USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 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 47 THR OG1 : rot 180:sc= -0.0196 USER MOD Set 1.2: A 48 GLN : amide:sc= 0.974 K(o=0.95,f=-6.8!) USER MOD Single : A 12 THR OG1 : rot 26:sc= 0.0944 USER MOD Single : A 14 TYR OH : rot 124:sc= 0.193 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0274 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -3.03! C(o=-3!,f=-4.5!) USER MOD Single : A 23 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.55) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -0.0273 (180deg=-0.223) USER MOD Single : A 29 THR OG1 : rot -108:sc= 1.16 USER MOD Single : A 30 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.0063) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 57 ASN : amide:sc= -0.502 K(o=-0.5,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.609 12.187 -5.256 1.00 0.00 N ATOM 151 CA THR A 12 0.180 11.072 -4.747 1.00 0.00 C ATOM 152 C THR A 12 -0.138 9.785 -5.500 1.00 0.00 C ATOM 153 O THR A 12 -1.226 9.633 -6.056 1.00 0.00 O ATOM 154 CB THR A 12 -0.069 10.849 -3.243 1.00 0.00 C ATOM 155 OG1 THR A 12 0.206 12.052 -2.517 1.00 0.00 O ATOM 156 CG2 THR A 12 0.803 9.720 -2.713 1.00 0.00 C ATOM 0 HA THR A 12 1.228 11.330 -4.900 1.00 0.00 H new ATOM 0 HB THR A 12 -1.115 10.575 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.085 12.825 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.611 9.580 -1.649 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.571 8.799 -3.248 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.853 9.971 -2.862 1.00 0.00 H new ATOM 164 N ILE A 13 0.818 8.862 -5.513 1.00 0.00 N ATOM 165 CA ILE A 13 0.638 7.587 -6.197 1.00 0.00 C ATOM 166 C ILE A 13 -0.735 6.994 -5.901 1.00 0.00 C ATOM 167 O ILE A 13 -1.241 6.165 -6.659 1.00 0.00 O ATOM 168 CB ILE A 13 1.722 6.572 -5.789 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.115 7.175 -5.982 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.577 5.290 -6.595 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.213 8.099 -7.175 1.00 0.00 C ATOM 0 H ILE A 13 1.724 8.973 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 13 0.722 7.787 -7.265 1.00 0.00 H new ATOM 0 HB ILE A 13 1.595 6.331 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.392 7.725 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.839 6.368 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.350 4.582 -6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.595 4.854 -6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.682 5.514 -7.657 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.228 8.490 -7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.968 7.548 -8.083 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.514 8.926 -7.053 1.00 0.00 H new ATOM 183 N TYR A 14 -1.335 7.426 -4.798 1.00 0.00 N ATOM 184 CA TYR A 14 -2.650 6.937 -4.401 1.00 0.00 C ATOM 185 C TYR A 14 -3.508 8.070 -3.848 1.00 0.00 C ATOM 186 O TYR A 14 -2.992 9.045 -3.302 1.00 0.00 O ATOM 187 CB TYR A 14 -2.512 5.829 -3.356 1.00 0.00 C ATOM 188 CG TYR A 14 -2.052 4.508 -3.930 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.726 4.311 -4.294 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.944 3.457 -4.108 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.301 3.106 -4.820 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.528 2.249 -4.632 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.206 2.078 -4.987 1.00 0.00 C ATOM 194 OH TYR A 14 -0.786 0.876 -5.509 1.00 0.00 O ATOM 0 H TYR A 14 -0.932 8.114 -4.162 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.141 6.532 -5.286 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.805 6.149 -2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.473 5.686 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.015 5.113 -4.164 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.980 3.587 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.733 2.970 -5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.234 1.442 -4.763 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.003 0.154 -4.883 1.00 0.00 H new ATOM 204 N SER A 15 -4.823 7.933 -3.992 1.00 0.00 N ATOM 205 CA SER A 15 -5.754 8.946 -3.510 1.00 0.00 C ATOM 206 C SER A 15 -5.919 8.856 -1.996 1.00 0.00 C ATOM 207 O SER A 15 -5.676 7.809 -1.395 1.00 0.00 O ATOM 208 CB SER A 15 -7.114 8.786 -4.192 1.00 0.00 C ATOM 209 OG SER A 15 -8.049 9.727 -3.695 1.00 0.00 O ATOM 0 H SER A 15 -5.267 7.130 -4.438 1.00 0.00 H new ATOM 0 HA SER A 15 -5.345 9.926 -3.756 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.002 8.915 -5.269 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.489 7.776 -4.029 1.00 0.00 H new ATOM 0 HG SER A 15 -8.909 9.604 -4.148 1.00 0.00 H new ATOM 215 N SER A 16 -6.333 9.962 -1.385 1.00 0.00 N ATOM 216 CA SER A 16 -6.527 10.010 0.060 1.00 0.00 C ATOM 217 C SER A 16 -7.523 8.946 0.510 1.00 0.00 C ATOM 218 O SER A 16 -7.384 8.364 1.586 1.00 0.00 O ATOM 219 CB SER A 16 -7.016 11.396 0.484 1.00 0.00 C ATOM 220 OG SER A 16 -8.159 11.783 -0.260 1.00 0.00 O ATOM 0 H SER A 16 -6.540 10.836 -1.868 1.00 0.00 H new ATOM 0 HA SER A 16 -5.568 9.809 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.255 11.391 1.547 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.220 12.126 0.339 1.00 0.00 H new ATOM 0 HG SER A 16 -8.453 12.671 0.031 1.00 0.00 H new ATOM 226 N PHE A 17 -8.530 8.698 -0.321 1.00 0.00 N ATOM 227 CA PHE A 17 -9.552 7.705 -0.010 1.00 0.00 C ATOM 228 C PHE A 17 -8.955 6.301 0.021 1.00 0.00 C ATOM 229 O PHE A 17 -9.157 5.551 0.975 1.00 0.00 O ATOM 230 CB PHE A 17 -10.684 7.768 -1.037 1.00 0.00 C ATOM 231 CG PHE A 17 -11.476 6.495 -1.135 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.196 6.026 -0.048 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.500 5.768 -2.314 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.924 4.855 -0.135 1.00 0.00 C ATOM 235 CE2 PHE A 17 -12.228 4.596 -2.407 1.00 0.00 C ATOM 236 CZ PHE A 17 -12.941 4.140 -1.317 1.00 0.00 C ATOM 0 H PHE A 17 -8.660 9.171 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.954 7.931 0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.356 8.585 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.264 