USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 625 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 9 THR OG1 : rot 180:sc= 0.0807 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -3.74 F(o=-5.4!,f=-3.7) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -1.45 F(o=-2.4!,f=-1.4) USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.394 F(o=-0.96,f=-0.39) USER MOD Single : A 41 SER OG : rot 180:sc= -2.59! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= 0.00684 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 136:sc= 0.221 (180deg=-0.0403) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= 0.826 F(o=-0.23,f=0.83) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -170:sc= 0 (180deg=-0.0993) USER MOD Single : A 84 SER OG : rot -53:sc= 0.0987 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N GLU A 8 -6.200 18.377 -13.304 1.00 0.00 N ATOM 132 CA GLU A 8 -4.748 18.210 -13.198 1.00 0.00 C ATOM 133 C GLU A 8 -4.075 18.353 -14.567 1.00 0.00 C ATOM 134 O GLU A 8 -4.690 18.836 -15.520 1.00 0.00 O ATOM 135 CB GLU A 8 -4.409 16.845 -12.581 1.00 0.00 C ATOM 136 CG GLU A 8 -5.426 16.341 -11.561 1.00 0.00 C ATOM 137 CD GLU A 8 -6.494 15.452 -12.177 1.00 0.00 C ATOM 138 OE1 GLU A 8 -6.617 15.439 -13.421 1.00 0.00 O ATOM 139 OE2 GLU A 8 -7.209 14.770 -11.413 1.00 0.00 O ATOM 0 HA GLU A 8 -4.366 18.996 -12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.322 16.110 -13.381 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.433 16.910 -12.100 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.905 15.786 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.904 17.195 -11.081 1.00 0.00 H new ATOM 146 N THR A 9 -2.803 17.937 -14.659 1.00 0.00 N ATOM 147 CA THR A 9 -2.048 18.026 -15.906 1.00 0.00 C ATOM 148 C THR A 9 -1.333 16.706 -16.225 1.00 0.00 C ATOM 149 O THR A 9 -1.775 15.955 -17.096 1.00 0.00 O ATOM 150 CB THR A 9 -1.047 19.189 -15.835 1.00 0.00 C ATOM 151 OG1 THR A 9 -0.049 18.946 -14.855 1.00 0.00 O ATOM 152 CG2 THR A 9 -1.696 20.518 -15.505 1.00 0.00 C ATOM 0 H THR A 9 -2.280 17.536 -13.881 1.00 0.00 H new ATOM 0 HA THR A 9 -2.751 18.218 -16.716 1.00 0.00 H new ATOM 0 HB THR A 9 -0.611 19.248 -16.832 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.576 19.700 -14.831 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.934 21.296 -15.470 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.431 20.764 -16.271 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.190 20.451 -14.536 1.00 0.00 H new ATOM 160 N ASP A 10 -0.232 16.425 -15.517 1.00 0.00 N ATOM 161 CA ASP A 10 0.534 15.192 -15.729 1.00 0.00 C ATOM 162 C ASP A 10 0.263 14.197 -14.602 1.00 0.00 C ATOM 163 O ASP A 10 0.729 14.384 -13.475 1.00 0.00 O ATOM 164 CB ASP A 10 2.036 15.497 -15.809 1.00 0.00 C ATOM 165 CG ASP A 10 2.374 16.478 -16.915 1.00 0.00 C ATOM 166 OD1 ASP A 10 2.394 17.697 -16.643 1.00 0.00 O ATOM 167 OD2 ASP A 10 2.618 16.028 -18.055 1.00 0.00 O ATOM 0 H ASP A 10 0.148 17.035 -14.793 1.00 0.00 H new ATOM 0 HA ASP A 10 0.216 14.751 -16.674 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.372 15.902 -14.854 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.583 14.569 -15.972 1.00 0.00 H new ATOM 172 N CYS A 11 -0.509 13.152 -14.907 1.00 0.00 N ATOM 173 CA CYS A 11 -0.864 12.136 -13.914 1.00 0.00 C ATOM 174 C CYS A 11 -0.210 10.792 -14.222 1.00 0.00 C ATOM 175 O CYS A 11 0.469 10.223 -13.366 1.00 0.00 O ATOM 176 CB CYS A 11 -2.385 11.984 -13.849 1.00 0.00 C ATOM 177 SG CYS A 11 -3.273 13.541 -13.519 1.00 0.00 S ATOM 0 H CYS A 11 -0.901 12.987 -15.834 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.490 12.467 -12.945 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.739 11.569 -14.793 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.635 11.263 -13.070 1.00 0.00 H new ATOM 182 N SER A 12 -0.406 10.287 -15.446 1.00 0.00 N ATOM 183 CA SER A 12 0.187 9.007 -15.846 1.00 0.00 C ATOM 184 C SER A 12 1.700 9.036 -15.663 1.00 0.00 C ATOM 185 O SER A 12 2.319 8.011 -15.384 1.00 0.00 O ATOM 186 CB SER A 12 -0.138 8.676 -17.300 1.00 0.00 C ATOM 187 OG SER A 12 -1.516 8.396 -17.470 1.00 0.00 O ATOM 0 H SER A 12 -0.965 10.740 -16.169 1.00 0.00 H new ATOM 0 HA SER A 12 -0.242 8.236 -15.206 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.146 9.513 -17.938 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.452 7.817 -17.620 1.00 0.00 H new ATOM 0 HG SER A 12 -1.694 8.189 -18.411 1.00 0.00 H new ATOM 193 N GLU A 13 2.285 10.227 -15.812 1.00 0.00 N ATOM 194 CA GLU A 13 3.720 10.410 -15.653 1.00 0.00 C ATOM 195 C GLU A 13 4.138 10.055 -14.235 1.00 0.00 C ATOM 196 O GLU A 13 5.100 9.318 -14.034 1.00 0.00 O ATOM 197 CB GLU A 13 4.116 11.847 -15.978 1.00 0.00 C ATOM 198 CG GLU A 13 5.482 11.968 -16.621 1.00 0.00 C ATOM 199 CD GLU A 13 5.818 13.389 -17.032 1.00 0.00 C ATOM 200 OE1 GLU A 13 6.394 14.127 -16.207 1.00 0.00 O ATOM 201 OE2 GLU A 13 5.503 13.765 -18.182 1.00 0.00 O ATOM 0 H GLU A 13 1.778 11.081 -16.044 1.00 0.00 H new ATOM 0 HA GLU A 13 4.234 9.746 -16.348 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.370 12.279 -16.645 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.102 12.435 -15.061 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.239 11.608 -15.924 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.523 11.322 -17.498 1.00 0.00 H new ATOM 208 N ILE A 14 3.383 10.553 -13.254 1.00 0.00 N ATOM 209 CA ILE A 14 3.662 10.247 -11.853 1.00 0.00 C ATOM 210 C ILE A 14 3.725 8.753 -11.698 1.00 0.00 C ATOM 211 O ILE A 14 4.666 8.233 -11.098 1.00 0.00 O ATOM 212 CB ILE A 14 2.610 10.837 -10.878 1.00 0.00 C ATOM 213 CG1 ILE A 14 2.846 12.346 -10.692 1.00 0.00 C ATOM 214 CG2 ILE A 14 2.656 10.103 -9.535 1.00 0.00 C ATOM 215 CD1 ILE A 14 2.059 12.970 -9.553 1.00 0.00 C ATOM 0 H ILE A 14 2.581 11.165 -13.403 1.00 0.00 H new ATOM 0 HA ILE A 14 4.613 10.711 -11.592 1.00 0.00 H new ATOM 0 HB ILE A 14 1.616 10.698 -11.304 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.909 12.516 -10.519 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.588 12.858 -11.619 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.912 10.529 -8.862 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.442 9.046 -9.691 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.647 10.211 -9.095 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.286 14.035 -9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.992 12.836 -9.731 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.333 12.488 -8.614 1.00 0.00 H new ATOM 227 N LEU A 15 2.765 8.046 -12.295 1.00 0.00 N ATOM 228 CA LEU A 15 2.795 6.603 -12.254 1.00 0.00 C ATOM 229 C LEU A 15 4.073 6.175 -12.950 1.00 0.00 C ATOM 230 O LEU A 15 4.883 5.446 -12.377 1.00 0.00 O ATOM 231 CB LEU A 15 1.553 5.999 -12.929 1.00 0.00 C ATOM 232 CG LEU A 15 0.241 6.778 -12.722 1.00 0.00 C ATOM 233 CD1 LEU A 15 -0.923 6.059 -13.392 1.00 0.00 C ATOM 234 CD2 LEU A 15 -0.043 6.993 -11.237 1.00 0.00 C ATOM 0 H LEU A 15 1.976 8.449 -12.801 1.00 0.00 H new ATOM 0 HA LEU A 15 2.780 6.243 -11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.744 5.922 -13.999 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.415 4.984 -12.556 1.00 0.00 H new ATOM 0 HG LEU A 15 0.356 7.757 -13.188 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.840 6.626 -13.234 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.730 5.972 -14.461 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.033 5.064 -12.961 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.975 7.546 -11.121 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.129 6.027 -10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.773 7.560 -10.789 1.00 0.00 H new ATOM 246 N ASP A 16 4.249 6.636 -14.201 1.00 0.00 N ATOM 247 CA ASP A 16 5.439 6.311 -14.988 1.00 0.00 C ATOM 248 C ASP A 16 6.706 6.326 -14.135 1.00 0.00 C ATOM 249 O ASP A 16 7.607 5.521 -14.378 1.00 0.00 O ATOM 250 CB ASP A 16 5.578 7.278 -16.166 1.00 0.00 C ATOM 251 CG ASP A 16 6.536 6.774 -17.229 1.00 0.00 C ATOM 252 OD1 ASP A 16 7.729 7.144 -17.178 1.00 0.00 O ATOM 253 OD2 ASP A 16 6.094 6.009 -18.113 1.00 0.00 O ATOM 0 H ASP A 16 3.579 7.234 -14.684 1.00 0.00 H new ATOM 0 HA ASP A 16 5.313 5.298 -15.371 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.598 7.441 -16.614 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.925 8.244 -15.799 1.00 0.00 H new ATOM 258 N HIS A 17 6.772 7.174 -13.089 1.00 0.00 N ATOM 259 CA HIS A 17 7.932 7.148 -12.212 1.00 0.00 C ATOM 260 C HIS A 17 7.743 5.974 -11.266 1.00 0.00 C ATOM 261 O HIS A 17 8.553 5.056 -11.234 1.00 0.00 O ATOM 262 CB HIS A 17 8.122 8.429 -11.367 1.00 0.00 C ATOM 263 CG HIS A 17 7.564 9.698 -11.932 1.00 0.00 C ATOM 264 ND1 HIS A 17 7.441 10.152 -13.201 1.00 0.00 N flip ATOM 265 CD2 HIS A 17 7.098 10.710 -11.120 1.00 0.00 C flip ATOM 266 CE1 HIS A 17 6.913 11.419 -13.129 1.00 0.00 C flip ATOM 267 NE2 HIS A 17 6.715 11.729 -11.860 1.00 0.00 N flip ATOM 0 H HIS A 17 6.056 7.859 -12.846 1.00 0.00 H new ATOM 0 HA HIS A 17 8.819 7.066 -12.840 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.667 8.263 -10.391 1.00 0.00 H new ATOM 0 HB3 HIS A 17 9.190 8.571 -11.201 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.054 10.672 -10.042 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.695 12.057 -13.973 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.331 12.608 -11.513 1.00 0.00 H new ATOM 276 N LEU A 18 6.647 6.018 -10.499 1.00 0.00 N ATOM 277 CA LEU A 18 6.324 4.960 -9.531 1.00 0.00 C ATOM 278 C LEU A 18 6.703 3.565 -10.040 1.00 0.00 C ATOM 279 O LEU A 18 7.012 2.689 -9.242 1.00 0.00 O ATOM 280 CB LEU A 18 4.824 4.967 -9.199 1.00 0.00 C ATOM 281 CG LEU A 18 4.398 5.885 -8.048 1.00 0.00 C ATOM 282 CD1 LEU A 18 4.378 7.335 -8.504 1.00 0.00 C ATOM 283 CD2 LEU A 18 3.029 5.472 -7.519 1.00 0.00 C ATOM 0 H LEU A 18 5.966 6.777 -10.529 1.00 0.00 H new ATOM 0 HA LEU A 18 6.911 5.174 -8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.275 5.260 -10.094 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.520 3.948 -8.957 1.00 0.00 H new ATOM 0 HG LEU A 18 5.124 5.789 -7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.073 7.973 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.374 7.625 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.672 7.448 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.740 6.133 -6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.293 5.542 -8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.074 4.445 -7.156 1.00 0.00 H new ATOM 295 N TYR A 19 6.666 3.362 -11.363 1.00 0.00 N ATOM 296 CA TYR A 19 7.001 2.066 -11.959 1.00 0.00 C ATOM 297 C TYR A 19 8.510 1.929 -12.213 1.00 0.00 C ATOM 298 O TYR A 19 9.178 1.109 -11.583 1.00 0.00 O ATOM 299 CB TYR A 19 6.213 1.876 -13.266 1.00 0.00 C ATOM 300 CG TYR A 19 6.158 0.444 -13.762 1.00 0.00 C ATOM 301 CD1 TYR A 19 4.978 -0.303 -13.707 1.00 0.00 C ATOM 302 CD2 TYR A 19 7.291 -0.161 -14.291 1.00 0.00 C ATOM 303 CE1 TYR A 19 4.944 -1.607 -14.166 1.00 0.00 C ATOM 304 CE2 TYR A 19 7.263 -1.462 -14.750 1.00 0.00 C ATOM 305 CZ TYR A 19 6.087 -2.182 -14.685 1.00 0.00 C ATOM 306 OH TYR A 19 6.053 -3.479 -15.143 1.00 0.00 O ATOM 0 H TYR A 19 6.407 4.080 -12.040 1.00 0.00 H new ATOM 0 HA TYR A 19 6.721 1.285 -11.252 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.195 2.236 -13.118 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.661 2.499 -14.040 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.082 0.143 -13.301 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.213 0.399 -14.344 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.026 -2.174 -14.119 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.155 -1.914 -15.157 1.00 0.00 H new ATOM 0 HH TYR A 19 6.939 -3.731 -15.477 1.00 0.00 H new ATOM 316 N GLU A 20 9.037 2.715 -13.151 1.00 0.00 N ATOM 317 CA GLU A 20 10.468 2.658 -13.494 1.00 0.00 C ATOM 318 C GLU A 20 11.345 3.192 -12.359 1.00 0.00 C ATOM 319 O GLU A 20 12.496 2.787 -12.201 1.00 0.00 O ATOM 320 CB GLU A 20 10.745 3.465 -14.766 1.00 0.00 C ATOM 321 CG GLU A 20 9.762 3.195 -15.895 1.00 0.00 C ATOM 322 CD GLU A 20 10.164 3.863 -17.196 1.00 0.00 C ATOM 323 OE1 GLU A 20 9.764 5.027 -17.415 1.00 0.00 O ATOM 324 OE2 GLU A 20 10.879 3.225 -17.996 1.00 0.00 O ATOM 0 H GLU A 20 8.502 3.398 -13.688 1.00 0.00 H new ATOM 0 HA GLU A 20 10.718 1.610 -13.659 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.721 4.527 -14.523 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.753 3.241 -15.114 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.684 2.119 -16.053 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.773 3.547 -15.602 1.00 0.00 H new ATOM 331 N PHE A 21 10.787 4.110 -11.583 1.00 0.00 N ATOM 332 CA PHE A 21 11.480 4.734 -10.460 1.00 0.00 C ATOM 333 C PHE A 21 11.718 3.736 -9.334 1.00 0.00 C ATOM 334 O PHE A 21 12.833 3.578 -8.841 1.00 0.00 O ATOM 335 CB PHE A 21 10.624 5.896 -9.928 1.00 0.00 C ATOM 336 CG PHE A 21 11.385 6.946 -9.183 1.00 0.00 C ATOM 337 CD1 PHE A 21 12.129 6.620 -8.066 1.00 0.00 C ATOM 338 CD2 PHE A 21 11.351 8.261 -9.604 1.00 0.00 C ATOM 339 CE1 PHE A 21 12.835 7.593 -7.383 1.00 0.00 C ATOM 340 CE2 PHE A 21 12.049 9.238 -8.929 1.00 0.00 C ATOM 341 CZ PHE A 21 12.796 8.904 -7.817 1.00 0.00 C ATOM 0 H PHE A 21 9.833 4.447 -11.714 1.00 0.00 H new ATOM 0 HA PHE A 21 12.447 5.096 -10.809 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.112 6.366 -10.768 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.854 5.491 -9.271 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.160 5.596 -7.723 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.769 8.527 -10.474 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.416 7.329 -6.512 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.012 10.263 -9.269 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.349 9.666 -7.288 1.00 0.00 H new ATOM 351 N LEU A 22 10.640 3.095 -8.924 1.00 0.00 N ATOM 352 CA LEU A 22 10.713 2.140 -7.827 1.00 0.00 C ATOM 353 C LEU A 22 11.421 0.844 -8.248 1.00 0.00 C ATOM 354 O LEU A 22 12.213 0.299 -7.479 1.00 0.00 O ATOM 355 CB LEU A 22 9.321 1.916 -7.201 1.00 0.00 C ATOM 356 CG LEU A 22 8.606 0.600 -7.519 1.00 0.00 C ATOM 357 CD1 LEU A 22 7.330 0.493 -6.685 1.00 0.00 C ATOM 358 CD2 LEU A 22 8.283 0.502 -9.000 1.00 0.00 C ATOM 0 H LEU A 22 9.711 3.214 -9.327 1.00 0.00 H new ATOM 0 HA LEU A 22 11.336 2.563 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.423 1.990 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.675 2.735 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 22 9.269 -0.228 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.823 -0.445 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.585 0.519 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.670 1.328 -6.920 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.775 -0.442 -9.200 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.635 1.330 -9.287 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.206 0.547 -9.578 1.00 0.00 H new ATOM 370 N ASP A 23 11.112 0.330 -9.440 1.00 0.00 N ATOM 371 CA ASP A 23 11.702 -0.928 -9.915 1.00 0.00 C ATOM 372 C ASP A 23 13.129 -0.787 -10.466 1.00 0.00 C ATOM 373 O ASP A 23 13.984 -1.625 -10.174 1.00 0.00 O ATOM 374 CB ASP A 23 10.812 -1.538 -11.008 1.00 0.00 C ATOM 375 CG ASP A 23 10.802 -3.056 -10.971 1.00 0.00 C ATOM 376 OD1 ASP A 23 9.851 -3.631 -10.402 1.00 0.00 O ATOM 377 OD2 ASP A 23 11.745 -3.668 -11.514 1.00 0.00 O ATOM 0 H ASP A 23 10.459 0.762 -10.094 1.00 0.00 H new ATOM 0 HA ASP A 23 11.763 -1.574 -9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.793 -1.168 -10.891 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.162 -1.204 -11.985 1.00 0.00 H new ATOM 382 N LYS A 24 13.371 0.217 -11.315 1.00 0.00 N ATOM 383 CA LYS A 24 14.683 0.375 -11.951 1.00 0.00 C ATOM 384 C LYS A 24 15.620 1.371 -11.252 1.00 0.00 C ATOM 385 O LYS A 24 16.836 1.175 -11.274 1.00 0.00 O ATOM 386 CB LYS A 24 14.498 0.778 -13.422 1.00 0.00 C ATOM 387 CG LYS A 24 14.136 -0.386 -14.341 1.00 0.00 C ATOM 388 CD LYS A 24 12.625 -0.538 -14.505 1.00 0.00 C ATOM 389 CE LYS A 24 12.260 -1.861 -15.163 1.00 0.00 C ATOM 390 NZ LYS A 24 12.544 -1.857 -16.626 1.00 0.00 N ATOM 0 H LYS A 24 12.684 0.925 -11.576 1.00 0.00 H new ATOM 0 HA LYS A 24 15.172 -0.595 -11.868 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.716 1.535 -13.486 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.418 1.239 -13.781 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.593 -0.232 -15.319 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.551 -1.309 -13.937 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.145 -0.472 -13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.240 0.286 -15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.818 -2.668 -14.688 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.202 -2.067 -15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.281 -2.777 -17.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.992 -1.104 -17.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.558 -1.687 -16.782 1.00 0.00 H new ATOM 404 N GLU A 25 15.087 2.444 -10.663 1.00 0.00 N ATOM 405 CA GLU A 25 15.944 3.442 -10.011 1.00 0.00 C ATOM 406 C GLU A 25 16.667 2.876 -8.780 1.00 0.00 C ATOM 407 O GLU A 25 17.872 2.620 -8.835 1.00 0.00 O ATOM 408 CB GLU A 25 15.143 4.699 -9.643 1.00 0.00 C ATOM 409 CG GLU A 25 15.932 5.993 -9.781 1.00 0.00 C ATOM 410 CD GLU A 25 15.975 6.508 -11.208 1.00 0.00 C ATOM 411 OE1 GLU A 25 15.069 7.281 -11.588 1.00 0.00 O ATOM 412 OE2 GLU A 25 16.914 6.139 -11.945 1.00 0.00 O ATOM 0 H GLU A 25 14.088 2.644 -10.623 1.00 0.00 H new ATOM 0 HA GLU A 25 16.712 3.720 -10.733 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.259 4.754 -10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.792 4.607 -8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.488 6.754 -9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.950 5.831 -9.427 1.00 0.00 H new ATOM 419 N MET A 26 15.939 2.687 -7.672 1.00 0.00 N ATOM 420 CA MET A 26 16.524 2.160 -6.430 1.00 0.00 C ATOM 421 C MET A 26 15.459 2.089 -5.328 1.00 0.00 C ATOM 422 O MET A 26 15.258 3.051 -4.588 1.00 0.00 O ATOM 423 CB MET A 26 17.706 3.032 -5.969 1.00 0.00 C ATOM 424 CG MET A 26 19.046 2.308 -5.988 1.00 0.00 C ATOM 425 SD MET A 26 20.447 3.422 -5.765 1.00 0.00 S ATOM 426 CE MET A 26 21.815 2.268 -5.849 1.00 0.00 C ATOM 0 H MET A 26 14.942 2.891 -7.609 1.00 0.00 H new ATOM 0 HA MET A 26 16.895 1.154 -6.628 1.00 0.00 H new ATOM 0 HB2 MET A 26 17.769 3.911 -6.610 1.00 0.00 H new ATOM 0 HB3 MET A 26 17.510 3.389 -4.958 1.00 0.00 H new ATOM 0 HG2 MET A 26 19.058 1.555 -5.200 1.00 0.00 H new ATOM 0 HG3 MET A 26 19.155 1.780 -6.935 1.00 0.00 H new ATOM 0 HE1 MET A 26 22.754 2.808 -5.727 1.00 0.00 H new ATOM 0 HE2 MET A 26 21.716 1.528 -5.055 1.00 0.00 H new ATOM 0 HE3 MET A 26 21.808 1.765 -6.816 1.00 0.00 H new ATOM 436 N PRO A 27 14.752 0.943 -5.221 1.00 0.00 N ATOM 437 CA PRO A 27 13.684 0.728 -4.231 1.00 0.00 C ATOM 438 C PRO A 27 13.911 1.411 -2.873 1.00 0.00 C ATOM 439 O PRO