USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 380 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= -3.24! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= -0.101 (180deg=-0.608) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= -0.365 (180deg=-1.26) USER MOD Single : A 29 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.045) USER MOD Single : A 33 SER OG : rot 180:sc= 0.127 USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= 0.778 (180deg=-2.14!) USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= 0.786 (180deg=0.0291) USER MOD Single : A 44 MET CE :methyl -161:sc= -0.0889 (180deg=-0.588) USER MOD Single : A 46 ASN : amide:sc= -1.98! C(o=-2!,f=-2.2!) USER MOD Single : A 47 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.5) USER MOD Single : A 48 THR OG1 : rot -167:sc= -0.0369 USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.968) USER MOD Single : A 54 GLN : amide:sc= -2.1! C(o=-2.1!,f=-5.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -152:sc= -0.131 (180deg=-0.638) USER MOD Single : A 59 LYS NZ :NH3+ -159:sc= -0.0799 (180deg=-0.635) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.157 7.294 3.493 1.00 0.00 N ATOM 184 CA SER A 12 5.671 6.010 4.069 1.00 0.00 C ATOM 185 C SER A 12 6.000 5.008 2.963 1.00 0.00 C ATOM 186 O SER A 12 5.509 5.117 1.860 1.00 0.00 O ATOM 187 CB SER A 12 4.576 5.412 4.970 1.00 0.00 C ATOM 188 OG SER A 12 5.274 4.494 5.798 1.00 0.00 O ATOM 0 HA SER A 12 6.580 6.213 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.079 6.183 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.805 4.913 4.383 1.00 0.00 H new ATOM 0 HG SER A 12 4.644 4.063 6.413 1.00 0.00 H new ATOM 194 N ALA A 13 6.823 4.048 3.285 1.00 0.00 N ATOM 195 CA ALA A 13 7.189 3.039 2.268 1.00 0.00 C ATOM 196 C ALA A 13 5.967 2.364 1.729 1.00 0.00 C ATOM 197 O ALA A 13 5.770 2.263 0.532 1.00 0.00 O ATOM 198 CB ALA A 13 8.050 1.951 2.931 1.00 0.00 C ATOM 0 H ALA A 13 7.252 3.924 4.202 1.00 0.00 H new ATOM 0 HA ALA A 13 7.724 3.544 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.325 1.202 2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.953 2.402 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.483 1.477 3.732 1.00 0.00 H new ATOM 204 N PHE A 14 5.162 1.908 2.627 1.00 0.00 N ATOM 205 CA PHE A 14 3.928 1.218 2.221 1.00 0.00 C ATOM 206 C PHE A 14 2.898 2.194 1.621 1.00 0.00 C ATOM 207 O PHE A 14 1.874 1.785 1.115 1.00 0.00 O ATOM 208 CB PHE A 14 3.375 0.461 3.476 1.00 0.00 C ATOM 209 CG PHE A 14 1.950 0.866 3.843 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.662 2.167 4.149 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.948 -0.085 3.910 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.387 2.530 4.527 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.322 0.271 4.285 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.603 1.580 4.595 1.00 0.00 C ATOM 0 H PHE A 14 5.307 1.984 3.634 1.00 0.00 H new ATOM 0 HA PHE A 14 4.139 0.502 1.426 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.403 -0.612 3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.030 0.652 4.326 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.439 2.915 4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.167 -1.114 3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.167 3.559 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.100 -0.476 4.337 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.602 1.862 4.892 1.00 0.00 H new ATOM 224 N PHE A 15 3.152 3.465 1.730 1.00 0.00 N ATOM 225 CA PHE A 15 2.180 4.424 1.156 1.00 0.00 C ATOM 226 C PHE A 15 2.394 4.437 -0.320 1.00 0.00 C ATOM 227 O PHE A 15 1.475 4.507 -1.101 1.00 0.00 O ATOM 228 CB PHE A 15 2.453 5.825 1.690 1.00 0.00 C ATOM 229 CG PHE A 15 1.432 6.780 1.074 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.152 6.865 1.590 1.00 0.00 C ATOM 231 CD2 PHE A 15 1.764 7.543 -0.030 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.780 7.698 1.008 1.00 0.00 C ATOM 233 CE2 PHE A 15 0.830 8.377 -0.608 1.00 0.00 C ATOM 234 CZ PHE A 15 -0.441 8.453 -0.089 1.00 0.00 C ATOM 0 H PHE A 15 3.971 