8.001 -2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.188 6.582 0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.944 6.121 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.479 4.499 0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.239 4.038 -3.332 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.511 3.226 -1.388 1.00 0.00 H new ATOM 246 N GLN A 18 -8.219 5.954 -1.031 1.00 0.00 N ATOM 247 CA GLN A 18 -7.594 4.641 -1.125 1.00 0.00 C ATOM 248 C GLN A 18 -6.519 4.471 -0.057 1.00 0.00 C ATOM 249 O GLN A 18 -6.366 3.393 0.519 1.00 0.00 O ATOM 250 CB GLN A 18 -6.985 4.441 -2.515 1.00 0.00 C ATOM 251 CG GLN A 18 -8.019 4.374 -3.628 1.00 0.00 C ATOM 252 CD GLN A 18 -7.389 4.283 -5.004 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.229 4.649 -5.194 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.152 3.792 -5.973 1.00 0.00 N ATOM 0 H GLN A 18 -8.042 6.564 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.365 3.888 -0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.294 5.258 -2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.400 3.521 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.663 3.509 -3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.655 5.258 -3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.108 3.501 -5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.782 3.706 -6.920 1.00 0.00 H new ATOM 263 N LEU A 19 -5.777 5.542 0.203 1.00 0.00 N ATOM 264 CA LEU A 19 -4.714 5.512 1.202 1.00 0.00 C ATOM 265 C LEU A 19 -5.293 5.376 2.607 1.00 0.00 C ATOM 266 O LEU A 19 -4.966 4.440 3.336 1.00 0.00 O ATOM 267 CB LEU A 19 -3.863 6.780 1.109 1.00 0.00 C ATOM 268 CG LEU A 19 -2.678 6.723 0.144 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.977 8.070 0.081 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.703 5.631 0.561 1.00 0.00 C ATOM 0 H LEU A 19 -5.892 6.442 -0.264 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.085 4.645 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.509 7.606 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.485 7.014 2.104 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.055 6.485 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.136 8.011 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.678 8.829 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.613 8.337 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.866 5.605 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.332 5.838 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.212 4.667 0.554 1.00 0.00 H new ATOM 282 N ALA A 20 -6.155 6.316 2.980 1.00 0.00 N ATOM 283 CA ALA A 20 -6.783 6.299 4.295 1.00 0.00 C ATOM 284 C ALA A 20 -7.081 4.872 4.743 1.00 0.00 C ATOM 285 O ALA A 20 -6.941 4.539 5.919 1.00 0.00 O ATOM 286 CB ALA A 20 -8.058 7.128 4.282 1.00 0.00 C ATOM 0 H ALA A 20 -6.434 7.099 2.389 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.086 6.737 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.516 7.106 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.820 8.158 4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.753 6.715 3.551 1.00 0.00 H new ATOM 292 N ALA A 21 -7.495 4.035 3.797 1.00 0.00 N ATOM 293 CA ALA A 21 -7.813 2.644 4.095 1.00 0.00 C ATOM 294 C ALA A 21 -6.559 1.776 4.063 1.00 0.00 C ATOM 295 O ALA A 21 -6.373 0.904 4.913 1.00 0.00 O ATOM 296 CB ALA A 21 -8.847 2.117 3.111 1.00 0.00 C ATOM 0 H ALA A 21 -7.618 4.296 2.819 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.229 2.599 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.075 1.077 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.756 2.714 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.451 2.182 2.098 1.00 0.00 H new ATOM 302 N LEU A 22 -5.702 2.019 3.078 1.00 0.00 N ATOM 303 CA LEU A 22 -4.465 1.259 2.934 1.00 0.00 C ATOM 304 C LEU A 22 -3.579 1.423 4.166 1.00 0.00 C ATOM 305 O LEU A 22 -3.193 0.441 4.799 1.00 0.00 O ATOM 306 CB LEU A 22 -3.708 1.710 1.684 1.00 0.00 C ATOM 307 CG LEU A 22 -4.243 1.187 0.350 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.467 1.790 -0.810 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.176 -0.332 0.307 1.00 0.00 C ATOM 0 H LEU A 22 -5.841 2.737 2.367 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.725 0.205 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.714 2.800 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.668 1.400 1.782 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.287 1.487 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.862 1.406 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.568 2.875 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.414 1.522 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.561 -0.686 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.141 -0.654 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.778 -0.746 1.116 1.00 0.00 H new ATOM 321 N GLN A 23 -3.264 2.670 4.499 1.00 0.00 N ATOM 322 CA GLN A 23 -2.425 2.962 5.656 1.00 0.00 C ATOM 323 C GLN A 23 -3.067 2.443 6.938 1.00 0.00 C ATOM 324 O GLN A 23 -2.372 2.070 7.884 1.00 0.00 O ATOM 325 CB GLN A 23 -2.180 4.468 5.767 1.00 0.00 C ATOM 326 CG GLN A 23 -1.113 4.983 4.814 1.00 0.00 C ATOM 327 CD GLN A 23 -0.647 6.383 5.162 1.00 0.00 C ATOM 328 OE1 GLN A 23 -0.438 6.708 6.331 1.00 0.00 O ATOM 329 NE2 GLN A 23 -0.480 7.221 4.146 1.00 0.00 N ATOM 0 H GLN A 23 -3.576 3.494 3.985 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.470 2.455 5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.114 4.995 5.572 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.887 4.706 6.790 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.259 4.305 4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.506 4.977 3.797 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.665 6.910 3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.167 8.176 4.319 1.00 0.00 H new ATOM 338 N ARG A 24 -4.395 2.423 6.963 1.00 0.00 N ATOM 339 CA ARG A 24 -5.130 1.951 8.131 1.00 0.00 C ATOM 340 C ARG A 24 -4.958 0.446 8.310 1.00 0.00 C ATOM 341 O ARG A 24 -4.855 -0.048 9.433 1.00 0.00 O ATOM 342 CB ARG A 24 -6.615 2.293 7.997 1.00 0.00 C ATOM 343 CG ARG A 24 -7.514 1.468 8.904 1.00 0.00 