A 27 12.972 1.961 -2.296 1.00 0.00 O ATOM 440 CB PRO A 27 13.691 -0.789 -4.086 1.00 0.00 C ATOM 441 CG PRO A 27 14.029 -1.288 -5.452 1.00 0.00 C ATOM 442 CD PRO A 27 14.925 -0.246 -6.081 1.00 0.00 C ATOM 0 HA PRO A 27 12.740 1.163 -4.560 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.426 -1.115 -3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.722 -1.162 -3.755 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.534 -2.252 -5.399 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.127 -1.433 -6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.964 -0.574 -6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.634 -0.039 -7.111 1.00 0.00 H new ATOM 450 N ASP A 28 15.144 1.366 -2.359 1.00 0.00 N ATOM 451 CA ASP A 28 15.457 1.977 -1.060 1.00 0.00 C ATOM 452 C ASP A 28 15.859 3.446 -1.200 1.00 0.00 C ATOM 453 O ASP A 28 15.482 4.273 -0.368 1.00 0.00 O ATOM 454 CB ASP A 28 16.571 1.196 -0.354 1.00 0.00 C ATOM 455 CG ASP A 28 16.178 -0.239 -0.052 1.00 0.00 C ATOM 456 OD1 ASP A 28 16.537 -1.133 -0.847 1.00 0.00 O ATOM 457 OD2 ASP A 28 15.510 -0.467 0.978 1.00 0.00 O ATOM 0 H ASP A 28 15.937 0.917 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 28 14.549 1.936 -0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.464 1.200 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.830 1.701 0.576 1.00 0.00 H new ATOM 462 N SER A 29 16.614 3.772 -2.249 1.00 0.00 N ATOM 463 CA SER A 29 17.049 5.151 -2.480 1.00 0.00 C ATOM 464 C SER A 29 16.008 5.929 -3.296 1.00 0.00 C ATOM 465 O SER A 29 16.356 6.757 -4.140 1.00 0.00 O ATOM 466 CB SER A 29 18.410 5.170 -3.186 1.00 0.00 C ATOM 467 OG SER A 29 19.360 5.917 -2.444 1.00 0.00 O ATOM 0 H SER A 29 16.936 3.104 -2.950 1.00 0.00 H new ATOM 0 HA SER A 29 17.151 5.641 -1.512 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.769 4.149 -3.318 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.301 5.601 -4.181 1.00 0.00 H new ATOM 0 HG SER A 29 20.220 5.912 -2.915 1.00 0.00 H new ATOM 473 N ASP A 30 14.724 5.653 -3.036 1.00 0.00 N ATOM 474 CA ASP A 30 13.634 6.317 -3.741 1.00 0.00 C ATOM 475 C ASP A 30 12.671 7.005 -2.773 1.00 0.00 C ATOM 476 O ASP A 30 12.020 7.975 -3.148 1.00 0.00 O ATOM 477 CB ASP A 30 12.863 5.314 -4.605 1.00 0.00 C ATOM 478 CG ASP A 30 13.678 4.790 -5.773 1.00 0.00 C ATOM 479 OD1 ASP A 30 14.717 5.404 -6.104 1.00 0.00 O ATOM 480 OD2 ASP A 30 13.277 3.764 -6.358 1.00 0.00 O ATOM 0 H ASP A 30 14.420 4.972 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 30 14.080 7.080 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.547 4.476 -3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.958 5.789 -4.984 1.00 0.00 H new ATOM 485 N ALA A 31 12.573 6.503 -1.535 1.00 0.00 N ATOM 486 CA ALA A 31 11.669 7.088 -0.541 1.00 0.00 C ATOM 487 C ALA A 31 11.895 8.594 -0.355 1.00 0.00 C ATOM 488 O ALA A 31 10.935 9.357 -0.241 1.00 0.00 O ATOM 489 CB ALA A 31 11.813 6.369 0.788 1.00 0.00 C ATOM 0 H ALA A 31 13.105 5.699 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 31 10.654 6.960 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.136 6.814 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.567 5.315 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.840 6.462 1.142 1.00 0.00 H new ATOM 495 N VAL A 32 13.163 9.017 -0.314 1.00 0.00 N ATOM 496 CA VAL A 32 13.493 10.432 -0.130 1.00 0.00 C ATOM 497 C VAL A 32 13.235 11.244 -1.394 1.00 0.00 C ATOM 498 O VAL A 32 12.940 12.438 -1.315 1.00 0.00 O ATOM 499 CB VAL A 32 14.955 10.629 0.323 1.00 0.00 C ATOM 500 CG1 VAL A 32 15.224 12.085 0.691 1.00 0.00 C ATOM 501 CG2 VAL A 32 15.294 9.708 1.491 1.00 0.00 C ATOM 0 H VAL A 32 13.972 8.403 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 32 12.834 10.796 0.658 1.00 0.00 H new ATOM 0 HB VAL A 32 15.600 10.367 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.262 12.195 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.039 12.719 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.564 12.382 1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.330 9.867 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.635 9.928 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.159 8.670 1.187 1.00 0.00 H new ATOM 511 N LYS A 33 13.299 10.596 -2.555 1.00 0.00 N ATOM 512 CA LYS A 33 13.023 11.268 -3.820 1.00 0.00 C ATOM 513 C LYS A 33 11.545 11.101 -4.166 1.00 0.00 C ATOM 514 O LYS A 33 11.007 11.810 -5.016 1.00 0.00 O ATOM 515 CB LYS A 33 13.902 10.693 -4.939 1.00 0.00 C ATOM 516 CG LYS A 33 15.385 10.630 -4.591 1.00 0.00 C ATOM 517 CD LYS A 33 16.014 12.018 -4.540 1.00 0.00 C ATOM 518 CE LYS A 33 17.513 11.946 -4.282 1.00 0.00 C ATOM 519 NZ LYS A 33 18.136 13.299 -4.232 1.00 0.00 N ATOM 0 H LYS A 33 13.539 9.609 -2.645 1.00 0.00 H new ATOM 0 HA LYS A 33 13.254 12.329 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.553 9.689 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.775 11.300 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.511 10.138 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.906 10.022 -5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.831 12.536 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.537 12.605 -3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.694 11.428 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.988 11.357 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.156 13.205 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.986 13.784 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.701 13.853 -3.467 1.00 0.00 H new ATOM 533 N PHE A 34 10.896 10.152 -3.480 1.00 0.00 N ATOM 534 CA PHE A 34 9.482 9.857 -3.676 1.00 0.00 C ATOM 535 C PHE A 34 8.585 10.924 -3.044 1.00 0.00 C ATOM 536 O PHE A 34 7.372 10.829 -3.138 1.00 0.00 O ATOM 537 CB PHE A 34 9.137 8.485 -3.065 1.00 0.00 C ATOM 538 CG PHE A 34 9.314 7.299 -3.985 1.00 0.00 C ATOM 539 CD1 PHE A 34 9.374 7.445 -5.366 1.00 0.00 C ATOM 540 CD2 PHE A 34 9.386 6.020 -3.452 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.499 6.345 -6.186 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.515 4.919 -4.270 1.00 0.00 C ATOM 543 CZ PHE A 34 9.569 5.081 -5.640 1.00 0.00 C ATOM 0 H PHE A 34 11.343 9.569 -2.773 1.00 0.00 H new ATOM 0 HA PHE A 34 9.300 9.847 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.758 8.334 -2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.101 8.508 -2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.322 8.432 -5.801 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.340 5.886 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.542 6.473 -7.258 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.574 3.930 -3.840 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.666 4.219 -6.283 1.00 0.00 H new ATOM 553 N GLU A 35 9.169 11.935 -2.396 1.00 0.00 N ATOM 554 CA GLU A 35 8.362 12.988 -1.774 1.00 0.00 C ATOM 555 C GLU A 35 8.294 14.243 -2.655 1.00 0.00 C ATOM 556 O GLU A 35 7.506 15.151 -2.383 1.00 0.00 O ATOM 557 CB GLU A 35 8.930 13.354 -0.399 1.00 0.00 C ATOM 558 CG GLU A 35 8.715 12.285 0.660 1.00 0.00 C ATOM 559 CD GLU A 35 9.289 12.672 2.010 1.00 0.00 C ATOM 560 OE1 GLU A 35 8.559 13.296 2.810 1.00 0.00 O ATOM 561 OE2 GLU A 35 10.469 12.352 2.267 1.00 0.00 O ATOM 0 H GLU A 35 10.177 12.047 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 35 7.351 12.598 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.999 13.545 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.470 14.283 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.647 12.094 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.174 11.354 0.328 1.00 0.00 H new ATOM 568 N HIS A 36 9.121 14.295 -3.705 1.00 0.00 N ATOM 569 CA HIS A 36 9.148 15.446 -4.612 1.00 0.00 C ATOM 570 C HIS A 36 8.147 15.274 -5.756 1.00 0.00 C ATOM 571 O HIS A 36 7.299 16.135 -5.986 1.00 0.00 O ATOM 572 CB HIS A 36 10.552 15.643 -5.199 1.00 0.00 C ATOM 573 CG HIS A 36 11.661 15.483 -4.214 1.00 0.00 C ATOM 574 ND1 HIS A 36 12.660 14.578 -4.168 1.00 0.00 N flip ATOM 575 CD2 HIS A 36 11.842 16.311 -3.126 1.00 0.00 C flip ATOM 576 CE1 HIS A 36 13.425 14.869 -3.065 1.00 0.00 C flip ATOM 577 NE2 HIS A 36 12.910 15.920 -2.453 1.00 0.00 N flip ATOM 0 H HIS A 36 9.779 13.554 -3.947 1.00 0.00 H new ATOM 0 HA HIS A 36 8.872 16.324 -4.028 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.697 14.929 -6.010 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.613 16.639 -5.637 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.210 17.147 -2.865 1.00 0.00 H new ATOM 0 HE1 HIS A 36 14.304 14.327 -2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 36 13.274 16.355 -1.606 1.00 0.00 H new ATOM 586 N HIS A 37 8.269 14.157 -6.473 1.00 0.00 N ATOM 587 CA HIS A 37 7.394 13.853 -7.613 1.00 0.00 C ATOM 588 C HIS A 37 5.994 13.462 -7.151 1.00 0.00 C ATOM 589 O HIS A 37 4.998 13.781 -7.802 1.00 0.00 O ATOM 590 CB HIS A 37 7.983 12.710 -8.442 1.00 0.00 C ATOM 591 CG HIS A 37 9.455 12.766 -8.550 1.00 0.00 C ATOM 592 ND1 HIS A 37 10.406 12.126 -7.841 1.00 0.00 N flip ATOM 593 CD2 HIS A 37 10.108 13.570 -9.443 1.00 0.00 C flip ATOM 594 CE1 HIS A 37 11.616 12.554 -8.317 1.00 0.00 C flip ATOM 595 NE2 HIS A 37 11.401 13.427 -9.284 1.00 0.00 N flip ATOM 0 H HIS A 37 8.970 13.440 -6.285 1.00 0.00 H new ATOM 0 HA HIS A 37 7.323 14.755 -8.221 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.694 11.759 -7.994 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.551 12.736 -9.442 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.253 11.451 -7.092 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.634 