOM 662 N LEU A 45 -2.920 21.545 -11.477 1.00 0.00 N ATOM 663 CA LEU A 45 -2.160 22.283 -10.473 1.00 0.00 C ATOM 664 C LEU A 45 -0.949 21.479 -10.008 1.00 0.00 C ATOM 665 O LEU A 45 -0.035 22.020 -9.386 1.00 0.00 O ATOM 666 CB LEU A 45 -3.051 22.622 -9.277 1.00 0.00 C ATOM 667 CG LEU A 45 -2.332 22.854 -7.948 1.00 0.00 C ATOM 668 CD1 LEU A 45 -1.418 24.066 -8.041 1.00 0.00 C ATOM 669 CD2 LEU A 45 -3.338 23.028 -6.820 1.00 0.00 C ATOM 0 H LEU A 45 -3.877 21.324 -11.203 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.807 23.208 -10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.623 23.518 -9.518 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.768 21.812 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.720 21.978 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.914 24.216 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.675 23.902 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.009 24.950 -8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.808 23.192 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.976 23.886 -7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.951 22.131 -6.738 1.00 0.00 H new ATOM 681 N TRP A 46 -0.950 20.187 -10.315 1.00 0.00 N ATOM 682 CA TRP A 46 0.149 19.310 -9.929 1.00 0.00 C ATOM 683 C TRP A 46 1.226 19.281 -11.008 1.00 0.00 C ATOM 684 O TRP A 46 2.416 19.175 -10.710 1.00 0.00 O ATOM 685 CB TRP A 46 -0.368 17.894 -9.669 1.00 0.00 C ATOM 686 CG TRP A 46 0.705 16.850 -9.727 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.948 15.979 -10.751 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.679 16.566 -8.717 1.00 0.00 C ATOM 689 NE1 TRP A 46 2.014 15.171 -10.438 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.481 15.511 -9.196 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.954 17.101 -7.455 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.536 14.983 -8.456 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.001 16.575 -6.722 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.782 15.526 -7.225 1.00 0.00 C ATOM 0 H TRP A 46 -1.699 19.724 -10.830 1.00 0.00 H new ATOM 0 HA TRP A 46 0.589 19.702 -9.012 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.843 17.863 -8.688 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.137 17.655 -10.403 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.385 15.932 -11.671 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.396 14.437 -11.034 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.359 17.911 -7.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.139 14.173 -8.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.221 16.979 -5.745 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.595 15.138 -6.629 1.00 0.00 H new ATOM 705 N LYS A 47 0.802 19.375 -12.264 1.00 0.00 N ATOM 706 CA LYS A 47 1.730 19.361 -13.389 1.00 0.00 C ATOM 707 C LYS A 47 2.483 20.684 -13.489 1.00 0.00 C ATOM 708 O LYS A 47 3.581 20.746 -14.044 1.00 0.00 O ATOM 709 CB LYS A 47 0.978 19.089 -14.694 1.00 0.00 C ATOM 710 CG LYS A 47 0.192 17.790 -14.683 1.00 0.00 C ATOM 711 CD LYS A 47 -0.873 17.774 -15.766 1.00 0.00 C ATOM 712 CE LYS A 47 -2.070 16.929 -15.359 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.809 16.406 -16.542 1.00 0.00 N ATOM 0 H LYS A 47 -0.179 19.462 -12.529 1.00 0.00 H new ATOM 0 HA LYS A 47 2.454 18.563 -13.221 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.295 19.916 -14.889 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.692 19.065 -15.517 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.872 16.951 -14.828 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.277 17.656 -13.708 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.199 18.793 -15.972 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.448 17.383 -16.690 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.733 16.095 -14.744 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.744 17.526 -14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.617 15.835 -16.