C ATOM 344 CD ARG A 24 -8.786 2.221 9.262 1.00 0.00 C ATOM 345 NE ARG A 24 -9.562 1.528 10.287 1.00 0.00 N ATOM 346 CZ ARG A 24 -10.488 2.120 11.033 1.00 0.00 C ATOM 347 NH1 ARG A 24 -10.752 3.409 10.870 1.00 0.00 N ATOM 348 NH2 ARG A 24 -11.152 1.422 11.945 1.00 0.00 N ATOM 0 H ARG A 24 -4.984 2.728 6.188 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.726 2.452 9.011 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.758 3.350 8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.922 2.143 6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.771 0.532 8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.974 1.209 9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.529 3.220 9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.397 2.347 8.368 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.383 0.535 10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.243 3.949 10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.464 3.860 11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.952 0.430 12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.863 1.877 12.518 1.00 0.00 H new ATOM 362 N ARG A 25 -4.928 -0.278 7.195 1.00 0.00 N ATOM 363 CA ARG A 25 -4.770 -1.727 7.229 1.00 0.00 C ATOM 364 C ARG A 25 -3.308 -2.110 7.436 1.00 0.00 C ATOM 365 O ARG A 25 -3.000 -3.063 8.152 1.00 0.00 O ATOM 366 CB ARG A 25 -5.293 -2.348 5.933 1.00 0.00 C ATOM 367 CG ARG A 25 -5.223 -3.867 5.914 1.00 0.00 C ATOM 368 CD ARG A 25 -6.371 -4.487 6.694 1.00 0.00 C ATOM 369 NE ARG A 25 -6.743 -5.799 6.170 1.00 0.00 N ATOM 370 CZ ARG A 25 -7.571 -6.631 6.792 1.00 0.00 C ATOM 371 NH1 ARG A 25 -8.110 -6.289 7.954 1.00 0.00 N ATOM 372 NH2 ARG A 25 -7.861 -7.807 6.252 1.00 0.00 N ATOM 0 H ARG A 25 -5.011 0.115 6.258 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.350 -2.111 8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.327 -2.038 5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.718 -1.956 5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.249 -4.221 4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.274 -4.194 6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.087 -4.582 7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.235 -3.823 6.657 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.345 -6.092 5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.889 -5.385 8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.745 -6.930 8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.448 -8.073 5.358 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.497 -8.445 6.731 1.00 0.00 H new ATOM 386 N PHE A 26 -2.411 -1.361 6.803 1.00 0.00 N ATOM 387 CA PHE A 26 -0.980 -1.623 6.916 1.00 0.00 C ATOM 388 C PHE A 26 -0.586 -1.871 8.369 1.00 0.00 C ATOM 389 O PHE A 26 -0.028 -2.917 8.700 1.00 0.00 O ATOM 390 CB PHE A 26 -0.179 -0.447 6.353 1.00 0.00 C ATOM 391 CG PHE A 26 1.252 -0.787 6.051 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.566 -1.859 5.232 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.284 -0.034 6.588 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.883 -2.175 4.953 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.603 -0.344 6.312 1.00 0.00 C ATOM 396 CZ PHE A 26 3.902 -1.416 5.494 1.00 0.00 C ATOM 0 H PHE A 26 -2.649 -0.568 6.207 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.753 -2.519 6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.660 -0.093 5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.206 0.376 7.067 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.773 -2.455 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.056 0.804 7.229 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.114 -3.014 4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.398 0.251 6.736 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.932 -1.660 5.278 1.00 0.00 H new ATOM 406 N GLN A 27 -0.880 -0.902 9.230 1.00 0.00 N ATOM 407 CA GLN A 27 -0.555 -1.016 10.647 1.00 0.00 C ATOM 408 C GLN A 27 -1.147 -2.289 11.241 1.00 0.00 C ATOM 409 O GLN A 27 -0.509 -2.966 12.048 1.00 0.00 O ATOM 410 CB GLN A 27 -1.072 0.205 11.409 1.00 0.00 C ATOM 411 CG GLN A 27 -2.569 0.425 11.263 1.00 0.00 C ATOM 412 CD GLN A 27 -3.015 1.775 11.788 1.00 0.00 C ATOM 413 OE1 GLN A 27 -2.965 2.779 11.076 1.00 0.00 O ATOM 414 NE2 GLN A 27 -3.454 1.808 13.041 1.00 0.00 N ATOM 0 H GLN A 27 -1.342 -0.030 8.972 1.00 0.00 H new ATOM 0 HA GLN A 27 0.530 -1.063 10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.831 0.092 12.466 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.547 1.092 11.056 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.844 0.340 10.212 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.102 -0.362 11.797 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.479 0.952 13.595 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.767 2.689 13.449 1.00 0.00 H new ATOM 423 N LYS A 28 -2.371 -2.611 10.837 1.00 0.00 N ATOM 424 CA LYS A 28 -3.051 -3.804 11.328 1.00 0.00 C ATOM 425 C LYS A 28 -2.265 -5.062 10.974 1.00 0.00 C ATOM 426 O LYS A 28 -2.057 -5.935 11.817 1.00 0.00 O ATOM 427 CB LYS A 28 -4.462 -3.889 10.743 1.00 0.00 C ATOM 428 CG LYS A 28 -5.322 -4.965 11.383 1.00 0.00 C ATOM 429 CD LYS A 28 -6.692 -5.046 10.731 1.00 0.00 C ATOM 430 CE LYS A 28 -7.708 -5.710 11.648 1.00 0.00 C ATOM 431 NZ LYS A 28 -8.061 -4.841 12.805 1.00 0.00 N ATOM 0 H LYS A 28 -2.913 -2.062 10.170 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.119 -3.733 12.414 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.954 -2.924 10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.391 -4.081 9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.821 -5.929 11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.436 -4.756 12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.033 -4.043 10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.620 -5.607 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.609 -5.945 11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.305 -6.655 12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.968 -5.151 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.318 -4.910 13.