14.219 -10.164 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.584 12.232 -7.961 1.00 0.00 H new ATOM 604 N PHE A 38 5.940 12.749 -6.031 1.00 0.00 N ATOM 605 CA PHE A 38 4.681 12.274 -5.464 1.00 0.00 C ATOM 606 C PHE A 38 3.819 13.434 -4.950 1.00 0.00 C ATOM 607 O PHE A 38 2.591 13.381 -5.030 1.00 0.00 O ATOM 608 CB PHE A 38 4.987 11.278 -4.334 1.00 0.00 C ATOM 609 CG PHE A 38 5.523 9.933 -4.811 1.00 0.00 C ATOM 610 CD1 PHE A 38 6.041 9.774 -6.102 1.00 0.00 C ATOM 611 CD2 PHE A 38 5.501 8.816 -3.968 1.00 0.00 C ATOM 612 CE1 PHE A 38 6.512 8.547 -6.528 1.00 0.00 C ATOM 613 CE2 PHE A 38 5.980 7.596 -4.399 1.00 0.00 C ATOM 614 CZ PHE A 38 6.482 7.461 -5.677 1.00 0.00 C ATOM 0 H PHE A 38 6.764 12.484 -5.492 1.00 0.00 H new ATOM 0 HA PHE A 38 4.108 11.777 -6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.714 11.726 -3.657 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.077 11.110 -3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.073 10.620 -6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.104 8.910 -2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.904 8.438 -7.528 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.962 6.745 -3.735 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.852 6.503 -6.012 1.00 0.00 H new ATOM 624 N GLU A 39 4.467 14.474 -4.418 1.00 0.00 N ATOM 625 CA GLU A 39 3.759 15.644 -3.886 1.00 0.00 C ATOM 626 C GLU A 39 3.531 16.729 -4.947 1.00 0.00 C ATOM 627 O GLU A 39 2.582 17.507 -4.839 1.00 0.00 O ATOM 628 CB GLU A 39 4.536 16.232 -2.702 1.00 0.00 C ATOM 629 CG GLU A 39 3.693 17.112 -1.789 1.00 0.00 C ATOM 630 CD GLU A 39 4.474 17.641 -0.600 1.00 0.00 C ATOM 631 OE1 GLU A 39 5.066 18.734 -0.719 1.00 0.00 O ATOM 632 OE2 GLU A 39 4.491 16.963 0.448 1.00 0.00 O ATOM 0 H GLU A 39 5.483 14.530 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 39 2.778 15.302 -3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.958 15.416 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.373 16.817 -3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.299 17.951 -2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.836 16.541 -1.431 1.00 0.00 H new ATOM 639 N GLU A 40 4.409 16.798 -5.957 1.00 0.00 N ATOM 640 CA GLU A 40 4.293 17.816 -7.012 1.00 0.00 C ATOM 641 C GLU A 40 2.882 17.860 -7.613 1.00 0.00 C ATOM 642 O GLU A 40 2.355 18.941 -7.883 1.00 0.00 O ATOM 643 CB GLU A 40 5.349 17.593 -8.111 1.00 0.00 C ATOM 644 CG GLU A 40 4.934 16.633 -9.210 1.00 0.00 C ATOM 645 CD GLU A 40 6.093 16.201 -10.091 1.00 0.00 C ATOM 646 OE1 GLU A 40 6.894 17.073 -10.491 1.00 0.00 O ATOM 647 OE2 GLU A 40 6.197 14.991 -10.382 1.00 0.00 O ATOM 0 H GLU A 40 5.202 16.166 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 40 4.479 18.784 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.592 18.555 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.262 17.219 -7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.478 15.751 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.171 17.106 -9.829 1.00 0.00 H new ATOM 654 N SER A 41 2.271 16.688 -7.811 1.00 0.00 N ATOM 655 CA SER A 41 0.920 16.609 -8.368 1.00 0.00 C ATOM 656 C SER A 41 0.055 15.635 -7.567 1.00 0.00 C ATOM 657 O SER A 41 -0.290 14.552 -8.046 1.00 0.00 O ATOM 658 CB SER A 41 0.953 16.199 -9.848 1.00 0.00 C ATOM 659 OG SER A 41 2.278 15.984 -10.300 1.00 0.00 O ATOM 0 H SER A 41 2.690 15.784 -7.594 1.00 0.00 H new ATOM 0 HA SER A 41 0.477 17.602 -8.299 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.368 15.290 -9.987 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.483 16.976 -10.452 1.00 0.00 H new ATOM 0 HG SER A 41 2.263 15.723 -11.244 1.00 0.00 H new ATOM 665 N SER A 42 -0.302 16.033 -6.345 1.00 0.00 N ATOM 666 CA SER A 42 -1.140 15.203 -5.477 1.00 0.00 C ATOM 667 C SER A 42 -2.487 14.880 -6.143 1.00 0.00 C ATOM 668 O SER A 42 -2.952 13.744 -6.067 1.00 0.00 O ATOM 669 CB SER A 42 -1.373 15.893 -4.128 1.00 0.00 C ATOM 670 OG SER A 42 -0.149 16.319 -3.554 1.00 0.00 O ATOM 0 H SER A 42 -0.024 16.924 -5.934 1.00 0.00 H new ATOM 0 HA SER A 42 -0.610 14.266 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.032 16.750 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.878 15.207 -3.448 1.00 0.00 H new ATOM 0 HG SER A 42 -0.325 16.757 -2.695 1.00 0.00 H new ATOM 676 N PRO A 43 -3.140 15.872 -6.804 1.00 0.00 N ATOM 677 CA PRO A 43 -4.442 15.667 -7.474 1.00 0.00 C ATOM 678 C PRO A 43 -4.431 14.549 -8.517 1.00 0.00 C ATOM 679 O PRO A 43 -5.487 14.006 -8.847 1.00 0.00 O ATOM 680 CB PRO A 43 -4.727 17.023 -8.132 1.00 0.00 C ATOM 681 CG PRO A 43 -3.940 17.995 -7.329 1.00 0.00 C ATOM 682 CD PRO A 43 -2.684 17.270 -6.947 1.00 0.00 C ATOM 0 HA PRO A 43 -5.203 15.351 -6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.419 17.030 -9.178 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.791 17.259 -8.111 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.716 18.892 -7.907 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.493 18.315 -6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.913 17.367 -7.711 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.262 17.654 -6.018 1.00 0.00 H new ATOM 690 N CYS A 44 -3.246 14.162 -8.998 1.00 0.00 N ATOM 691 CA CYS A 44 -3.141 13.064 -9.947 1.00 0.00 C ATOM 692 C CYS A 44 -3.083 11.767 -9.164 1.00 0.00 C ATOM 693 O CYS A 44 -3.597 10.730 -9.586 1.00 0.00 O ATOM 694 CB CYS A 44 -1.908 13.231 -10.830 1.00 0.00 C ATOM 695 SG CYS A 44 -2.112 14.479 -12.139 1.00 0.00 S ATOM 0 H CYS A 44 -2.356 14.592 -8.745 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.008 13.054 -10.608 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.059 13.508 -10.205 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.667 12.272 -11.288 1.00 0.00 H new ATOM 700 N LEU A 45 -2.480 11.864 -7.991 1.00 0.00 N ATOM 701 CA LEU A 45 -2.361 10.773 -7.080 1.00 0.00 C ATOM 702 C LEU A 45 -3.657 10.641 -6.256 1.00 0.00 C ATOM 703 O LEU A 45 -3.801 9.709 -5.463 1.00 0.00 O ATOM 704 CB LEU A 45 -1.143 11.050 -6.196 1.00 0.00 C ATOM 705 CG LEU A 45 -0.340 9.842 -5.784 1.00 0.00 C ATOM 706 CD1 LEU A 45 0.202 9.101 -7.000 1.00 0.00 C ATOM 707 CD2 LEU A 45 0.799 10.246 -4.854 1.00 0.00 C ATOM 0 H LEU A 45 -2.056 12.728 -7.652 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.220 9.826 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.483 11.738 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.481 11.562 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.005 9.166 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.777 8.235 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.628 8.770 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.846 9.767 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.367 9.361 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.456 10.948 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.390 10.719 -3.961 1.00 0.00 H new ATOM 719 N GLU A 46 -4.604 11.588 -6.460 1.00 0.00 N ATOM 720 CA GLU A 46 -5.891 11.584 -5.749 1.00 0.00 C ATOM 721 C GLU A 46 -7.056 11.273 -6.696 1.00 0.00 C ATOM 722 O GLU A 46 -8.221 11.545 -6.399 1.00 0.00 O ATOM 723 CB GLU A 46 -6.102 12.919 -5.060 1.00 0.00 C ATOM 724 CG GLU A 46 -5.058 13.192 -3.997 1.00 0.00 C ATOM 725 CD GLU A 46 -5.660 13.526 -2.644 1.00 0.00 C ATOM 726 OE1 GLU A 46 -5.850 14.728 -2.359 1.00 0.00 O ATOM 727 OE2 GLU A 46 -5.943 12.587 -1.871 1.00 0.00 O ATOM 0 H GLU A 46 -4.494 12.363 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.864 10.795 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.077 13.716 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.093 12.938 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.414 12.319 -3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.426 14.019 -4.321 1.00 0.00 H new ATOM 734 N LYS A 47 -6.706 10.608 -7.780 1.00 0.00 N ATOM 735 CA LYS A 47 -7.696 10.129 -8.749 1.00 0.00 C ATOM 736 C LYS A 47 -8.061 8.679 -8.452 1.00 0.00 C ATOM 737 O LYS A 47 -9.238 8.318 -8.390 1.00 0.00 O ATOM 738 CB LYS A 47 -7.201 10.207 -10.185 1.00 0.00 C ATOM 739 CG LYS A 47 -7.174 11.605 -10.754 1.00 0.00 C ATOM 740 CD LYS A 47 -5.850 11.866 -11.418 1.00 0.00 C ATOM 741 CE LYS A 47 -5.776 11.229 -12.802 1.00 0.00 C ATOM 742 NZ LYS A 47 -6.477 12.044 -13.834 1.00 0.00 N ATOM 0 H LYS A 47 -5.741 10.382 -8.020 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.563 10.782 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.196 9.787 -10.235 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.839 9.584 -10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.982 11.728 -11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.341 12.333 -9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.692 12.941 -11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.047 11.474 -10.794 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.731 11.104 -13.088 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.218 10.233 -12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.745 11.436 -14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.332 12.468 -13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.844 12.798 -14.170 1.00 0.00 H new ATOM 756 N TYR A 48 -7.028 7.851 -8.302 1.00 0.00 N ATOM 757 CA TYR A 48 -7.197 6.421 -8.048 1.00 0.00 C ATOM 758 C TYR A 48 -7.031 6.068 -6.567 1.00 0.00 C ATOM 759 O TYR A 48 -7.612 5.090 -6.094 1.00 0.00 O ATOM 760 CB TYR A 48 -6.188 5.643 -8.901 1.00 0.00 C ATOM 761 CG TYR A 48 -6.167 6.093 -10.350 1.00 0.00 C ATOM 762 CD1 TYR A 48 -5.331 7.127 -10.764 1.00 0.00 C ATOM 763 CD2 TYR A 48 -6.998 5.504 -11.297 1.00 0.00 C ATOM 764 CE1 TYR A 48 -5.324 7.559 -12.076 1.00 0.00 C ATOM 765 CE2 TYR A 48 -6.993 5.929 -12.614 1.00 0.00 C ATOM 766 CZ TYR A 48 -6.155 6.957 -12.997 1.00 0.00 C ATOM 767 OH TYR A 48 -6.151 7.383 -14.305 1.00 0.00 O ATOM 0 H TYR A 48 -6.054 8.151 -8.353 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.215 6.144 -8.322 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.192 5.762 -8.475 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.428 4.581 -8.859 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.677 7.600 -10.047 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.658 4.702 -11.000 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.671 8.364 -12.379 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.641 5.459 -13.338 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.793 6.854 -14.823 1.00 0.00 H new ATOM 777 N GLY A 49 -6.233 6.858 -5.844 1.00 0.00 N ATOM 778 CA GLY A 49 -6.003 6.600 -4.435 1.00 0.00 C ATOM 779 C GLY A 49 -4.620 6.038 -4.184 1.00 0.00 C ATOM 780 O GLY A 49 -4.457 5.071 -3.437 1.00 0.00 O ATOM 0 H GLY A 49 -5.743 7.672 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.127 7.525 -3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.752 5.899 -4.067 1.00 0.00 H new ATOM 784 N LEU A 50 -3.627 6.644 -4.828 1.00 0.00 N ATOM 785 CA LEU A 50 -2.238 6.213 -4.710 1.00 0.00 C ATOM 786 C LEU A 50 -1.518 6.920 -3.558 1.00 0.00 C ATOM 787 O LEU A 50 -0.543 6.393 -3.025 1.00 0.00 O ATOM 788 CB LEU A 50 -1.502 6.497 -6.026 1.00 0.00 C ATOM 789 CG LEU A 50 -0.932 5.284 -6.771 1.00 0.00 C ATOM 790 CD1 LEU A 50 -1.972 4.174 -6.930 1.00 0.00 C ATOM 791 CD2 LEU A 50 -0.406 5.722 -8.125 1.00 0.00 C ATOM 0 H LEU A 50 -3.762 7.445 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.236 5.144 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.189 7.016 -6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.682 7.184 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.114 4.873 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.528 3.333 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.306 3.845 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.824 4.552 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.001 4.860 -8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.218 6.157 -8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.380 6.465 -7.987 1.00 0.00 H new ATOM 803 N GLU A 51 -1.991 8.116 -3.186 1.00 0.00 N ATOM 804 CA GLU A 51 -1.364 8.889 -2.104 1.00 0.00 C ATOM 805 C GLU A 51 -1.236 8.056 -0.830 1.00 0.00 C ATOM 806 O GLU A 51 -0.138 7.829 -0.328 1.00 0.00 O ATOM 807 CB GLU A 51 -2.184 10.156 -1.804 1.00 0.00 C ATOM 808 CG GLU A 51 -1.763 11.375 -2.613 1.00 0.00 C ATOM 809 CD GLU A 51 -1.940 12.676 -1.853 1.00 0.00 C ATOM 810 OE1 GLU A 51 -0.974 13.465 -1.792 1.00 0.00 O ATOM 811 OE2 GLU A 51 -3.045 12.907 -1.317 1.00 0.00 O ATOM 0 H GLU A 51 -2.799 8.568 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.366 9.171 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.236 9.949 -1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.097 10.390 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.718 11.269 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.347 11.414 -3.532 1.00 0.00 H new ATOM 818 N GLN A 52 -2.380 7.622 -0.323 1.00 0.00 N ATOM 819 CA GLN A 52 -2.458 6.826 0.906 1.00 0.00 C ATOM 820 C GLN A 52 -1.467 5.671 0.909 1.00 0.00 C ATOM 821 O GLN A 52 -0.948 5.303 1.963 1.00 0.00 O ATOM 822 CB GLN A 52 -3.875 6.271 1.122 1.00 0.00 C ATOM 823 CG GLN A 52 -4.989 7.160 0.590 1.00 0.00 C ATOM 824 CD GLN A 52 -6.089 7.405 1.608 1.00 0.00 C ATOM 825 OE1 GLN A 52 -7.166 6.814 1.528 1.00 0.00 O ATOM 826 NE2 GLN A 52 -5.825 8.283 2.573 1.00 0.00 N ATOM 0 H GLN A 52 -3.287 7.809 -0.749 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.203 7.503 1.722 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.946 5.295 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.031 6.114 2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.567 8.117 0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.420 6.700 -0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.919 8.751 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.528 8.488 3.283 1.00 0.00 H new ATOM 835 N ALA A 53 -1.211 5.090 -0.259 1.00 0.00 N ATOM 836 CA ALA A 53 -0.279 3.962 -0.335 1.00 0.00 C ATOM 837 C ALA A 53 1.164 4.409 -0.573 1.00 0.00 C ATOM 838 O ALA A 53 2.069 3.933 0.107 1.00 0.00 O ATOM 839 CB ALA A 53 -0.709 2.949 -1.378 1.00 0.00 C ATOM 0 H ALA A 53 -1.623 5.371 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.308 3.476 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.007 2.128 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.696 2.562 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.748 3.428 -2.356 1.00 0.00 H new ATOM 845 N VAL A 54 1.393 5.315 -1.533 1.00 0.00 N ATOM 846 CA VAL A 54 2.759 5.785 -1.805 1.00 0.00 C ATOM 847 C VAL A 54 3.385 6.378 -0.547 1.00 0.00 C ATOM 848 O VAL A 54 4.596 6.276 -0.352 1.00 0.00 O ATOM 849 CB VAL A 54 2.840 6.777 -2.988 1.00 0.00 C ATOM 850 CG1 VAL A 54 2.532 6.055 -4.288 1.00 0.00 C ATOM 851 CG2 VAL A 54 1.911 7.968 -2.809 1.00 0.00 C ATOM 0 H VAL A 54 0.670 5.729 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 54 3.334 4.909 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 54 3.857 7.169 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.591 6.759 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.256 5.254 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.528 5.633 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.005 8.635 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.881 7.618 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.180 8.506 -1.900 1.00 0.00 H new ATOM 861 N LYS A 55 2.552 6.942 0.341 1.00 0.00 N ATOM 862 CA LYS A 55 3.055 7.467 1.615 1.00 0.00 C ATOM 863 C LYS A 55 3.848 6.347 2.295 1.00 0.00 C ATOM 864 O LYS A 55 4.897 6.572 2.901 1.00 0.00 O ATOM 865 CB LYS A 55 1.901 7.906 2.537 1.00 0.00 C ATOM 866 CG LYS A 55 0.994 9.008 1.989 1.00 0.00 C ATOM 867 CD LYS A 55 1.687 9.887 0.951 1.00 0.00 C ATOM 868 CE LYS A 55 0.848 11.109 0.598 1.00 0.00 C ATOM 869 NZ LYS A 55 0.949 12.176 1.634 1.00 0.00 N ATOM 0 H LYS A 55 1.547 7.044 0.203 1.00 0.00 H new ATOM 0 HA LYS A 55 3.679 8.341 1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.287 7.033 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.325 8.247 3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.110 8.554 1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.649 9.632 2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.655 10.209 1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.879 9.304 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.173 11.506 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.195 10.812 0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.363 12.988 1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.615 11.806 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.940 12.479 1.725 1.00 0.00 H new ATOM 883 N LYS A 56 3.309 5.131 2.149 1.00 0.00 N ATOM 884 CA LYS A 56 3.915 3.923 2.696 1.00 0.00 C ATOM 885 C LYS A 56 5.266 3.658 2.043 1.00 0.00 C ATOM 886 O LYS A 56 6.225 3.282 2.716 1.00 0.00 O ATOM 887 CB LYS A 56 2.987 2.729 2.542 1.00 0.00 C ATOM 888 CG LYS A 56 1.569 3.056 2.959 1.00 0.00 C ATOM 889 CD LYS A 56 1.510 3.622 4.369 1.00 0.00 C ATOM 890 CE LYS A 56 0.228 4.406 4.615 1.00 0.00 C ATOM 891 NZ LYS A 56 -0.993 3.584 4.373 1.00 0.00 N ATOM 0 H LYS A 56 2.438 4.962 1.646 1.00 0.00 H new ATOM 0 HA LYS A 56 4.079 4.077 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.992 2.397 1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.360 1.900 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.142 3.776 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.957 2.156 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.581 2.808 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.370 4.271 4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.220 4.772 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.209 5.281 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.678 3.747 5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.419 3.855 3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.734 2.577 4.348 1.00 0.00 H new ATOM 905 N LEU A 57 5.350 3.895 0.727 1.00 0.00 N ATOM 906 CA LEU A 57 6.607 3.723 -0.011 1.00 0.00 C ATOM 907 C LEU A 57 7.634 4.714 0.498 1.00 0.00 C ATOM 908 O LEU A 57 8.802 4.378 0.698 1.00 0.00 O ATOM 909 CB LEU A 57 6.412 3.953 -1.512 1.00 0.00 C ATOM 910 CG LEU A 57 5.400 3.042 -2.211 1.00 0.00 C ATOM 911 CD1 LEU A 57 5.847 2.761 -3.643 1.00 0.00 C ATOM 912 CD2 LEU A 57 5.196 1.735 -1.454 1.00 0.00 C ATOM 0 H LEU A 57 4.565 4.205 0.154 1.00 0.00 H new ATOM 0 HA LEU A 57 6.947 2.699 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.103 4.987 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.377 3.834 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 57 4.443 3.563 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.120 2.112 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.921 3.700 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.820 2.270 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.470 1.117 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.145 1.202 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.827 1.949 -0.451 1.00 0.00 H new ATOM 