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.153 17.202 -17.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.173 15.815 -17.115 1.00 0.00 H new ATOM 727 N THR A 48 1.886 21.742 -12.948 1.00 0.00 N ATOM 728 CA THR A 48 2.500 23.063 -12.977 1.00 0.00 C ATOM 729 C THR A 48 3.480 23.239 -11.822 1.00 0.00 C ATOM 730 O THR A 48 3.864 24.360 -11.486 1.00 0.00 O ATOM 731 CB THR A 48 1.439 24.178 -12.909 1.00 0.00 C ATOM 732 OG1 THR A 48 2.067 25.460 -13.020 1.00 0.00 O ATOM 733 CG2 THR A 48 0.658 24.102 -11.605 1.00 0.00 C ATOM 0 H THR A 48 0.978 21.709 -12.485 1.00 0.00 H new ATOM 0 HA THR A 48 3.038 23.141 -13.922 1.00 0.00 H new ATOM 0 HB THR A 48 0.746 24.041 -13.739 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.909 25.456 -12.518 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.085 24.899 -11.579 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.157 23.136 -11.537 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.342 24.216 -10.764 1.00 0.00 H new ATOM 741 N LEU A 49 3.883 22.126 -11.219 1.00 0.00 N ATOM 742 CA LEU A 49 4.820 22.158 -10.102 1.00 0.00 C ATOM 743 C LEU A 49 6.255 21.988 -10.590 1.00 0.00 C ATOM 744 O LEU A 49 6.497 21.779 -11.779 1.00 0.00 O ATOM 745 CB LEU A 49 4.479 21.059 -9.093 1.00 0.00 C ATOM 746 CG LEU A 49 3.366 21.385 -8.097 1.00 0.00 C ATOM 747 CD1 LEU A 49 3.032 20.165 -7.252 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.768 22.555 -7.212 1.00 0.00 C ATOM 0 H LEU A 49 3.576 21.190 -11.485 1.00 0.00 H new ATOM 0 HA LEU A 49 4.734 23.129 -9.615 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.195 20.163 -9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.381 20.816 -8.532 1.00 0.00 H new ATOM 0 HG LEU A 49 2.475 21.669 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.238 20.416 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.700 19.354 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.918 19.850 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.964 22.773 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.673 22.300 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.956 23.432 -7.831 1.00 0.00 H new ATOM 760 N SER A 50 7.204 22.077 -9.663 1.00 0.00 N ATOM 761 CA SER A 50 8.616 21.935 -9.999 1.00 0.00 C ATOM 762 C SER A 50 9.087 20.501 -9.773 1.00 0.00 C ATOM 763 O SER A 50 8.759 19.882 -8.762 1.00 0.00 O ATOM 764 CB SER A 50 9.461 22.899 -9.164 1.00 0.00 C ATOM 765 OG SER A 50 10.650 23.257 -9.846 1.00 0.00 O ATOM 0 H SER A 50 7.021 22.247 -8.674 1.00 0.00 H new ATOM 0 HA SER A 50 8.739 22.177 -11.055 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.882 23.795 -8.941 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.711 22.435 -8.210 1.00 0.00 H new ATOM 0 HG SER A 50 11.171 23.875 -9.292 1.00 0.00 H new ATOM 771 N GLU A 51 9.857 19.981 -10.724 1.00 0.00 N ATOM 772 CA GLU A 51 10.372 18.620 -10.629 1.00 0.00 C ATOM 773 C GLU A 51 10.700 18.262 -9.182 1.00 0.00 C ATOM 774 O GLU A 51 10.025 17.435 -8.569 1.00 0.00 O ATOM 775 CB GLU A 51 11.620 18.462 -11.500 1.00 0.00 C ATOM 776 CG GLU A 51 11.816 17.052 -12.033 1.00 0.00 C ATOM 777 CD GLU A 51 10.732 16.643 -13.011 1.00 0.00 C ATOM 778 OE1 GLU A 51 9.707 16.087 -12.563 1.00 0.00 O ATOM 779 OE2 GLU A 51 10.908 16.878 -14.225 1.00 0.00 O ATOM 0 H GLU A 51 10.137 20.481 -11.568 1.00 0.00 H new ATOM 0 HA GLU A 