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.143 -3.855 12.486 1.00 0.00 H new ATOM 445 N THR A 29 -1.830 -5.149 9.721 1.00 0.00 N ATOM 446 CA THR A 29 -1.067 -6.300 9.255 1.00 0.00 C ATOM 447 C THR A 29 -0.343 -5.989 7.950 1.00 0.00 C ATOM 448 O THR A 29 -0.957 -5.546 6.980 1.00 0.00 O ATOM 449 CB THR A 29 -1.974 -7.528 9.045 1.00 0.00 C ATOM 450 OG1 THR A 29 -1.263 -8.546 8.333 1.00 0.00 O ATOM 451 CG2 THR A 29 -3.230 -7.147 8.275 1.00 0.00 C ATOM 0 H THR A 29 -1.993 -4.436 9.010 1.00 0.00 H new ATOM 0 HA THR A 29 -0.334 -6.527 10.029 1.00 0.00 H new ATOM 0 HB THR A 29 -2.267 -7.907 10.024 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.610 -8.609 7.419 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.855 -8.030 8.139 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.784 -6.393 8.833 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.952 -6.746 7.301 1.00 0.00 H new ATOM 459 N GLN A 30 0.965 -6.223 7.935 1.00 0.00 N ATOM 460 CA GLN A 30 1.773 -5.966 6.748 1.00 0.00 C ATOM 461 C GLN A 30 1.464 -6.979 5.650 1.00 0.00 C ATOM 462 O GLN A 30 1.586 -6.679 4.462 1.00 0.00 O ATOM 463 CB GLN A 30 3.261 -6.013 7.097 1.00 0.00 C ATOM 464 CG GLN A 30 3.778 -4.732 7.730 1.00 0.00 C ATOM 465 CD GLN A 30 3.659 -4.737 9.241 1.00 0.00 C ATOM 466 OE1 GLN A 30 3.010 -3.870 9.828 1.00 0.00 O ATOM 467 NE2 GLN A 30 4.286 -5.717 9.881 1.00 0.00 N ATOM 0 H GLN A 30 1.488 -6.590 8.730 1.00 0.00 H new ATOM 0 HA GLN A 30 1.525 -4.970 6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.439 -6.844 7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.832 -6.217 6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.822 -4.590 7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.223 -3.884 7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.813 -6.415 9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.241 -5.772 10.899 1.00 0.00 H new ATOM 476 N TYR A 31 1.064 -8.179 6.055 1.00 0.00 N ATOM 477 CA TYR A 31 0.740 -9.238 5.106 1.00 0.00 C ATOM 478 C TYR A 31 -0.760 -9.514 5.089 1.00 0.00 C ATOM 479 O TYR A 31 -1.382 -9.697 6.136 1.00 0.00 O ATOM 480 CB TYR A 31 1.502 -10.517 5.457 1.00 0.00 C ATOM 481 CG TYR A 31 3.004 -10.355 5.423 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.689 -9.810 6.502 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.740 -10.749 4.312 1.00 0.00 C ATOM 484 CE1 TYR A 31 5.062 -9.660 6.475 1.00 0.00 C ATOM 485 CE2 TYR A 31 5.114 -10.604 4.277 1.00 0.00 C ATOM 486 CZ TYR A 31 5.770 -10.059 5.361 1.00 0.00 C ATOM 487 OH TYR A 31 7.138 -9.912 5.331 1.00 0.00 O ATOM 0 H TYR A 31 0.956 -8.443 7.034 1.00 0.00 H new ATOM 0 HA TYR A 31 1.041 -8.905 4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.203 -10.847 6.452 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.214 -11.304 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.138 -9.498 7.377 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.230 -11.176 3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.578 -9.232 7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.671 -10.916 3.406 1.00 0.00 H new ATOM 0 HH TYR A 31 7.484 -10.243 4.476 1.00 0.00 H new ATOM 497 N LEU A 32 -1.336 -9.543 3.892 1.00 0.00 N ATOM 498 CA LEU A 32 -2.764 -9.798 3.736 1.00 0.00 C ATOM 499 C LEU A 32 -3.007 -11.154 3.080 1.00 0.00 C ATOM 500 O LEU A 32 -2.301 -11.539 2.148 1.00 0.00 O ATOM 501 CB LEU A 32 -3.411 -8.692 2.901 1.00 0.00 C ATOM 502 CG LEU A 32 -3.408 -7.294 3.521 1.00 0.00 C ATOM 503 CD1 LEU A 32 -3.817 -6.252 2.491 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.333 -7.244 4.729 1.00 0.00 C ATOM 0 H LEU A 32 -0.836 -9.393 3.016 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.216 -9.809 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.898 -8.643 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.444 -8.975 2.697 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.395 -7.068 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.809 -5.264 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.116 -6.270 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.820 -6.475 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.318 -6.242 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.349 -7.492 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.995 -7.963 5.476 1.00 0.00 H new ATOM 516 N ALA A 33 -4.010 -11.872 3.573 1.00 0.00 N ATOM 517 CA ALA A 33 -4.349 -13.183 3.032 1.00 0.00 C ATOM 518 C ALA A 33 -4.965 -13.061 1.642 1.00 0.00 C ATOM 519 O ALA A 33 -5.100 -11.960 1.106 1.00 0.00 O ATOM 520 CB ALA A 33 -5.299 -13.912 3.970 1.00 0.00 C ATOM 0 H ALA A 33 -4.602 -11.568 4.346 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.429 -13.761 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.543 -14.889 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.823 -14.041 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.212 -13.329 4.088 1.00 0.00 H new ATOM 526 N LEU A 34 -5.337 -14.197 1.063 1.00 0.00 N ATOM 527 CA LEU A 34 -5.939 -14.218 -0.265 1.00 0.00 C ATOM 528 C LEU A 34 -7.181 -13.334 -0.314 1.00 0.00 C ATOM 529 O LEU A 34 -7.260 -12.373 -1.079 1.00 0.00 O ATOM 530 CB LEU A 34 -6.302 -15.650 -0.660 1.00 0.00 C ATOM 531 CG LEU A 34 -7.545 -15.810 -1.536 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.266 -15.331 -2.952 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.009 -17.260 -1.543 1.00 0.00 C ATOM 0 H LEU A 34 -5.232 -15.116 1.493 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.209 -13.827 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.453 -16.087 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.447 -16.231 0.251 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.342 -15.196 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.162 -15.453 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.982 -14.279 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.454 -15.918 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.895 -17.356 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.215 -17.894 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.250 -17.570 -0.526 1.00 0.00 H new ATOM 545 N PRO A 35 -8.176 -13.665 0.523 1.00 0.00 N ATOM 546 CA PRO A 35 -9.432 -12.912 0.596 1.00 0.00 C ATOM 547 C PRO A 35 -9.244 -11.529 1.210 1.00 0.00 C ATOM 548 O PRO A 35 -9.999 -10.603 0.916 1.00 0.00 O ATOM 549 CB PRO A 35 -10.314 -13.781 1.496 1.00 0.00 C ATOM 550 CG PRO A 35 -9.355 -14.558 2.331 1.00 0.00 C ATOM 551 CD PRO A 35 -8.151 -14.798 1.462 1.00 0.00 C ATOM 0 HA PRO A 35 -9.856 -12.729 -0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.972 -13.170 2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.951 -14.441 0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.083 -14.005 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.795 -15.500 2.657 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.231 -14.815 2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.216 -15.753 0.941 1.00 0.00 H new ATOM 559 N GLU A 36 -8.232 -11.397 2.062 1.00 0.00 N ATOM 560 CA GLU A 36 -7.946 -10.126 2.716 1.00 0.00 C ATOM 561 C GLU A 36 -7.496 -9.080 1.700 1.00 0.00 C ATOM 562 O GLU A 36 -7.838 -7.902 1.813 1.00 0.00 O ATOM 563 CB GLU A 36 -6.869 -10.309 3.787 1.00 0.00 C ATOM 564 CG GLU A 36 -7.415 -10.776 5.126 1.00 0.00 C ATOM 565 CD GLU A 36 -8.215 -12.059 5.014 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.257 -12.052 4.325 1.00 0.00 O ATOM 567 OE2 GLU A 36 -7.799 -13.071 5.616 1.00 0.00 O ATOM 0 H GLU A 36 -7.597 -12.154 2.315 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.863 -9.776 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.134 -11.032 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.344 -9.364 3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.587 -10.928 5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.046 -9.995 5.549 1.00 0.00 H new ATOM 574 N ARG A 37 -6.727 -9.519 0.709 1.00 0.00 N ATOM 575 CA ARG A 37 -6.228 -8.621 -0.326 1.00 0.00 C ATOM 576 C ARG A 37 -7.362 -8.154 -1.233 1.00 0.00 C ATOM 577 O ARG A 37 -7.592 -6.955 -1.389 1.00 0.00 O ATOM 578 CB ARG A 37 -5.149 -9.317 -1.157 1.00 0.00 C ATOM 579 CG ARG A 37 -4.307 -8.361 -1.986 1.00 0.00 C ATOM 580 CD ARG A 37 -3.465 -9.104 -3.011 1.00 0.00 C ATOM 581 NE ARG A 37 -4.110 -10.336 -3.459 1.00 0.00 N ATOM 582 CZ ARG A 37 -4.011 -11.493 -2.815 1.00 0.00 C ATOM 583 NH1 ARG A 37 -3.297 -11.577 -1.701 1.00 0.00 N ATOM 584 NH2 ARG A 37 -4.626 -12.571 -3.285 1.00 0.00 N ATOM 0 H ARG A 37 -6.436 -10.491 0.601 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.794 -7.748 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.495 -9.879 -0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.624 -10.039 -1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.957 -7.650 -2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.656 -7.784 -1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.284 -8.457 -3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.493 -9.340 -2.579 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.667 -10.306 -4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.822 -10.751 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.223 -12.467 -1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.176 -12.512 -4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.549 -13.459 -2.789 1.00 0.00 H new ATOM 598 N ALA A 38 -8.068 -9.109 -1.830 1.00 0.00 N ATOM 599 CA ALA A 38 -9.179 -8.795 -2.720 1.00 0.00 C ATOM 600 C ALA A 38 -10.122 -7.780 -2.084 1.00 0.00 C ATOM 601 O ALA A 38 -10.782 -7.011 -2.782 1.00 0.00 O ATOM 602 CB ALA A 38 -9.935 -10.064 -3.087 1.00 0.00 C ATOM 0 H ALA A 38 -7.890 -10.107 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.771 -8.352 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.762 -9.815 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.260 -10.757 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.325 -10.530 -2.182 1.00 0.00 H new ATOM 608 N GLU A 39 -10.181 -7.785 -0.756 1.00 0.00 N ATOM 609 CA GLU A 39 -11.046 -6.864 -0.027 1.00 0.00 C ATOM 610 C GLU A 39 -10.681 -5.415 -0.335 1.00 0.00 C ATOM 611 O GLU A 39 -11.518 -4.636 -0.794 1.00 0.00 O ATOM 612 CB GLU A 39 -10.944 -7.118 1.479 1.00 0.00 C ATOM 613 CG GLU A 39 -12.211 -6.769 2.242 1.00 0.00 C ATOM 614 CD GLU A 39 -12.628 -5.324 2.050 1.00 0.00 C ATOM 615 OE1 GLU A 39 -13.394 -5.049 1.103 1.00 0.00 O ATOM 616 OE2 GLU A 39 -12.189 -4.468 2.846 1.00 0.00 O ATOM 0 H GLU A 39 -9.641 -8.416 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.073 -7.038 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.707 -8.169 1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.115 -6.536 1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.019 -7.423 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.056 -6.960 3.304 1.00 0.00 H new ATOM 623 N LEU A 40 -9.426 -5.060 -0.080 1.00 0.00 N ATOM 624 CA LEU A 40 -8.949 -3.704 -0.330 1.00 0.00 C ATOM 625 C LEU A 40 -9.089 -3.341 -1.805 1.00 0.00 C ATOM 626 O LEU A 40 -9.460 -2.218 -2.145 1.00 0.00 O ATOM 627 CB LEU A 40 -7.489 -3.569 0.104 1.00 0.00 C ATOM 628 CG LEU A 40 -7.168 -4.016 1.531 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.821 -3.465 1.973 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.267 -3.575 2.487 1.00 0.00 C ATOM 0 H LEU A 40 -8.721 -5.692 0.299 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.561 -3.016 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.872 -4.147 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.194 -2.525 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.115 -5.105 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.610 -3.793 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.041 -3.830 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.845 -2.376 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.022 -3.901 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.352 -2.489 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.215 -4.019 2.182 1.00 0.00 H new ATOM 642 N ALA A 41 -8.792 -4.299 -2.676 1.00 0.00 N ATOM 643 CA ALA A 41 -8.888 -4.081 -4.114 1.00 0.00 C ATOM 644 C ALA A 41 -10.340 -3.913 -4.547 1.00 0.00 C ATOM 645 O ALA A 41 -10.622 -3.330 -5.594 1.00 0.00 O ATOM 646 CB ALA A 41 -8.241 -5.234 -4.867 1.00 0.00 C ATOM 0 H ALA A 41 -8.483 -5.234 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.355 -3.161 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.320 -5.058 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.190 -5.307 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.749 -6.165 -4.614 1.00 0.00 H new ATOM 652 N ALA A 42 -11.259 -4.426 -3.735 1.00 0.00 N ATOM 653 CA ALA A 42 -12.682 -4.331 -4.035 1.00 0.00 C ATOM 654 C ALA A 42 -13.264 -3.017 -3.525 1.00 0.00 C ATOM 655 O ALA A 42 -14.013 -2.343 -4.231 1.00 0.00 O ATOM 656 CB ALA A 42 -13.429 -5.511 -3.430 1.00 0.00 C ATOM 0 H ALA A 42 -11.043 -4.912 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.802 -4.355 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.491 -5.427 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.039 -6.440 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.293 -5.512 -2.349 1.00 0.00 H new ATOM 662 N SER A 43 -12.914 -2.659 -2.293 1.00 0.00 N ATOM 663 CA SER A 43 -13.405 -1.427 -1.687 1.00 0.00 C ATOM 664 C SER A 43 -12.702 -0.211 -2.282 1.00 0.00 C ATOM 665 O SER A 43 -13.346 0.695 -2.814 1.00 0.00 O ATOM 666 CB SER A 43 -13.196 -1.461 -0.172 1.00 0.00 C ATOM 667 OG SER A 43 -13.802 -0.342 0.452 1.00 0.00 O ATOM 0 H SER A 43 -12.293 -3.205 -1.696 1.00 0.00 H new ATOM 0 HA SER A 43 -14.471 -1.347 -1.898 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.616 -2.380 0.236 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.129 -1.472 0.051 1.00 0.00 H new ATOM 0 HG SER A 43 -13.656 -0.388 1.420 1.00 0.00 H new ATOM 673 N LEU A 44 -11.377 -0.197 -2.188 1.00 0.00 N ATOM 674 CA LEU A 44 -10.584 0.908 -2.717 1.00 0.00 C ATOM 675 C LEU A 44 -10.698 0.982 -4.236 1.00 0.00 C ATOM 676 O LEU A 44 -10.336 1.986 -4.848 1.00 0.00 O ATOM 677 CB LEU A 44 -9.118 0.749 -2.311 1.00 0.00 C ATOM 678 CG LEU A 44 -8.861 0.407 -0.843 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.369 0.291 -0.575 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.488 1.454 0.066 1.00 0.00 C ATOM 0 H LEU A 44 -10.829 -0.938 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.973 1.836 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.674 -0.032 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.595 1.676 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.324 -0.556 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.206 0.047 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.947 -0.496 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.883 1.239 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.295 1.195 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.055 2.430 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.564 1.488 -0.106 1.00 0.00 H new ATOM 692 N GLY A 45 -11.206 -0.089 -4.839 1.00 0.00 N ATOM 693 CA GLY A 45 -11.360 -0.124 -6.282 1.00 0.00 C ATOM 694 C GLY A 45 -10.055 -0.410 -6.998 1.00 0.00 C ATOM 695 O GLY A 45 -9.907 -0.100 -8.181 1.00 0.00 O ATOM 0 H GLY A 45 -11.513 -0.932 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.091 -0.887 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.757 0.831 -6.625 1.00 0.00 H new ATOM 699 N LEU A 46 -9.106 -1.000 -6.281 1.00 0.00 N ATOM 700 CA LEU A 46 -7.805 -1.326 -6.855 1.00 0.00 C ATOM 701 C LEU A 46 -7.717 -2.810 -7.196 1.00 0.00 C ATOM 702 O LEU A 46 -8.641 -3.577 -6.925 1.00 0.00 O ATOM 703 CB LEU A 46 -6.687 -0.947 -5.881 1.00 0.00 C ATOM 704 CG LEU A 46 -6.764 0.458 -5.284 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.073 0.501 -3.930 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.146 1.475 -6.233 1.00 0.00 C ATOM 0 H LEU A 46 -9.212 -1.263 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.687 -0.753 -7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.685 -1.668 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.733 -1.049 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.814 0.715 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.138 1.509 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.560 -0.199 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.025 0.224 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.210 2.470 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.100 1.221 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.685 1.463 -7.180 1.00 0.00 H new ATOM 718 N THR A 47 -6.597 -3.209 -7.792 1.00 0.00 N ATOM 719 CA THR A 47 -6.387 -4.601 -8.170 1.00 0.00 C ATOM 720 C THR A 47 -5.433 -5.295 -7.205 1.00 0.00 C ATOM 721 O THR A 47 -4.676 -4.639 -6.488 1.00 0.00 O ATOM 722 CB THR A 47 -5.827 -4.716 -9.600 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.823 -6.087 -10.015 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.415 -4.154 -9.675 1.00 0.00 C ATOM 0 H THR A 47 -5.822 -2.588 -8.023 1.00 0.00 H new ATOM 0 HA THR A 47 -7.360 -5.090 -8.128 1.00 0.00 H new ATOM 0 HB THR A 47 -6.467 -4.137 -10.265 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.467 -6.152 -10.926 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.040 -4.246 -10.694 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.426 -3.103 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.766 -4.710 -8.998 1.00 0.00 H new ATOM 732 N GLN A 48 -5.473 -6.623 -7.192 1.00 0.00 N ATOM 733 CA GLN A 48 -4.610 -7.405 -6.314 1.00 0.00 C ATOM 734 C GLN A 48 -3.140 -7.109 -6.591 1.00 0.00 C ATOM 735 O GLN A 48 -2.269 -7.417 -5.776 1.00 0.00 O ATOM 736 CB GLN A 48 -4.884 -8.899 -6.493 1.00 0.00 C ATOM 737 CG GLN A 48 -6.206 -9.352 -5.893 1.00 0.00 C ATOM 738 CD GLN A 48 -7.369 -9.187 -6.851 1.00 0.00 C ATOM 739 OE1 GLN A 48 -7.270 -8.472 -7.849 1.00 0.00 O ATOM 740 NE2 GLN A 48 -8.480 -9.851 -6.554 1.00 0.00 N ATOM 0 H GLN A 48 -6.093 -7.180 -7.779 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.831 -7.123 -5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.877 -9.136 -7.557 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.074 -9.466 -6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.128 -10.399 -5.600 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.404 -8.781 -4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.518 -10.432 -5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.295 -9.780 -7.163 1.00 0.00 H new ATOM 749 N THR A 49 -2.869 -6.509 -7.746 1.00 0.00 N ATOM 750 CA THR A 49 -1.505 -6.172 -8.130 1.00 0.00 C ATOM 751 C THR A 49 -1.125 -4.777 -7.648 1.00 0.00 C ATOM 752 O THR A 49 0.045 -4.396 -7.680 1.00 0.00 O ATOM 753 CB THR A 49 -1.318 -6.242 -9.658 