924 N VAL A 58 7.171 5.942 0.715 1.00 0.00 N ATOM 925 CA VAL A 58 8.030 7.011 1.223 1.00 0.00 C ATOM 926 C VAL A 58 8.546 6.657 2.622 1.00 0.00 C ATOM 927 O VAL A 58 9.694 6.943 2.969 1.00 0.00 O ATOM 928 CB VAL A 58 7.277 8.365 1.273 1.00 0.00 C ATOM 929 CG1 VAL A 58 8.063 9.410 2.059 1.00 0.00 C ATOM 930 CG2 VAL A 58 6.976 8.866 -0.135 1.00 0.00 C ATOM 0 H VAL A 58 6.205 6.223 0.547 1.00 0.00 H new ATOM 0 HA VAL A 58 8.873 7.112 0.539 1.00 0.00 H new ATOM 0 HB VAL A 58 6.332 8.200 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.507 10.347 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.213 9.060 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.031 9.570 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.447 9.817 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.910 9.002 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.355 8.137 -0.656 1.00 0.00 H new ATOM 940 N LYS A 59 7.676 6.023 3.408 1.00 0.00 N ATOM 941 CA LYS A 59 7.981 5.594 4.765 1.00 0.00 C ATOM 942 C LYS A 59 9.223 4.707 4.815 1.00 0.00 C ATOM 943 O LYS A 59 10.012 4.778 5.758 1.00 0.00 O ATOM 944 CB LYS A 59 6.780 4.813 5.274 1.00 0.00 C ATOM 945 CG LYS A 59 6.761 4.562 6.760 1.00 0.00 C ATOM 946 CD LYS A 59 5.346 4.238 7.195 1.00 0.00 C ATOM 947 CE LYS A 59 5.065 2.740 7.137 1.00 0.00 C ATOM 948 NZ LYS A 59 3.676 2.417 7.567 1.00 0.00 N ATOM 0 H LYS A 59 6.728 5.792 3.112 1.00 0.00 H new ATOM 0 HA LYS A 59 8.185 6.469 5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.873 5.353 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.746 3.853 4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.428 3.737 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.126 5.440 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.186 4.599 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.639 4.766 6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.223 2.380 6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.774 2.213 7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.526 1.389 7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.532 2.737 8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.998 2.899 6.943 1.00 0.00 H new ATOM 962 N ARG A 60 9.369 3.864 3.793 1.00 0.00 N ATOM 963 CA ARG A 60 10.494 2.931 3.691 1.00 0.00 C ATOM 964 C ARG A 60 11.817 3.582 4.099 1.00 0.00 C ATOM 965 O ARG A 60 12.385 3.247 5.139 1.00 0.00 O ATOM 966 CB ARG A 60 10.611 2.400 2.265 1.00 0.00 C ATOM 967 CG ARG A 60 9.472 1.484 1.833 1.00 0.00 C ATOM 968 CD ARG A 60 9.519 1.228 0.335 1.00 0.00 C ATOM 969 NE ARG A 60 9.015 -0.099 -0.026 1.00 0.00 N ATOM 970 CZ ARG A 60 9.049 -0.598 -1.266 1.00 0.00 C ATOM 971 NH1 ARG A 60 9.547 0.119 -2.272 1.00 0.00 N ATOM 972 NH2 ARG A 60 8.586 -1.819 -1.502 1.00 0.00 N ATOM 0 H ARG A 60 8.713 3.808 3.014 1.00 0.00 H new ATOM 0 HA ARG A 60 10.294 2.109 4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.659 3.246 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.552 1.858 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.538 0.538 2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.516 1.936 2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.930 1.988 -0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.546 1.330 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 60 8.614 -0.677 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.907 1.058 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.568 -0.271 -3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.204 -2.376 -0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.612 -2.200 -2.448 1.00 0.00 H new ATOM 986 N ALA A 61 12.292 4.510 3.261 1.00 0.00 N ATOM 987 CA ALA A 61 13.549 5.230 3.494 1.00 0.00 C ATOM 988 C ALA A 61 14.624 4.344 4.147 1.00 0.00 C ATOM 989 O ALA A 61 15.352 3.636 3.451 1.00 0.00 O ATOM 990 CB ALA A 61 13.293 6.489 4.317 1.00 0.00 C ATOM 0 H ALA A 61 11.815 4.783 2.402 1.00 0.00 H new ATOM 0 HA ALA A 61 13.943 5.522 2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.234 7.013 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.604 7.141 3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.858 6.214 5.278 1.00 0.00 H new ATOM 996 N ALA A 62 14.720 4.388 5.483 1.00 0.00 N ATOM 997 CA ALA A 62 15.700 3.591 6.215 1.00 0.00 C ATOM 998 C ALA A 62 15.208 3.278 7.627 1.00 0.00 C ATOM 999 O ALA A 62 14.810 4.180 8.368 1.00 0.00 O ATOM 1000 CB ALA A 62 17.041 4.314 6.266 1.00 0.00 C ATOM 0 H ALA A 62 14.127 4.970 6.075 1.00 0.00 H new ATOM 0 HA ALA A 62 15.832 2.647 5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 62 17.761 3.707 6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 62 17.404 4.479 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 62 16.918 5.274 6.768 1.00 0.00 H new ATOM 1006 N GLY A 63 15.230 1.993 7.992 1.00 0.00 N ATOM 1007 CA GLY A 63 14.776 1.578 9.313 1.00 0.00 C ATOM 1008 C GLY A 63 13.352 1.045 9.297 1.00 0.00 C ATOM 1009 O GLY A 63 13.027 0.105 10.022 1.00 0.00 O ATOM 0 H GLY A 63 15.555 1.232 7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.445 0.808 9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.836 2.424 9.997 1.00 0.00 H new ATOM 1013 N GLN A 64 12.503 1.649 8.460 1.00 0.00 N ATOM 1014 CA GLN A 64 11.104 1.241 8.336 1.00 0.00 C ATOM 1015 C GLN A 64 10.983 -0.009 7.461 1.00 0.00 C ATOM 1016 O GLN A 64 11.972 -0.712 7.244 1.00 0.00 O ATOM 1017 CB GLN A 64 10.273 2.402 7.763 1.00 0.00 C ATOM 1018 CG GLN A 64 10.034 3.536 8.754 1.00 0.00 C ATOM 1019 CD GLN A 64 11.230 4.464 8.891 1.00 0.00 C ATOM 1020 OE1 GLN A 64 12.020 4.268 9.943 1.00 0.00 O flip ATOM 1021 NE2 GLN A 64 11.441 5.348 8.061 1.00 0.00 N flip ATOM 0 H GLN A 64 12.765 2.427 7.855 1.00 0.00 H new ATOM 0 HA GLN A 64 10.716 0.992 9.324 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.780 2.801 6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.310 2.016 7.427 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.167 4.114 8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.794 3.114 9.730 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.810 5.464 7.268 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.247 5.964 8.166 1.00 0.00 H new ATOM 1030 N ASP A 65 9.771 -0.284 6.959 1.00 0.00 N ATOM 1031 CA ASP A 65 9.526 -1.448 6.101 1.00 0.00 C ATOM 1032 C ASP A 65 10.614 -1.592 5.029 1.00 0.00 C ATOM 1033 O ASP A 65 10.864 -2.692 4.535 1.00 0.00 O ATOM 1034 CB ASP A 65 8.148 -1.330 5.439 1.00 0.00 C ATOM 1035 CG ASP A 65 7.043 -1.939 6.282 1.00 0.00 C ATOM 1036 OD1 ASP A 65 6.818 -3.162 6.172 1.00 0.00 O ATOM 1037 OD2 ASP A 65 6.404 -1.191 7.052 1.00 0.00 O ATOM 0 H ASP A 65 8.944 0.287 7.134 1.00 0.00 H new ATOM 0 HA ASP A 65 9.552 -2.340 6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.925 -0.279 5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.172 -1.823 4.467 1.00 0.00 H new ATOM 1042 N ASP A 66 11.270 -0.470 4.696 1.00 0.00 N ATOM 1043 CA ASP A 66 12.354 -0.440 3.703 1.00 0.00 C ATOM 1044 C ASP A 66 11.906 -0.930 2.319 1.00 0.00 C ATOM 1045 O ASP A 66 11.782 -0.133 1.394 1.00 0.00 O ATOM 1046 CB ASP A 66 13.557 -1.254 4.200 1.00 0.00 C ATOM 1047 CG ASP A 66 14.767 -0.386 4.495 1.00 0.00 C ATOM 1048 OD1 ASP A 66 15.754 -0.463 3.734 1.00 0.00 O ATOM 1049 OD2 ASP A 66 14.728 0.368 5.490 1.00 0.00 O ATOM 0 H ASP A 66 11.064 0.441 5.107 1.00 0.00 H new ATOM 0 HA ASP A 66 12.648 0.603 3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.276 -1.797 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.823 -1.998 3.449 1.00 0.00 H new ATOM 1054 N VAL A 67 11.679 -2.238 2.178 1.00 0.00 N ATOM 1055 CA VAL A 67 11.259 -2.821 0.901 1.00 0.00 C ATOM 1056 C VAL A 67 10.707 -4.231 1.107 1.00 0.00 C ATOM 1057 O VAL A 67 11.360 -5.224 0.778 1.00 0.00 O ATOM 1058 CB VAL A 67 12.425 -2.869 -0.128 1.00 0.00 C ATOM 1059 CG1 VAL A 67 12.652 -1.504 -0.769 1.00 0.00 C ATOM 1060 CG2 VAL A 67 13.710 -3.380 0.521 1.00 0.00 C ATOM 0 H VAL A 67 11.779 -2.915 2.934 1.00 0.00 H new ATOM 0 HA VAL A 67 10.476 -2.177 0.501 1.00 0.00 H new ATOM 0 HB VAL A 67 12.141 -3.568 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.473 -1.569 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.745 -1.189 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.900 -0.776 0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 67 14.508 -3.403 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.994 -2.717 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.547 -4.385 0.910 1.00 0.00 H new ATOM 1070 N PRO A 68 9.481 -4.335 1.657 1.00 0.00 N ATOM 1071 CA PRO A 68 8.829 -5.624 1.909 1.00 0.00 C ATOM 1072 C PRO A 68 8.599 -6.439 0.643 1.00 0.00 C ATOM 1073 O PRO A 68 8.308 -7.635 0.716 1.00 0.00 O ATOM 1074 CB PRO A 68 7.479 -5.240 2.534 1.00 0.00 C ATOM 1075 CG PRO A 68 7.650 -3.840 3.007 1.00 0.00 C ATOM 1076 CD PRO A 68 8.637 -3.205 2.080 1.00 0.00 C ATOM 0 HA PRO A 68 9.451 -6.256 2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.673 -5.313 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.224 -5.905 3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.701 -3.305 2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.011 -3.818 4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.144 -2.731 1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.220 -2.433 2.581 1.00 0.00 H new ATOM 1084 N GLY A 69 8.679 -5.784 -0.517 1.00 0.00 N ATOM 1085 CA GLY A 69 8.421 -6.468 -1.769 1.00 0.00 C ATOM 1086 C GLY A 69 6.929 -6.536 -2.034 1.00 0.00 C ATOM 1087 O GLY A 69 6.491 -6.638 -3.181 1.00 0.00 O ATOM 0 H GLY A 69 8.917 -4.796 