3.873 2.181 1.00 0.00 H new ATOM 0 HA PHE A 15 1.163 4.132 1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.378 5.838 2.777 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.466 6.137 1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.119 6.276 2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.761 7.486 -0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.779 7.757 1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.097 8.971 -1.469 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.172 9.105 -0.543 1.00 0.00 H new ATOM 244 N LEU A 16 3.624 4.375 -0.676 1.00 0.00 N ATOM 245 CA LEU A 16 3.958 4.374 -2.084 1.00 0.00 C ATOM 246 C LEU A 16 3.427 3.094 -2.681 1.00 0.00 C ATOM 247 O LEU A 16 3.257 2.972 -3.878 1.00 0.00 O ATOM 248 CB LEU A 16 5.481 4.414 -2.194 1.00 0.00 C ATOM 249 CG LEU A 16 6.009 5.650 -1.445 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.532 5.569 -1.372 1.00 0.00 C ATOM 251 CD2 LEU A 16 5.595 6.931 -2.188 1.00 0.00 C ATOM 0 H LEU A 16 4.417 4.325 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 16 3.528 5.227 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.912 3.506 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.781 4.452 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 16 5.589 5.675 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.918 6.440 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.823 4.663 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.944 5.545 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.973 7.801 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.011 6.918 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.508 6.983 -2.245 1.00 0.00 H new ATOM 263 N PHE A 17 3.162 2.152 -1.805 1.00 0.00 N ATOM 264 CA PHE A 17 2.634 0.855 -2.248 1.00 0.00 C ATOM 265 C PHE A 17 1.123 0.980 -2.373 1.00 0.00 C ATOM 266 O PHE A 17 0.500 0.314 -3.159 1.00 0.00 O ATOM 267 CB PHE A 17 3.012 -0.150 -1.165 1.00 0.00 C ATOM 268 CG PHE A 17 2.198 -1.423 -1.246 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.958 -1.483 -0.639 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.731 -2.563 -1.811 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.264 -2.667 -0.587 1.00 0.00 C ATOM 272 CE2 PHE A 17 2.032 -3.751 -1.760 1.00 0.00 C ATOM 273 CZ PHE A 17 0.797 -3.799 -1.141 1.00 0.00 C ATOM 0 H PHE A 17 3.295 2.243 -0.798 1.00 0.00 H new ATOM 0 HA PHE A 17 3.034 0.538 -3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.071 -0.393 -1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.870 0.306 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.531 -0.592 -0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.696 -2.525 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.703 -2.705 -0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.449 -4.643 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.252 -4.730 -1.095 1.00 0.00 H new ATOM 283 N CYS A 18 0.550 1.829 -1.551 1.00 0.00 N ATOM 284 CA CYS A 18 -0.907 2.015 -1.618 1.00 0.00 C ATOM 285 C CYS A 18 -1.301 2.340 -3.046 1.00 0.00 C ATOM 286 O CYS A 18 -1.982 1.577 -3.685 1.00 0.00 O ATOM 287 CB CYS A 18 -1.301 3.210 -0.708 1.00 0.00 C ATOM 288 SG CYS A 18 -3.048 3.684 -0.654 1.00 0.00 S ATOM 0 H CYS A 18 1.035 2.388 -0.849 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.413 1.107 -1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.985 2.976 0.309 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.727 4.079 -1.028 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.199 4.693 0.152 1.00 0.00 H new ATOM 294 N SER A 19 -0.810 3.462 -3.533 1.00 0.00 N ATOM 295 CA SER A 19 -1.134 3.884 -4.929 1.00 0.00 C ATOM 296 C SER A 19 -1.163 2.689 -5.865 1.00 0.00 C ATOM 297 O SER A 19 -1.941 2.635 -6.796 1.00 0.00 O ATOM 298 CB SER A 19 -0.042 4.869 -5.400 1.00 0.00 C ATOM 299 OG SER A 19 -0.670 5.616 -6.431 1.00 0.00 O ATOM 0 H SER A 19 -0.200 4.099 -3.020 1.00 0.00 H new ATOM 0 HA SER A 19 -2.118 4.353 -4.943 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.291 5.514 -4.587 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.838 4.342 -5.769 1.00 