51 9.599 17.940 -10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.556 19.153 -12.340 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.497 18.747 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.787 16.985 -12.523 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.831 16.351 -11.199 1.00 0.00 H new ATOM 786 N GLU A 52 11.740 18.891 -8.644 1.00 0.00 N ATOM 787 CA GLU A 52 12.157 18.637 -7.270 1.00 0.00 C ATOM 788 C GLU A 52 10.963 18.683 -6.321 1.00 0.00 C ATOM 789 O GLU A 52 10.930 17.976 -5.314 1.00 0.00 O ATOM 790 CB GLU A 52 13.207 19.662 -6.835 1.00 0.00 C ATOM 791 CG GLU A 52 12.704 21.095 -6.855 1.00 0.00 C ATOM 792 CD GLU A 52 13.758 22.090 -6.409 1.00 0.00 C ATOM 793 OE1 GLU A 52 14.368 21.871 -5.342 1.00 0.00 O ATOM 794 OE2 GLU A 52 13.974 23.087 -7.129 1.00 0.00 O ATOM 0 H GLU A 52 12.308 19.579 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 52 12.594 17.639 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.545 19.418 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.074 19.581 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.376 21.347 -7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.832 21.179 -6.206 1.00 0.00 H new ATOM 801 N GLU A 53 9.985 19.520 -6.650 1.00 0.00 N ATOM 802 CA GLU A 53 8.789 19.659 -5.827 1.00 0.00 C ATOM 803 C GLU A 53 7.957 18.381 -5.856 1.00 0.00 C ATOM 804 O GLU A 53 7.327 18.012 -4.864 1.00 0.00 O ATOM 805 CB GLU A 53 7.946 20.841 -6.308 1.00 0.00 C ATOM 806 CG GLU A 53 7.009 21.393 -5.247 1.00 0.00 C ATOM 807 CD GLU A 53 6.565 22.813 -5.542 1.00 0.00 C ATOM 808 OE1 GLU A 53 7.167 23.450 -6.431 1.00 0.00 O ATOM 809 OE2 GLU A 53 5.615 23.286 -4.884 1.00 0.00 O ATOM 0 H GLU A 53 9.997 20.112 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 53 9.105 19.842 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.610 21.637 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.359 20.530 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.132 20.750 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.507 21.366 -4.278 1.00 0.00 H new ATOM 816 N LYS A 54 7.957 17.708 -7.002 1.00 0.00 N ATOM 817 CA LYS A 54 7.204 16.470 -7.163 1.00 0.00 C ATOM 818 C LYS A 54 8.012 15.273 -6.672 1.00 0.00 C ATOM 819 O LYS A 54 7.454 14.217 -6.370 1.00 0.00 O ATOM 820 CB LYS A 54 6.818 16.271 -8.631 1.00 0.00 C ATOM 821 CG LYS A 54 6.161 17.489 -9.258 1.00 0.00 C ATOM 822 CD LYS A 54 5.993 17.321 -10.759 1.00 0.00 C ATOM 823 CE LYS A 54 4.860 16.363 -11.089 1.00 0.00 C ATOM 824 NZ LYS A 54 4.983 15.812 -12.467 1.00 0.00 N ATOM 0 H LYS A 54 8.471 18.000 -7.834 1.00 0.00 H new ATOM 0 HA LYS A 54 6.298 16.545 -6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.711 16.016 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.138 15.422 -8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.187 17.655 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.764 18.374 -9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.795 18.291 -11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.922 16.950 -11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.856 15.544 -10.370 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.906 16.881 -10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.192 15.163 -12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.962 16.591 -13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.882 15.296 -12.556 1.00 0.00 H new ATOM 838 N LEU A 55 9.326 15.445 -6.594 1.00 0.00 N ATOM 839 CA LEU A 55 10.211 14.379 -6.137 1.00 0.00 C ATOM 840 C LEU A 55 9.899 13.992 -4.696 1.00 0.00 C ATOM 841 O LEU A 55 9.719 12.815 -4.382 1.00 0.00 O ATOM 842 CB LEU A 55 11.672 14.817 -6.255 1.00 0.00 