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.919 -5.946 -2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.837 -7.475 -1.734 1.00 0.00 H new ATOM 1091 N ASP A 70 6.153 -6.461 -0.946 1.00 0.00 N ATOM 1092 CA ASP A 70 4.705 -6.492 -1.012 1.00 0.00 C ATOM 1093 C ASP A 70 4.146 -5.109 -1.327 1.00 0.00 C ATOM 1094 O ASP A 70 3.014 -5.006 -1.792 1.00 0.00 O ATOM 1095 CB ASP A 70 4.117 -7.007 0.308 1.00 0.00 C ATOM 1096 CG ASP A 70 4.318 -8.500 0.490 1.00 0.00 C ATOM 1097 OD1 ASP A 70 3.440 -9.275 0.054 1.00 0.00 O ATOM 1098 OD2 ASP A 70 5.353 -8.894 1.068 1.00 0.00 O ATOM 0 H ASP A 70 6.522 -6.377 0.001 1.00 0.00 H new ATOM 0 HA ASP A 70 4.420 -7.172 -1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.581 -6.477 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.051 -6.780 0.340 1.00 0.00 H new ATOM 1103 N LEU A 71 4.937 -4.037 -1.112 1.00 0.00 N ATOM 1104 CA LEU A 71 4.444 -2.698 -1.438 1.00 0.00 C ATOM 1105 C LEU A 71 4.578 -2.482 -2.924 1.00 0.00 C ATOM 1106 O LEU A 71 3.637 -2.055 -3.585 1.00 0.00 O ATOM 1107 CB LEU A 71 5.185 -1.582 -0.688 1.00 0.00 C ATOM 1108 CG LEU A 71 5.159 -1.679 0.838 1.00 0.00 C ATOM 1109 CD1 LEU A 71 5.210 -0.286 1.461 1.00 0.00 C ATOM 1110 CD2 LEU A 71 3.920 -2.428 1.307 1.00 0.00 C ATOM 0 H LEU A 71 5.882 -4.074 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 71 3.402 -2.647 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.225 -1.577 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.754 -0.624 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 71 6.038 -2.236 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.191 -0.372 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.127 0.217 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.349 0.293 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.920 -2.486 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.027 -1.900 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.924 -3.435 0.890 1.00 0.00 H new ATOM 1122 N ARG A 72 5.754 -2.812 -3.448 1.00 0.00 N ATOM 1123 CA ARG A 72 6.016 -2.687 -4.877 1.00 0.00 C ATOM 1124 C ARG A 72 4.991 -3.507 -5.653 1.00 0.00 C ATOM 1125 O ARG A 72 4.238 -2.969 -6.460 1.00 0.00 O ATOM 1126 CB ARG A 72 7.433 -3.158 -5.200 1.00 0.00 C ATOM 1127 CG ARG A 72 8.011 -2.534 -6.460 1.00 0.00 C ATOM 1128 CD ARG A 72 8.572 -3.581 -7.413 1.00 0.00 C ATOM 1129 NE ARG A 72 9.634 -4.381 -6.798 1.00 0.00 N ATOM 1130 CZ ARG A 72 10.154 -5.485 -7.343 1.00 0.00 C ATOM 1131 NH1 ARG A 72 9.721 -5.929 -8.521 1.00 0.00 N ATOM 1132 NH2 ARG A 72 11.116 -6.146 -6.708 1.00 0.00 N ATOM 0 H ARG A 72 6.540 -3.168 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 72 5.931 -1.640 -5.169 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.085 -2.925 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.430 -4.242 -5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.236 -1.960 -6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.800 -1.833 -6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.767 -4.240 -7.740 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.962 -3.087 -8.303 1.00 0.00 H new ATOM 0 HE ARG A 72 10.000 -4.076 -5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.985 -5.425 -9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.125 -6.773 -8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.456 -5.811 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.514 -6.989 -7.122 1.00 0.00 H new ATOM 1146 N ALA A 73 4.981 -4.818 -5.401 1.00 0.00 N ATOM 1147 CA ALA A 73 4.048 -5.736 -6.072 1.00 0.00 C ATOM 1148 C ALA A 73 2.634 -5.167 -6.019 1.00 0.00 C ATOM 1149 O ALA A 73 1.819 -5.383 -6.918 1.00 0.00 O ATOM 1150 CB ALA A 73 4.096 -7.115 -5.427 1.00 0.00 C ATOM 0 H ALA A 73 5.608 -5.271 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 73 4.346 -5.841 -7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.399 -7.780 -5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.106 -7.518 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.818 -7.035 -4.376 1.00 0.00 H new ATOM 1156 N LYS A 74 2.384 -4.407 -4.958 1.00 0.00 N ATOM 1157 CA LYS A 74 1.102 -3.747 -4.751 1.00 0.00 C ATOM 1158 C LYS A 74 1.049 -2.486 -5.603 1.00 0.00 C ATOM 1159 O LYS A 74 0.021 -2.160 -6.195 1.00 0.00 O ATOM 1160 CB LYS A 74 0.902 -3.389 -3.277 1.00 0.00 C ATOM 1161 CG LYS A 74 -0.558 -3.325 -2.845 1.00 0.00 C ATOM 1162 CD LYS A 74 -1.163 -4.713 -2.670 1.00 0.00 C ATOM 1163 CE LYS A 74 -2.570 -4.647 -2.091 1.00 0.00 C ATOM 1164 NZ LYS A 74 -3.543 -4.048 -3.048 1.00 0.00 N ATOM 0 H LYS A 74 3.064 -4.232 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 74 0.303 -4.428 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.420 -4.125 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.370 -2.424 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.635 -2.775 -1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.132 -2.770 -3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.190 -5.222 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.527 -5.307 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.898 -5.651 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.557 -4.059 -1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.487 -4.023 -2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.245 -3.080 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.576 -4.622 -3.914 1.00 0.00 H new ATOM 1178 N VAL A 75 2.185 -1.791 -5.656 1.00 0.00 N ATOM 1179 CA VAL A 75 2.316 -0.565 -6.430 1.00 0.00 C ATOM 1180 C VAL A 75 2.232 -0.861 -7.917 1.00 0.00 C ATOM 1181 O VAL A 75 1.336 -0.368 -8.601 1.00 0.00 O ATOM 1182 CB VAL A 75 3.645 0.161 -6.111 1.00 0.00 C ATOM 1183 CG1 VAL A 75 3.863 1.367 -7.023 1.00 0.00 C ATOM 1184 CG2 VAL A 75 3.674 0.577 -4.650 1.00 0.00 C ATOM 0 H VAL A 75 3.036 -2.064 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 75 1.492 0.091 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 75 4.462 -0.536 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.806 1.850 -6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.893 1.037 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.045 2.075 -6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.613 1.087 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.841 1.250 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.589 -0.307 -4.018 1.00 0.00 H new ATOM 1194 N MET A 76 3.173 -1.662 -8.422 1.00 0.00 N ATOM 1195 CA MET A 76 3.196 -2.011 -9.844 1.00 0.00 C ATOM 1196 C MET A 76 1.839 -2.557 -10.276 1.00 0.00 C ATOM 1197 O MET A 76 1.279 -2.136 -11.288 1.00 0.00 O ATOM 1198 CB MET A 76 4.294 -3.036 -10.125 1.00 0.00 C ATOM 1199 CG MET A 76 5.705 -2.505 -9.914 1.00 0.00 C ATOM 1200 SD MET A 76 6.810 -2.868 -11.293 1.00 0.00 S ATOM 1201 CE MET A 76 6.955 -4.649 -11.158 1.00 0.00 C ATOM 0 H MET A 76 3.924 -2.079 -7.872 1.00 0.00 H new ATOM 0 HA MET A 76 3.409 -1.110 -10.419 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.142 -3.902 -9.480 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.198 -3.384 -11.154 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.662 -1.426 -9.764 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.117 -2.937 -9.002 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.741 -5.002 -11.826 1.00 0.00 H new ATOM 0 HE2 MET A 76 7.204 -4.917 -10.131 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.008 -5.113 -11.435 1.00 0.00 H new ATOM 1211 N GLY A 77 1.328 -3.499 -9.489 1.00 0.00 N ATOM 1212 CA GLY A 77 0.043 -4.111 -9.775 1.00 0.00 C ATOM 1213 C GLY A 77 -1.094 -3.111 -9.760 1.00 0.00 C ATOM 1214 O GLY A 77 -2.071 -3.280 -10.488 1.00 0.00 O ATOM 0 H GLY A 77 1.787 -3.852 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.084 -4.594 -10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.155 -4.892 -9.041 1.00 0.00 H new ATOM 1218 N ARG A 78 -0.960 -2.045 -8.958 1.00 0.00 N ATOM 1219 CA ARG A 78 -1.974 -1.009 -8.898 1.00 0.00 C ATOM 1220 C ARG A 78 -1.833 -0.116 -10.111 1.00 0.00 C ATOM 1221 O ARG A 78 -2.829 0.248 -10.730 1.00 0.00 O ATOM 1222 CB ARG A 78 -1.838 -0.182 -7.626 1.00 0.00 C ATOM 1223 CG ARG A 78 -2.604 -0.742 -6.439 1.00 0.00 C ATOM 1224 CD ARG A 78 -4.094 -0.455 -6.543 1.00 0.00 C ATOM 1225 NE ARG A 78 -4.582 0.343 -5.414 1.00 0.00 N ATOM 1226 CZ ARG A 78 -4.787 1.665 -5.452 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -4.548 2.366 -6.558 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -5.232 2.292 -4.368 1.00 0.00 N ATOM 0 H ARG A 78 -0.158 -1.887 -8.348 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.958 -1.477 -8.889 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.783 -0.110 -7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.187 0.831 -7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.444 -1.819 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.214 -0.310 -5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.297 0.074 -7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.642 -1.396 -6.585 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.779 -0.143 -4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.203 1.896 -7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.710 3.373 -6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.415 1.766 -3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.390 3.299 -4.390 1.00 0.00 H new ATOM 1242 N LEU A 79 -0.583 0.212 -10.481 1.00 0.00 N ATOM 1243 CA LEU A 79 -0.369 1.028 -11.665 1.00 0.00 C ATOM 1244 C LEU A 79 -0.927 0.262 -12.843 1.00 0.00 C ATOM 1245 O LEU A 79 -1.799 0.748 -13.557 1.00 