0.00 H new ATOM 0 HG SER A 19 -0.039 6.274 -6.789 1.00 0.00 H new ATOM 305 N GLU A 20 -0.304 1.751 -5.596 1.00 0.00 N ATOM 306 CA GLU A 20 -0.254 0.548 -6.443 1.00 0.00 C ATOM 307 C GLU A 20 -1.408 -0.392 -6.070 1.00 0.00 C ATOM 308 O GLU A 20 -2.145 -0.839 -6.925 1.00 0.00 O ATOM 309 CB GLU A 20 1.119 -0.152 -6.218 1.00 0.00 C ATOM 310 CG GLU A 20 1.114 -1.547 -6.834 1.00 0.00 C ATOM 311 CD GLU A 20 0.695 -1.458 -8.306 1.00 0.00 C ATOM 312 OE1 GLU A 20 -0.502 -1.377 -8.524 1.00 0.00 O ATOM 313 OE2 GLU A 20 1.598 -1.475 -9.127 1.00 0.00 O ATOM 0 H GLU A 20 0.363 1.771 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.358 0.815 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.915 0.445 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.329 -0.220 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.105 -1.994 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.427 -2.194 -6.288 1.00 0.00 H new ATOM 320 N TYR A 21 -1.544 -0.677 -4.786 1.00 0.00 N ATOM 321 CA TYR A 21 -2.643 -1.583 -4.331 1.00 0.00 C ATOM 322 C TYR A 21 -3.872 -0.816 -3.839 1.00 0.00 C ATOM 323 O TYR A 21 -4.695 -1.361 -3.129 1.00 0.00 O ATOM 324 CB TYR A 21 -2.089 -2.428 -3.175 1.00 0.00 C ATOM 325 CG TYR A 21 -1.272 -3.577 -3.737 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.055 -3.398 -4.040 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.852 -4.809 -3.944 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.806 -4.442 -4.544 1.00 0.00 C ATOM 329 CE2 TYR A 21 -1.107 -5.857 -4.447 1.00 0.00 C ATOM 330 CZ TYR A 21 0.229 -5.681 -4.752 1.00 0.00 C ATOM 331 OH TYR A 21 0.976 -6.727 -5.255 1.00 0.00 O ATOM 0 H TYR A 21 -0.942 -0.320 -4.044 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.964 -2.193 -5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.470 -1.811 -2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.907 -2.813 -2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.515 -2.434 -3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.896 -4.956 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.850 -4.290 -4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.571 -6.820 -4.603 1.00 0.00 H new ATOM 0 HH TYR A 21 0.411 -7.523 -5.336 1.00 0.00 H new ATOM 341 N ARG A 22 -3.983 0.421 -4.219 1.00 0.00 N ATOM 342 CA ARG A 22 -5.164 1.221 -3.771 1.00 0.00 C ATOM 343 C ARG A 22 -6.359 1.064 -4.722 1.00 0.00 C ATOM 344 O ARG A 22 -7.481 1.031 -4.274 1.00 0.00 O ATOM 345 CB ARG A 22 -4.804 2.731 -3.679 1.00 0.00 C ATOM 346 CG ARG A 22 -5.831 3.429 -2.780 1.00 0.00 C ATOM 347 CD ARG A 22 -5.572 4.941 -2.780 1.00 0.00 C ATOM 348 NE ARG A 22 -6.155 5.527 -1.540 1.00 0.00 N ATOM 349 CZ ARG A 22 -5.844 6.747 -1.202 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.031 7.425 -1.964 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.349 7.244 -0.107 1.00 0.00 N ATOM 0 H ARG A 22 -3.318 0.915 -4.814 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.442 0.840 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.800 2.856 -3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.804 3.180 -4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.840 3.223 -3.136 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.765 3.039 -1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.501 5.141 -2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.019 5.401 -3.661 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.791 4.979 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.650 6.999 -2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.777 8.381 -1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.975 6.680 0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.118 8.197 0.175 1.00 0.00 H new ATOM 365 N PRO A 23 -6.110 0.958 -6.038 1.00 0.00 N ATOM 366 CA PRO A 23 -7.199 0.809 -6.992 1.00 0.00 C ATOM 367 C PRO A 23 -7.698 -0.635 -6.997 1.00 0.00 C ATOM 368 O PRO A 23 -8.851 -0.896 -7.257 1.00 0.00 O ATOM 369 CB PRO A 23 -6.565 1.167 -8.371 1.00 0.00 C ATOM 370 CG PRO A 23 -5.011 1.179 -8.161 1.00 0.00 C ATOM 371 CD PRO A 23 -4.761 0.964 -6.646 1.00 0.00 C ATOM 0 HA PRO A 23 -8.054 1.442 -6.752 