C ATOM 843 CG LEU A 55 12.355 14.525 -7.592 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.530 13.026 -7.786 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.557 15.124 -8.740 1.00 0.00 C ATOM 0 H LEU A 55 9.803 16.312 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 55 10.047 13.508 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.725 15.890 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.242 14.329 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 55 13.342 14.987 -7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.018 12.837 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.144 12.624 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.554 12.541 -7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.058 14.907 -9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.556 14.692 -8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.484 16.204 -8.608 1.00 0.00 H new ATOM 857 N LYS A 56 9.834 14.990 -3.821 1.00 0.00 N ATOM 858 CA LYS A 56 9.540 14.756 -2.412 1.00 0.00 C ATOM 859 C LYS A 56 8.348 13.817 -2.254 1.00 0.00 C ATOM 860 O LYS A 56 8.272 13.051 -1.293 1.00 0.00 O ATOM 861 CB LYS A 56 9.255 16.081 -1.703 1.00 0.00 C ATOM 862 CG LYS A 56 8.218 16.938 -2.407 1.00 0.00 C ATOM 863 CD LYS A 56 7.550 17.908 -1.447 1.00 0.00 C ATOM 864 CE LYS A 56 6.578 17.194 -0.520 1.00 0.00 C ATOM 865 NZ LYS A 56 7.254 16.682 0.704 1.00 0.00 N ATOM 0 H LYS A 56 9.981 15.970 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 56 10.413 14.287 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.915 15.874 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.184 16.645 -1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.693 17.494 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.463 16.297 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.310 18.418 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.019 18.674 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.779 17.878 -0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.112 16.364 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.386 15.654 0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.181 17.143 0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.668 16.892 1.537 1.00 0.00 H new ATOM 879 N TYR A 57 7.422 13.879 -3.204 1.00 0.00 N ATOM 880 CA TYR A 57 6.234 13.034 -3.169 1.00 0.00 C ATOM 881 C TYR A 57 6.534 11.648 -3.732 1.00 0.00 C ATOM 882 O TYR A 57 6.284 10.635 -3.080 1.00 0.00 O ATOM 883 CB TYR A 57 5.097 13.683 -3.961 1.00 0.00 C ATOM 884 CG TYR A 57 4.220 14.590 -3.129 1.00 0.00 C ATOM 885 CD1 TYR A 57 4.532 15.935 -2.968 1.00 0.00 C ATOM 886 CD2 TYR A 57 3.079 14.103 -2.502 1.00 0.00 C ATOM 887 CE1 TYR A 57 3.734 16.767 -2.208 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.275 14.929 -1.741 1.00 0.00 C ATOM 889 CZ TYR A 57 2.606 16.260 -1.597 1.00 0.00 C ATOM 890 OH TYR A 57 1.807 17.085 -0.838 1.00 0.00 O ATOM 0 H TYR A 57 7.471 14.505 -4.008 1.00 0.00 H new ATOM 0 HA TYR A 57 5.928 12.925 -2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.521 14.257 -4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.480 12.900 -4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.414 16.336 -3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.817 13.061 -2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.992 17.809 -2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.392 14.534 -1.261 1.00 0.00 H new ATOM 0 HH TYR A 57 1.053 16.571 -0.479 1.00 0.00 H new ATOM 900 N GLU A 58 7.072 11.614 -4.947 1.00 0.00 N ATOM 901 CA GLU A 58 7.407 10.352 -5.597 1.00 0.00 C ATOM 902 C GLU A 58 7.927 9.338 -4.583 1.00 0.00 C ATOM 903 O GLU A 58 7.422 