0.00 O ATOM 1246 CB LEU A 79 1.110 1.355 -11.899 1.00 0.00 C ATOM 1247 CG LEU A 79 1.441 1.890 -13.307 1.00 0.00 C ATOM 1248 CD1 LEU A 79 0.431 2.948 -13.747 1.00 0.00 C ATOM 1249 CD2 LEU A 79 2.851 2.451 -13.355 1.00 0.00 C ATOM 0 H LEU A 79 0.264 -0.070 -9.988 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.872 1.986 -11.533 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.425 2.094 -11.162 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.699 0.455 -11.720 1.00 0.00 H new ATOM 0 HG LEU A 79 1.379 1.052 -14.002 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.690 3.306 -14.743 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.568 2.512 -13.767 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.449 3.782 -13.045 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.061 2.822 -14.358 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.942 3.268 -12.639 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.564 1.666 -13.102 1.00 0.00 H new ATOM 1261 N ASP A 80 -0.426 -0.960 -13.024 1.00 0.00 N ATOM 1262 CA ASP A 80 -0.883 -1.832 -14.096 1.00 0.00 C ATOM 1263 C ASP A 80 -2.413 -1.872 -14.112 1.00 0.00 C ATOM 1264 O ASP A 80 -3.030 -1.992 -15.170 1.00 0.00 O ATOM 1265 CB ASP A 80 -0.310 -3.244 -13.900 1.00 0.00 C ATOM 1266 CG ASP A 80 -0.734 -4.213 -14.990 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -0.023 -4.302 -16.014 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -1.774 -4.882 -14.819 1.00 0.00 O ATOM 0 H ASP A 80 0.301 -1.367 -12.436 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.533 -1.444 -15.053 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.778 -3.188 -13.874 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.632 -3.630 -12.933 1.00 0.00 H new ATOM 1273 N LEU A 81 -3.016 -1.725 -12.923 1.00 0.00 N ATOM 1274 CA LEU A 81 -4.451 -1.693 -12.777 1.00 0.00 C ATOM 1275 C LEU A 81 -4.974 -0.316 -13.181 1.00 0.00 C ATOM 1276 O LEU A 81 -5.998 -0.190 -13.845 1.00 0.00 O ATOM 1277 CB LEU A 81 -4.790 -1.959 -11.315 1.00 0.00 C ATOM 1278 CG LEU A 81 -6.124 -2.613 -11.054 1.00 0.00 C ATOM 1279 CD1 LEU A 81 -6.332 -2.752 -9.555 1.00 0.00 C ATOM 1280 CD2 LEU A 81 -7.251 -1.813 -11.695 1.00 0.00 C ATOM 0 H LEU A 81 -2.508 -1.626 -12.044 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.912 -2.449 -13.413 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.009 -2.590 -10.891 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.761 -1.011 -10.778 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.133 -3.606 -11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.295 -3.224 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.537 -3.366 -9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.313 -1.765 -9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.204 -2.302 -11.495 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.265 -0.806 -11.278 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.091 -1.758 -12.772 1.00 0.00 H new ATOM 1292 N ILE A 82 -4.235 0.710 -12.762 1.00 0.00 N ATOM 1293 CA ILE A 82 -4.581 2.097 -13.058 1.00 0.00 C ATOM 1294 C ILE A 82 -4.485 2.356 -14.564 1.00 0.00 C ATOM 1295 O ILE A 82 -5.445 2.812 -15.189 1.00 0.00 O ATOM 1296 CB ILE A 82 -3.655 3.083 -12.296 1.00 0.00 C ATOM 1297 CG1 ILE A 82 -3.949 3.043 -10.790 1.00 0.00 C ATOM 1298 CG2 ILE A 82 -3.806 4.502 -12.828 1.00 0.00 C ATOM 1299 CD1 ILE A 82 -2.780 3.474 -9.929 1.00 0.00 C ATOM 0 H ILE A 82 -3.384 0.603 -12.210 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.606 2.264 -12.726 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.624 2.769 -12.460 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.802 3.688 -10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.239 2.030 -10.512 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.145 5.170 -12.275 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.542 4.524 -13.885 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.838 4.829 -12.705 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.063 3.420 -8.878 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.931 2.814 -10.111 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.503 4.498 -10.178 1.00 0.00 H new ATOM 1311 N ARG A 83 -3.315 2.060 -15.133 1.00 0.00 N ATOM 1312 CA ARG A 83 -3.054 2.247 -16.561 1.00 0.00 C ATOM 1313 C ARG A 83 -3.992 1.406 -17.437 1.00 0.00 C ATOM 1314 O ARG A 83 -4.316 1.801 -18.558 1.00 0.00 O ATOM 1315 CB ARG A 83 -1.587 1.904 -16.858 1.00 0.00 C ATOM 1316 CG ARG A 83 -1.208 0.450 -16.603 1.00 0.00 C ATOM 1317 CD ARG A 83 -0.742 -0.222 -17.879 1.00 0.00 C ATOM 1318 NE ARG A 83 -0.922 -1.674 -17.844 1.00 0.00 N ATOM 1319 CZ ARG A 83 -0.794 -2.472 -18.908 1.00 0.00 C ATOM 1320 NH1 ARG A 83 -0.480 -1.969 -20.100 1.00 0.00 N ATOM 1321 NH2 ARG A 83 -0.978 -3.781 -18.779 1.00 0.00 N ATOM 0 H ARG A 83 -2.521 1.683 -14.616 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.246 3.291 -16.806 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.376 2.143 -17.900 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.948 2.544 -16.249 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.418 0.403 -15.853 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.065 -0.087 -16.197 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.293 0.189 -18.725 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.311 0.007 -18.043 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.160 -2.104 -16.950 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.335 -0.965 -20.208 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.385 -2.587 -20.906 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.217 -4.175 -17.869 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.881 -4.392 -19.590 1.00 0.00 H new ATOM 1335 N SER A 84 -4.415 0.248 -16.924 1.00 0.00 N ATOM 1336 CA SER A 84 -5.305 -0.647 -17.660 1.00 0.00 C ATOM 1337 C SER A 84 -6.641 -0.851 -16.932 1.00 0.00 C ATOM 1338 O SER A 84 -7.273 -1.900 -17.070 1.00 0.00 O ATOM 1339 CB SER A 84 -4.617 -1.997 -17.886 1.00 0.00 C ATOM 1340 OG SER A 84 -5.217 -2.703 -18.958 1.00 0.00 O ATOM 0 H SER A 84 -4.153 -0.091 -15.998 1.00 0.00 H new ATOM 0 HA SER A 84 -5.523 -0.182 -18.622 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.560 -1.839 -18.098 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.674 -2.594 -16.976 1.00 0.00 H new ATOM 0 HG SER A 84 -6.183 -2.771 -18.805 1.00 0.00 H new ATOM 1346 N GLY A 85 -7.068 0.152 -16.160 1.00 0.00 N ATOM 1347 CA GLY A 85 -8.323 0.047 -15.432 1.00 0.00 C ATOM 1348 C GLY A 85 -8.864 1.392 -14.979 1.00 0.00 C ATOM 1349 O GLY A 85 -8.776 2.379 -15.714 1.00 0.00 O ATOM 0 H GLY A 85 -6.568 1.031 -16.028 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.064 -0.441 -16.065 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.178 -0.592 -14.561 1.00 0.00 H new ATOM 1353 N GLN A 86 -9.442 1.429 -13.773 1.00 0.00 N ATOM 1354 CA GLN A 86 -10.018 2.648 -13.227 1.00 0.00 C ATOM 1355 C GLN A 86 -9.684 2.787 -11.737 1.00 0.00 C ATOM 1356 O GLN A 86 -8.674 2.259 -11.268 1.00 0.00 O ATOM 1357 CB GLN A 86 -11.538 2.633 -13.438 1.00 0.00 C ATOM 1358 CG GLN A 86 -11.959 2.301 -14.862 1.00 0.00 C ATOM 1359 CD GLN A 86 -13.465 2.347 -15.054 1.00 0.00 C ATOM 1360 OE1 GLN A 86 -14.019 3.370 -15.455 1.00 0.00 O ATOM 1361 NE2 GLN A 86 -14.137 1.235 -14.770 1.00 0.00 N ATOM 0 H GLN A 86 -9.520 0.619 -13.158 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.591 3.506 -13.747 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.982 1.905 -12.759 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.942 3.609 -13.168 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.488 3.004 -15.549 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.594 1.307 -15.122 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.639 0.408 -14.440 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -15.150 1.209 -14.882 1.00 0.00 H new ATOM 1370 N SER A 87 -10.544 3.495 -10.999 1.00 0.00 N ATOM 1371 CA SER A 87 -10.353 3.698 -9.563 1.00 0.00 C ATOM 1372 C SER A 87 -10.497 2.372 -8.822 1.00 0.00 C ATOM 1373 O SER A 87 -11.439 1.616 -9.072 1.00 0.00 O ATOM 1374 CB SER A 87 -11.364 4.716 -9.024 1.00 0.00 C ATOM 1375 OG SER A 87 -10.984 5.182 -7.740 1.00 0.00 O ATOM 0 H SER A 87 -11.382 3.938 -11.376 1.00 0.00 H new ATOM 0 HA SER A 87 -9.349 4.088 -9.399 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.439 5.558 -9.712 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.352 4.259 -8.971 1.00 0.00 H new ATOM 0 HG SER A 87 -11.644 5.831 -7.419 1.00 0.00 H new ATOM 1381 N VAL A 88 -9.552 2.084 -7.931 1.00 0.00 N ATOM 1382 CA VAL A 88 -9.567 0.833 -7.179 1.00 0.00 C ATOM 1383 C VAL A 88 -8.906 0.988 -5.811 1.00 0.00 C ATOM 1384 O VAL A 88 -7.703 0.781 -5.642 1.00 0.00 O ATOM 1385 CB VAL A 88 -8.870 -0.291 -7.971 1.00 0.00 C ATOM 1386 CG1 VAL A 88 -9.806 -0.879 -9.023 1.00 0.00 C ATOM 1387 CG2 VAL A 88 -7.598 0.247 -8.611 1.00 0.00 C ATOM 0 H VAL A 88 -8.768 2.699 -7.713 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.612 0.565 -7.024 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.605 -1.095 -7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.290 -1.670 -9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.689 -1.291 -8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.108 -0.097 -9.719 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.107 -0.549 -9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.849 1.064 -9.287 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.926 0.612 -7.834 1.00 0.00 H new