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.848 0.436 -9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.916 2.139 -8.718 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.536 0.392 -8.747 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.584 2.125 -8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.239 0.025 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.143 1.760 -6.230 1.00 0.00 H new ATOM 379 N LYS A 24 -6.805 -1.542 -6.706 1.00 0.00 N ATOM 380 CA LYS A 24 -7.189 -2.954 -6.686 1.00 0.00 C ATOM 381 C LYS A 24 -8.346 -3.158 -5.739 1.00 0.00 C ATOM 382 O LYS A 24 -9.400 -3.621 -6.126 1.00 0.00 O ATOM 383 CB LYS A 24 -5.993 -3.770 -6.169 1.00 0.00 C ATOM 384 CG LYS A 24 -4.759 -3.510 -7.049 1.00 0.00 C ATOM 385 CD LYS A 24 -4.930 -4.205 -8.409 1.00 0.00 C ATOM 386 CE LYS A 24 -3.572 -4.264 -9.114 1.00 0.00 C ATOM 387 NZ LYS A 24 -2.651 -5.190 -8.397 1.00 0.00 N ATOM 0 H LYS A 24 -5.828 -1.351 -6.483 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.478 -3.269 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.777 -3.499 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.237 -4.832 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.624 -2.438 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.862 -3.880 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.326 -5.211 -8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.649 -3.661 -9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.704 -4.598 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.134 -3.267 -9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.956 -5.577 -9.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.155 -4.672 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.198 -5.969 -7.978 1.00 0.00 H new ATOM 401 N ILE A 25 -8.127 -2.800 -4.506 1.00 0.00 N ATOM 402 CA ILE A 25 -9.191 -2.958 -3.501 1.00 0.00 C ATOM 403 C ILE A 25 -10.259 -1.865 -3.674 1.00 0.00 C ATOM 404 O ILE A 25 -11.414 -2.165 -3.892 1.00 0.00 O ATOM 405 CB ILE A 25 -8.556 -2.867 -2.065 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.147 -2.245 -2.133 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.431 -4.300 -1.474 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.698 -1.810 -0.724 1.00 0.00 C ATOM 0 H ILE A 25 -7.253 -2.405 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.670 -3.928 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.195 -2.243 -1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.441 -2.967 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.151 -1.386 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.991 -4.246 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.420 -4.755 -1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.794 -4.905 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.702 -1.371 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.398 -1.073 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.676 -2.678 -0.065 1.00 0.00 H new ATOM 420 N LYS A 26 -9.852 -0.618 -3.587 1.00 0.00 N ATOM 421 CA LYS A 26 -10.842 0.473 -3.746 1.00 0.00 C ATOM 422 C LYS A 26 -11.652 0.248 -5.003 1.00 0.00 C ATOM 423 O LYS A 26 -12.820 0.577 -5.064 1.00 0.00 O ATOM 424 CB LYS A 26 -10.098 1.821 -3.859 1.00 0.00 C ATOM 425 CG LYS A 26 -11.115 2.985 -3.806 1.00 0.00 C ATOM 426 CD LYS A 26 -11.463 3.316 -2.339 1.00 0.00 C ATOM 427 CE LYS A 26 -12.354 4.569 -2.292 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.260 5.219 -0.956 1.00 0.00 N ATOM 0 H LYS A 26 -8.891 -0.322 -3.415 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.507 0.486 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.377 1.918 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.535 1.859 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.699 3.865 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.019 2.714 -4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.978 2.473 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.551 3.484 -1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.048 5.271 -3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.389 4.296 