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.955 -7.416 -10.176 1.00 0.00 O ATOM 755 CG2 THR A 49 0.159 -6.258 -10.023 1.00 0.00 C ATOM 0 H THR A 49 -3.577 -6.247 -8.432 1.00 0.00 H new ATOM 0 HA THR A 49 -0.854 -6.907 -7.656 1.00 0.00 H new ATOM 0 HB THR A 49 -1.775 -5.356 -10.099 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.833 -7.452 -11.148 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.265 -6.308 -11.107 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.635 -5.350 -9.653 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.636 -7.128 -9.571 1.00 0.00 H new ATOM 763 N GLN A 50 -2.121 -4.019 -7.200 1.00 0.00 N ATOM 764 CA GLN A 50 -1.890 -2.666 -6.710 1.00 0.00 C ATOM 765 C GLN A 50 -1.722 -2.656 -5.194 1.00 0.00 C ATOM 766 O GLN A 50 -0.833 -1.991 -4.662 1.00 0.00 O ATOM 767 CB GLN A 50 -3.049 -1.751 -7.112 1.00 0.00 C ATOM 768 CG GLN A 50 -2.976 -1.274 -8.553 1.00 0.00 C ATOM 769 CD GLN A 50 -3.603 0.092 -8.749 1.00 0.00 C ATOM 770 OE1 GLN A 50 -4.826 0.230 -8.759 1.00 0.00 O ATOM 771 NE2 GLN A 50 -2.766 1.111 -8.906 1.00 0.00 N ATOM 0 H GLN A 50 -3.095 -4.319 -7.166 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.969 -2.296 -7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.989 -2.282 -6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.063 -0.884 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.933 -1.239 -8.868 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.479 -1.996 -9.196 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.759 0.951 -8.891 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.130 2.054 -9.042 1.00 0.00 H new ATOM 780 N VAL A 51 -2.582 -3.399 -4.504 1.00 0.00 N ATOM 781 CA VAL A 51 -2.528 -3.477 -3.049 1.00 0.00 C ATOM 782 C VAL A 51 -1.325 -4.292 -2.586 1.00 0.00 C ATOM 783 O VAL A 51 -0.880 -4.170 -1.445 1.00 0.00 O ATOM 784 CB VAL A 51 -3.811 -4.104 -2.472 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.660 -4.352 -0.979 1.00 0.00 C ATOM 786 CG2 VAL A 51 -5.012 -3.213 -2.754 1.00 0.00 C ATOM 0 H VAL A 51 -3.324 -3.955 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.435 -2.455 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.977 -5.064 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.576 -4.795 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.826 -5.032 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.469 -3.407 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.910 -3.671 -2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.857 -2.237 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.130 -3.092 -3.831 1.00 0.00 H new ATOM 796 N LYS A 52 -0.802 -5.124 -3.480 1.00 0.00 N ATOM 797 CA LYS A 52 0.351 -5.960 -3.166 1.00 0.00 C ATOM 798 C LYS A 52 1.633 -5.134 -3.152 1.00 0.00 C ATOM 799 O LYS A 52 2.429 -5.223 -2.217 1.00 0.00 O ATOM 800 CB LYS A 52 0.475 -7.096 -4.183 1.00 0.00 C ATOM 801 CG LYS A 52 -0.268 -8.358 -3.779 1.00 0.00 C ATOM 802 CD LYS A 52 0.170 -9.553 -4.609 1.00 0.00 C ATOM 803 CE LYS A 52 -0.572 -9.613 -5.935 1.00 0.00 C ATOM 804 NZ LYS A 52 -0.318 -10.891 -6.656 1.00 0.00 N ATOM 0 H LYS A 52 -1.159 -5.238 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 52 0.202 -6.384 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.096 -6.754 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.529 -7.334 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.091 -8.563 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.340 -8.204 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.243 -9.496 -4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.008 -10.471 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.642 -9.503 -5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.265 -8.776 -6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.841 -10.893 -7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.700 -10.985 -6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.635 -11.689 -6.070 1.00 0.00 H new ATOM 818 N ILE A 53 1.826 -4.331 -4.193 1.00 0.00 N ATOM 819 CA ILE A 53 3.010 -3.488 -4.297 1.00 0.00 C ATOM 820 C ILE A 53 3.005 -2.398 -3.231 1.00 0.00 C ATOM 821 O ILE A 53 4.053 -2.027 -2.703 1.00 0.00 O ATOM 822 CB ILE A 53 3.112 -2.830 -5.687 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.090 -3.898 -6.783 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.377 -1.990 -5.783 1.00 0.00 C ATOM 825 CD1 ILE A 53 2.886 -3.334 -8.171 1.00 0.00 C ATOM 0 H ILE A 53 1.178 -4.247 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 53 3.873 -4.136 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 53 2.253 -2.174 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.029 -4.452 -6.759 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.294 -4.611 -6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.435 -1.532 -6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.355 -1.210 -5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.249 -2.626 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.881 -4.147 -8.897 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.934 -2.805 -8.212 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.696 -2.643 -8.406 1.00 0.00 H new ATOM 837 N TRP A 54 1.819 -1.889 -2.918 1.00 0.00 N ATOM 838 CA TRP A 54 1.677 -0.843 -1.913 1.00 0.00 C ATOM 839 C TRP A 54 2.136 -1.336 -0.545 1.00 0.00 C ATOM 840 O TRP A 54 2.903 -0.662 0.143 1.00 0.00 O ATOM 841 CB TRP A 54 0.223 -0.373 -1.837 1.00 0.00 C ATOM 842 CG TRP A 54 0.036 0.845 -0.985 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.180 2.123 -1.417 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.050 0.901 0.446 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.301 2.969 -0.341 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.165 2.244 0.813 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.221 -0.054 1.452 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.211 2.653 2.143 1.00 0.00 C ATOM 849 CZ3 TRP A 54 0.175 0.354 2.772 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.041 1.698 3.108 1.00 0.00 C ATOM 0 H TRP A 54 0.942 -2.184 -3.346 1.00 0.00 H new ATOM 0 HA TRP A 54 2.308 -0.004 -2.207 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.136 -0.162 -2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.392 -1.181 -1.442 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.246 2.424 -2.452 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.465 3.974 -0.393 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.386 -1.092 1.