8.219 -4.495 1.00 0.00 O ATOM 904 CB GLU A 58 8.452 10.579 -6.691 1.00 0.00 C ATOM 905 CG GLU A 58 7.879 11.169 -7.969 1.00 0.00 C ATOM 906 CD GLU A 58 7.341 10.109 -8.910 1.00 0.00 C ATOM 907 OE1 GLU A 58 8.155 9.438 -9.578 1.00 0.00 O ATOM 908 OE2 GLU A 58 6.104 9.951 -8.979 1.00 0.00 O ATOM 0 H GLU A 58 7.285 12.444 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 58 6.499 9.953 -6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.226 11.244 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.934 9.629 -6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.079 11.865 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.653 11.743 -8.479 1.00 0.00 H new ATOM 915 N GLU A 59 8.940 9.738 -3.821 1.00 0.00 N ATOM 916 CA GLU A 59 9.530 8.863 -2.815 1.00 0.00 C ATOM 917 C GLU A 59 8.452 8.059 -2.093 1.00 0.00 C ATOM 918 O GLU A 59 8.598 6.857 -1.876 1.00 0.00 O ATOM 919 CB GLU A 59 10.334 9.682 -1.803 1.00 0.00 C ATOM 920 CG GLU A 59 11.749 9.995 -2.259 1.00 0.00 C ATOM 921 CD GLU A 59 12.542 10.762 -1.219 1.00 0.00 C ATOM 922 OE1 GLU A 59 12.749 10.221 -0.113 1.00 0.00 O ATOM 923 OE2 GLU A 59 12.955 11.903 -1.512 1.00 0.00 O ATOM 0 H GLU A 59 9.369 10.662 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 59 10.199 8.168 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.810 10.617 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.378 9.137 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.266 9.064 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.709 10.575 -3.181 1.00 0.00 H new ATOM 930 N LYS A 60 7.368 8.734 -1.724 1.00 0.00 N ATOM 931 CA LYS A 60 6.263 8.085 -1.027 1.00 0.00 C ATOM 932 C LYS A 60 5.608 7.028 -1.911 1.00 0.00 C ATOM 933 O LYS A 60 5.192 5.975 -1.430 1.00 0.00 O ATOM 934 CB LYS A 60 5.224 9.122 -0.599 1.00 0.00 C ATOM 935 CG LYS A 60 5.615 9.897 0.648 1.00 0.00 C ATOM 936 CD LYS A 60 4.860 11.212 0.748 1.00 0.00 C ATOM 937 CE LYS A 60 3.501 11.025 1.405 1.00 0.00 C ATOM 938 NZ LYS A 60 3.588 11.104 2.890 1.00 0.00 N ATOM 0 H LYS A 60 7.231 9.730 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 60 6.664 7.594 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.065 9.824 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.273 8.619 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.412 9.292 1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.687 10.092 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.448 11.928 1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.729 11.634 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.813 11.788 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.088 10.059 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.642 10.972 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.225 10.360 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.958 12.035 3.167 1.00 0.00 H new ATOM 952 N ALA A 61 5.523 7.317 -3.206 1.00 0.00 N ATOM 953 CA ALA A 61 4.922 6.390 -4.157 1.00 0.00 C ATOM 954 C ALA A 61 5.891 5.270 -4.519 1.00 0.00 C ATOM 955 O ALA A 61 5.622 4.095 -4.266 1.00 0.00 O ATOM 956 CB ALA A 61 4.478 7.132 -5.409 1.00 0.00 C ATOM 0 H ALA A 61 5.863 8.185 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 61 4.048 5.940 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.031 6.427 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.744 7.892 -5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.341 7.609 -5.874 1.00 0.00 H new ATOM 962 N THR A 62 7.021 5.640 -5.114 1.00 0.00 N ATOM 963 CA THR A 62 8.030 4.667 -5.513 1.00 0.00 C ATOM 964 C THR A 62 8.296 3.663 -4.397 1.00 0.00 C ATOM 965 O THR A 62 8.396 2.460 -4.641 1.00 0.00 O ATOM 966 CB THR A 62 9.354 5.355 -5.896 1.00 0.00 C ATOM 967 OG1 THR A 62 10.289 4.384 -6.378 1.00 0.00 O ATOM 968 CG2 THR A 62 9.947 6.089 -4.703 1.00 0.00 C ATOM 0 H THR A 62 7.260 6.608 -5.330 1.00 0.00 H new ATOM 0 HA THR A 62 7.637 4.143 -6.384 1.00 0.00 H new ATOM 0 HB THR A 62 9.147 6.081 -6.683 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.127 4.830 -6.621 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.881 6.567 -4.998 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.245 6.847 -4.357 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.140 5.379 -3.899 1.00 0.00 H new ATOM 976 N LYS A 63 8.410 4.163 -3.172 1.00 0.00 N ATOM 977 CA LYS A 63 8.663 3.310 -2.017 1.00 0.00 C ATOM 978 C LYS A 63 7.575 2.251 -1.874 1.00 0.00 C ATOM 979 O LYS A 63 7.856 1.100 -1.537 1.00 0.00 O ATOM 980 CB LYS A 63 8.740 4.152 -0.741 1.00 0.00 C ATOM 981 CG LYS A 63 10.118 4.737 -0.481 1.00 0.00 C ATOM 982 CD LYS A 63 10.252 5.234 0.949 1.00 0.00 C ATOM 983 CE LYS A 63 11.636 5.807 1.212 1.00 0.00 C ATOM 984 NZ LYS A 63 12.614 4.746 1.583 1.00 0.00 N ATOM 0 H LYS A 63 8.331 5.156 -2.953 1.00 0.00 H new ATOM 0 HA LYS A 63 9.618 2.807 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.016 4.964 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.450 3.535 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.878 3.981 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.301 5.560 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.498 5.997 1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.059 4.413 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.988 6.330 0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.578 6.544 2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.545 5.177 1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.292 4.263 2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.689 4.056 0.808 1.00 0.00 H new ATOM 998 N ASP A 64 6.334 2.646 -2.134 1.00 0.00 N ATOM 999 CA ASP A 64 5.203 1.730 -2.037 1.00 0.00 C ATOM 1000 C ASP A 64 5.086 0.876 -3.295 1.00 0.00 C ATOM 1001 O ASP A 64 4.544 -0.229 -3.261 1.00 0.00 O ATOM 1002 CB ASP A 64 3.906 2.508 -1.811 1.00 0.00 C ATOM 1003 CG ASP A 64 3.657 2.805 -0.345 1.00 0.00 C ATOM 1004 OD1 ASP A 64 3.651 1.851 0.461 1.00 0.00 O ATOM 1005 OD2 ASP A 64 3.469 3.992 -0.004 1.00 0.00 O ATOM 0 H ASP A 64 6.085 3.595 -2.414 1.00 0.00 H new ATOM 0 HA ASP A 64 5.374 1.070 -1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.946 3.445 -2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.068 1.936 -2.210 1.00 0.00 H new ATOM 1010 N LEU A 65 5.597 1.396 -4.406 1.00 0.00 N ATOM 1011 CA LEU A 65 5.548 0.682 -5.677 1.00 0.00 C ATOM 1012 C LEU A 65 6.170 -0.705 -5.547 1.00 0.00 C ATOM 1013 O LEU A 65 5.865 -1.607 -6.326 1.00 0.00 O ATOM 1014 CB LEU A 65 6.277 1.480 -6.761 1.00 0.00 C ATOM 1015 CG LEU A 65 6.456 0.776 -8.106 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.190 0.891 -8.941 1.00 0.00 C ATOM 1017 CD2 LEU A 65 7.646 1.355 -8.857 1.00 0.00 C ATOM 0 H LEU A 65 6.050 2.309 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 65 4.502 0.566 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.731 2.409 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.262 1.753 -6.383 1.00 0.00 H new ATOM 0 HG LEU A 65 6.649 -0.280 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.336 0.384 -9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.359 0.429 -8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.966 1.943 -9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.758 0.842 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.483 2.418 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.551 1.220 -8.264 1.00 0.00 H new