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.132 5.755 -0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.137 4.491 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.446 5.866 -0.941 1.00 0.00 H new ATOM 442 N GLY A 27 -11.019 -0.318 -5.990 1.00 0.00 N ATOM 443 CA GLY A 27 -11.738 -0.575 -7.252 1.00 0.00 C ATOM 444 C GLY A 27 -12.949 -1.431 -6.946 1.00 0.00 C ATOM 445 O GLY A 27 -14.070 -1.074 -7.247 1.00 0.00 O ATOM 0 H GLY A 27 -10.042 -0.610 -5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.044 0.364 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.086 -1.081 -7.964 1.00 0.00 H new ATOM 449 N GLU A 28 -12.687 -2.555 -6.350 1.00 0.00 N ATOM 450 CA GLU A 28 -13.770 -3.470 -5.997 1.00 0.00 C ATOM 451 C GLU A 28 -14.481 -2.948 -4.751 1.00 0.00 C ATOM 452 O GLU A 28 -15.468 -3.501 -4.311 1.00 0.00 O ATOM 453 CB GLU A 28 -13.146 -4.849 -5.697 1.00 0.00 C ATOM 454 CG GLU A 28 -12.967 -5.627 -7.005 1.00 0.00 C ATOM 455 CD GLU A 28 -12.200 -6.919 -6.720 1.00 0.00 C ATOM 456 OE1 GLU A 28 -12.812 -7.793 -6.129 1.00 0.00 O ATOM 457 OE2 GLU A 28 -11.043 -6.960 -7.107 1.00 0.00 O ATOM 0 H GLU A 28 -11.752 -2.872 -6.094 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.490 -3.549 -6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.183 -4.724 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.786 -5.408 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.939 -5.856 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.425 -5.021 -7.731 1.00 0.00 H new ATOM 464 N HIS A 29 -13.944 -1.875 -4.202 1.00 0.00 N ATOM 465 CA HIS A 29 -14.543 -1.268 -2.984 1.00 0.00 C ATOM 466 C HIS A 29 -14.563 0.264 -3.099 1.00 0.00 C ATOM 467 O HIS A 29 -13.875 0.946 -2.365 1.00 0.00 O ATOM 468 CB HIS A 29 -13.647 -1.638 -1.797 1.00 0.00 C ATOM 469 CG HIS A 29 -13.750 -3.140 -1.509 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.490 -3.647 -0.644 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.082 -4.201 -2.093 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.368 -4.909 -0.610 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.488 -5.360 -1.504 1.00 0.00 N ATOM 0 H HIS A 29 -13.113 -1.400 -4.555 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.563 -1.632 -2.859 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.613 -1.371 -2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.944 -1.069 -0.916 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.355 -4.123 -2.888 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.916 -5.547 0.068 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.196 -6.318 -1.696 1.00 0.00 H new ATOM 481 N PRO A 30 -15.357 0.786 -4.030 1.00 0.00 N ATOM 482 CA PRO A 30 -15.447 2.231 -4.220 1.00 0.00 C ATOM 483 C PRO A 30 -16.130 2.888 -3.010 1.00 0.00 C ATOM 484 O PRO A 30 -17.257 3.333 -3.085 1.00 0.00 O ATOM 485 CB PRO A 30 -16.302 2.409 -5.521 1.00 0.00 C ATOM 486 CG PRO A 30 -16.849 0.991 -5.905 1.00 0.00 C ATOM 487 CD PRO A 30 -16.200 -0.027 -4.929 1.00 0.00 C ATOM 0 HA PRO A 30 -14.469 2.703 -4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.122 3.106 -5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.696 2.820 -6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.936 0.963 -5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.599 0.748 -6.938 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.958 -0.575 -4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.605 -0.765 -5.467 1.00 0.00 H new ATOM 495 N GLY A 31 -15.428 2.925 -1.913 1.00 0.00 N ATOM 496 CA GLY A 31 -16.018 3.543 -0.701 1.00 0.00 C ATOM 497 C GLY A 31 -15.185 3.229 0.544 1.00 0.00 C ATOM 498 O GLY A 31 -15.701 3.213 1.644 1.00 0.00 O ATOM 0 H GLY A 31 -14.482 2.558 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.083 4.623 -0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.036 3.178 -0.562 1.00 0.00 H new ATOM 502 N LEU A 32 -13.913 2.977 0.357 1.00 0.00 N ATOM 503 CA LEU A 32 -13.068 2.670 1.538 1.00 0.00 C ATOM 504 C LEU A 32 -12.708 3.941 2.277 1.00 0.00 C ATOM 505 O LEU A 32 -12.591 5.000 1.692 1.00 0.00 O ATOM 506 CB LEU A 32 -11.717 2.047 1.087 1.00 0.00 C ATOM 