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.375 3.688 2.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.308 -0.375 3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.074 1.985 4.149 1.00 0.00 H new ATOM 861 N PHE A 55 1.662 -2.515 -0.156 1.00 0.00 N ATOM 862 CA PHE A 55 2.025 -3.097 1.131 1.00 0.00 C ATOM 863 C PHE A 55 3.493 -3.513 1.146 1.00 0.00 C ATOM 864 O PHE A 55 4.181 -3.358 2.154 1.00 0.00 O ATOM 865 CB PHE A 55 1.138 -4.307 1.435 1.00 0.00 C ATOM 866 CG PHE A 55 -0.121 -3.956 2.175 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.175 -3.337 1.522 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.251 -4.245 3.524 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.334 -3.013 2.202 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.408 -3.924 4.208 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.451 -3.307 3.546 1.00 0.00 C ATOM 0 H PHE A 55 1.026 -3.086 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 55 1.872 -2.340 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.875 -4.799 0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.707 -5.026 2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.090 -3.105 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.562 -4.727 4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.148 -2.530 1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.496 -4.155 5.259 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.356 -3.055 4.078 1.00 0.00 H new ATOM 881 N GLN A 56 3.964 -4.040 0.020 1.00 0.00 N ATOM 882 CA GLN A 56 5.350 -4.479 -0.095 1.00 0.00 C ATOM 883 C GLN A 56 6.302 -3.289 -0.063 1.00 0.00 C ATOM 884 O GLN A 56 7.129 -3.168 0.840 1.00 0.00 O ATOM 885 CB GLN A 56 5.549 -5.272 -1.388 1.00 0.00 C ATOM 886 CG GLN A 56 6.680 -6.285 -1.312 1.00 0.00 C ATOM 887 CD GLN A 56 6.845 -7.073 -2.597 1.00 0.00 C ATOM 888 OE1 GLN A 56 6.293 -6.711 -3.636 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.608 -8.158 -2.532 1.00 0.00 N ATOM 0 H GLN A 56 3.407 -4.173 -0.824 1.00 0.00 H new ATOM 0 HA GLN A 56 5.573 -5.122 0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.623 -5.792 -1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.749 -4.577 -2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.612 -5.767 -1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.491 -6.974 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.046 -8.421 -1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.756 -8.728 -3.365 1.00 0.00 H new ATOM 898 N ASN A 57 6.180 -2.412 -1.054 1.00 0.00 N ATOM 899 CA ASN A 57 7.031 -1.231 -1.140 1.00 0.00 C ATOM 900 C ASN A 57 6.992 -0.437 0.163 1.00 0.00 C ATOM 901 O ASN A 57 7.925 0.300 0.482 1.00 0.00 O ATOM 902 CB ASN A 57 6.591 -0.342 -2.305 1.00 0.00 C ATOM 903 CG ASN A 57 7.236 -0.747 -3.616 1.00 0.00 C ATOM 904 OD1 ASN A 57 7.779 0.090 -4.338 1.00 0.00 O ATOM 905 ND2 ASN A 57 7.181 -2.036 -3.930 1.00 0.00 N ATOM 0 H ASN A 57 5.500 -2.497 -1.809 1.00 0.00 H new ATOM 0 HA ASN A 57 8.055 -1.564 -1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.507 -0.390 -2.406 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.844 0.695 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.599 -2.367 -4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.721 -2.695 -3.302 1.00 0.00 H new ATOM 912 N LYS A 58 5.905 -0.592 0.911 1.00 0.00 N ATOM 913 CA LYS A 58 5.743 0.107 2.180 1.00 0.00 C ATOM 914 C LYS A 58 6.607 -0.527 3.266 1.00 0.00 C ATOM 915 O LYS A 58 7.319 0.168 3.990 1.00 0.00 O ATOM 916 CB LYS A 58 4.274 0.094 2.610 1.00 0.00 C ATOM 917 CG LYS A 58 3.493 1.311 2.145 1.00 0.00 C ATOM 918 CD LYS A 58 3.760 2.516 3.030 1.00 0.00 C ATOM 919 CE LYS A 58 2.843 2.530 4.244 1.00 0.00 C ATOM 920 NZ LYS A 58 3.384 3.383 5.338 1.00 0.00 N ATOM 0 H LYS A 58 5.122 -1.196 0.660 1.00 0.00 H new ATOM 0 HA LYS A 58 6.065 1.139 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.797 -0.805 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.223 0.034 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.764 1.547 1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.427 1.084 2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.799 2.505 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.617 3.430 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.859 2.896 3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.709 1.512 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.730 3.366 6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.312 3.019 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.488 4.360 4.997 1.00 0.00 H new ATOM 934 N ARG A 59 6.540 -1.850 3.371 1.00 0.00 N ATOM 935 CA ARG A 59 7.316 -2.577 4.368 1.00 0.00 C ATOM 936 C ARG A 59 8.734 -2.022 4.464 1.00 0.00 C ATOM 937 O ARG A 59 9.257 -1.814 5.559 1.00 0.00 O ATOM 938 CB ARG A 59 7.363 -4.067 4.021 1.00 0.00 C ATOM 939 CG ARG A 59 6.225 -4.870 4.630 1.00 0.00 C ATOM 940 CD ARG A 59 6.435 -6.364 4.443 1.00 0.00 C ATOM 941 NE ARG A 59 7.686 -6.820 5.043 1.00 0.00 N ATOM 942 CZ ARG A 59 7.851 -7.004 6.349 1.00 0.00 C ATOM 943 NH1 ARG A 59 6.850 -6.773 7.186 1.00 0.00 N ATOM 944 NH2 ARG A 59 9.020 -7.421 6.819 1.00 0.00 N ATOM 0 H ARG A 59 5.956 -2.440 2.778 1.00 0.00 H new ATOM 0 HA ARG A 59 6.828 -2.450 5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.337 -4.180 2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.312 -4.481 4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.146 -4.643 5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.282 -4.574 4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.601 -6.906 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.436 -6.600 3.379 1.00 0.00 H new ATOM 0 HE ARG A 59 8.476 -7.008 4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.950 -6.453 6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.980 -6.915 8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.793 -7.601 6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.146 -7.562 7.821 1.00 0.00 H new