507 CG LEU A 32 -11.840 0.604 0.551 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.426 -0.010 0.558 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.731 -0.247 1.459 1.00 0.00 C ATOM 0 H LEU A 32 -13.436 2.971 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.636 1.987 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.279 2.676 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.026 2.053 1.930 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.278 0.625 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.472 -1.033 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.770 0.581 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.035 -0.012 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.800 -1.258 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.302 -0.283 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.727 0.193 1.507 1.00 0.00 H new ATOM 521 N SER A 33 -12.540 3.807 3.557 1.00 0.00 N ATOM 522 CA SER A 33 -12.181 4.970 4.388 1.00 0.00 C ATOM 523 C SER A 33 -10.679 4.966 4.580 1.00 0.00 C ATOM 524 O SER A 33 -10.074 3.916 4.595 1.00 0.00 O ATOM 525 CB SER A 33 -12.864 4.828 5.757 1.00 0.00 C ATOM 526 OG SER A 33 -12.363 3.603 6.269 1.00 0.00 O ATOM 0 H SER A 33 -12.638 2.928 4.065 1.00 0.00 H new ATOM 0 HA SER A 33 -12.500 5.897 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.620 5.664 6.413 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.949 4.805 5.660 1.00 0.00 H new ATOM 0 HG SER A 33 -12.752 3.434 7.153 1.00 0.00 H new ATOM 532 N ILE A 34 -10.083 6.116 4.716 1.00 0.00 N ATOM 533 CA ILE A 34 -8.610 6.136 4.907 1.00 0.00 C ATOM 534 C ILE A 34 -8.202 5.106 5.953 1.00 0.00 C ATOM 535 O ILE A 34 -7.110 4.573 5.918 1.00 0.00 O ATOM 536 CB ILE A 34 -8.197 7.541 5.368 1.00 0.00 C ATOM 537 CG1 ILE A 34 -8.592 8.559 4.287 1.00 0.00 C ATOM 538 CG2 ILE A 34 -6.655 7.583 5.555 1.00 0.00 C ATOM 539 CD1 ILE A 34 -8.131 9.973 4.692 1.00 0.00 C ATOM 0 H ILE A 34 -10.542 7.027 4.704 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.113 5.889 3.969 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.693 7.781 6.308 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.142 8.281 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.673 8.548 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.355 8.578 5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.359 6.850 6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.167 7.350 4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.417 10.685 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.602 10.253 5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.048 9.982 4.811 1.00 0.00 H new ATOM 551 N GLY A 35 -9.090 4.846 6.864 1.00 0.00 N ATOM 552 CA GLY A 35 -8.776 3.852 7.918 1.00 0.00 C ATOM 553 C GLY A 35 -8.783 2.443 7.315 1.00 0.00 C ATOM 554 O GLY A 35 -8.005 1.601 7.698 1.00 0.00 O ATOM 0 H GLY A 35 -10.013 5.275 6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.801 4.066 8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.508 3.917 8.723 1.00 0.00 H new ATOM 558 N ASP A 36 -9.670 2.223 6.374 1.00 0.00 N ATOM 559 CA ASP A 36 -9.746 0.881 5.732 1.00 0.00 C ATOM 560 C ASP A 36 -8.677 0.725 4.668 1.00 0.00 C ATOM 561 O ASP A 36 -7.992 -0.275 4.601 1.00 0.00 O ATOM 562 CB ASP A 36 -11.125 0.748 5.054 1.00 0.00 C ATOM 563 CG ASP A 36 -11.466 -0.732 4.871 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.526 -1.481 4.664 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.647 -1.029 4.945 1.00 0.00 O ATOM 0 H ASP A 36 -10.338 2.912 6.028 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.598 0.117 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.888 1.235 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.116 1.252 4.087 1.00 0.00 H new ATOM 570 N VAL A 37 -8.563 1.724 3.862 1.00 0.00 N ATOM 571 CA VAL A 37 -7.560 1.692 2.785 1.00 0.00 C ATOM 572 C VAL A 37 -6.207 1.336 3.338 1.00 0.00 C ATOM 573 O VAL A 37 -5.606 0.356 2.967 1.00 0.00 O ATOM 574 CB VAL A 37 -7.469 3.119 2.177 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.331 3.158 1.170 1.00 0.00 C ATOM 576 CG2 VAL A 37 -8.777 3.468 1.480 1.00 0.00 C ATOM 0 H VAL A 37 -9.128 2.572 3.903 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.851 0.952 2.040 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.285 3.842 2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.261 4.157 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.394 2.912 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.521 2.433 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.707 4.470 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.968 2.749 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.594 3.436 2.201 1.00 0.00 H new ATOM 586 N ALA A 38 -5.769 2.138 4.227 1.00 0.00 N ATOM 587 CA ALA A 38 -4.464 1.908 4.839 1.00 0.00 C ATOM 588 C ALA A 38 -4.391 0.584 5.610 1.00 0.00 C ATOM 589 O ALA A 38 -3.339 -0.016 5.697 1.00 0.00 O ATOM 590 CB ALA A 38 -4.202 3.074 5.775 1.00 0.00 C ATOM 0 H ALA A 38 -6.268 2.961 4.565 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.710 1.838 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.233 2.943 6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.202 4.004 5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.982 3.113 6.535 1.00 0.00 H new ATOM 596 N LYS A 39 -5.495 0.146 6.156 1.00 0.00 N ATOM 597 CA LYS A 39 -5.459 -1.134 6.910 1.00 0.00 C ATOM 598 C LYS A 39 -5.287 -2.315 5.951 1.00 0.00 C ATOM 599 O LYS A 39 -4.343 -3.072 6.058 1.00 0.00 O ATOM 600 CB LYS A 39 -6.798 -1.275 7.703 1.00 0.00 C ATOM 601 CG LYS A 39 -6.603 -0.841 9.185 1.00 0.00 C ATOM 602 CD LYS A 39 -5.758 0.472 9.276 1.00 0.00 C ATOM 603 CE LYS A 39 -6.259 1.337 10.446 1.00 0.00 C ATOM 604 NZ LYS A 39 -7.704 1.659 10.277 1.00 0.00 N ATOM 0 H LYS A 39 -6.402 0.611 6.113 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.614 -1.134 7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.570 -0.662 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.144 -2.308 7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.575 -0.686 9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.106 -1.637 9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.705 0.228 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.834 1.029 8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.106 0.809 11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.679 2.258 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.843 2.686 10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.023 1.343 9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.256 1.173 11.012 1.00 0.00 H new ATOM 618 N LYS A 40 -6.196 -2.448 5.042 1.00 0.00 N ATOM 619 CA LYS A 40 -6.100 -3.565 4.074 1.00 0.00 C ATOM 620 C LYS A 40 -4.735 -3.558 3.415 1.00 0.00 C ATOM 621 O LYS A 40 -4.133 -4.588 3.209 1.00 0.00 O ATOM 622 CB LYS A 40 -7.181 -3.371 3.004 1.00 0.00 C ATOM 623 CG LYS A 40 -8.540 -3.774 3.593 1.00 0.00 C ATOM 624 CD LYS A 40 -9.646 -3.527 2.550 1.00 0.00 C ATOM 625 CE LYS A 40 -10.875 -4.377 2.896 1.00 0.00 C ATOM 626 NZ LYS A 40 -11.173 -4.302 4.355 1.00 0.00 N ATOM 0 H LYS A 40 -7.002 -1.834 4.925 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.240 -4.516 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.205 -2.332 2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.956 -3.977 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.526 -4.825 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.742 -3.198 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.915 -2.471 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.284 -3.781 1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.736 -4.029 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.699 -5.414 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.174 -4.534 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.573 -4.980 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.980 -3.340 4.700 1.00 0.00 H new ATOM 640 N LEU A 41 -4.279 -2.400 3.072 1.00 0.00 N ATOM 641 CA LEU A 41 -2.958 -2.323 2.432 1.00 0.00 C ATOM 642 C LEU A 41 -1.917 -2.760 3.415 1.00 0.00 C ATOM 643 O LEU A 41 -0.883 -3.287 3.053 1.00 0.00 O ATOM 644 CB LEU A 41 -2.674 -0.870 2.054 1.00 0.00 C ATOM 645 CG LEU A 41 -3.626 -0.433 0.948 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.583 1.075 0.857 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.178 -1.031 -0.400 1.00 0.00 C ATOM 0 H LEU A 41 -4.760 -1.511 3.206 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.940 -2.959 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.794 -0.227 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.641 -0.766 1.721 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.635 -0.778 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.258 1.411 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.892 1.506 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.568 1.397 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.864 -0.713 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.172 -0.684 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.181 -2.119 -0.334 1.00 0.00 H new ATOM 659 N GLY A 42 -2.210 -2.528 4.654 1.00 0.00 N ATOM 660 CA GLY A 42 -1.266 -2.912 5.702 1.00 0.00 C ATOM 661 C GLY A 42 -1.178 -4.434 5.764 1.00 0.00 C ATOM 662 O GLY A 42 -0.170 -4.992 6.152 1.00 0.00 O ATOM 0 H GLY A 42 -3.070 -2.086 4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.284 -2.487 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.591 -2.515 6.664 1.00 0.00 H new ATOM 666 N GLU A 43 -2.256 -5.075 5.376 1.00 0.00 N ATOM 667 CA GLU A 43 -2.284 -6.547 5.393 1.00 0.00 C ATOM 668 C GLU A 43 -1.496 -7.094 4.198 1.00 0.00 C ATOM 669 O GLU A 43 -0.628 -7.929 4.357 1.00 0.00 O ATOM 670 CB GLU A 43 -3.773 -6.997 5.296 1.00 0.00 C ATOM 671 CG GLU A 43 -4.346 -7.191 6.709 1.00 0.00 C ATOM 672 CD GLU A 43 -5.837 -7.528 6.615 1.00 0.00 C ATOM 673 OE1 GLU A 43 -6.452 -7.012 5.695 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.277 -8.280 7.468 1.00 0.00 O ATOM 0 H GLU A 43 -3.113 -4.628 5.050 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.831 -6.927 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.355 -6.250 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.846 -7.927 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.813 -7.992 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.204 -6.285 7.298 1.00 0.00 H new ATOM 681 N MET A 44 -1.819 -6.613 3.023 1.00 0.00 N ATOM 682 CA MET A 44 -1.095 -7.096 1.821 1.00 0.00 C ATOM 683 C MET A 44 0.373 -6.712 1.899 1.00 0.00 C ATOM 684 O MET A 44 1.243 -7.534 1.694 1.00 0.00 O ATOM 685 CB MET A 44 -1.739 -6.454 0.565 1.00 0.00 C ATOM 686 CG MET A 44 -2.997 -7.247 0.216 1.00 0.00 C ATOM 687 SD MET A 44 -4.045 -6.629 -1.119 1.00 0.00 S ATOM 688 CE MET A 44 -4.497 -5.063 -0.342 1.00 0.00 C ATOM 0 H MET A 44 -2.544 -5.916 2.851 1.00 0.00 H new ATOM 0 HA MET A 44 -1.164 -8.182 1.765 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.988 -5.410 0.757 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.038 -6.466 -0.270 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.692 -8.261 -0.041 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.608 -7.317 1.116 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.392 -4.664 -0.820 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.694 -5.226 0.718 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.678 -4.352 -0.453 1.00 0.00 H new ATOM 698 N TRP A 45 0.622 -5.472 2.197 1.00 0.00 N ATOM 699 CA TRP A 45 2.031 -5.014 2.297 1.00 0.00 C ATOM 700 C TRP A 45 2.807 -5.952 3.183 1.00 0.00 C ATOM 701 O TRP A 45 3.789 -6.535 2.781 1.00 0.00 O ATOM 702 CB TRP A 45 2.008 -3.627 2.941 1.00 0.00 C ATOM 703 CG TRP A 45 3.417 -3.170 3.343 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.799 -2.994 4.598 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.343 -2.749 2.511 1.00 0.00 C ATOM 706 NE1 TRP A 45 5.004 -2.436 4.494 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.427 -2.238 3.200 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.334 -2.705 1.137 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.483 -1.688 2.521 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.396 -2.153 0.459 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.464 -1.642 1.151 1.00 0.00 C ATOM 0 H TRP A 45 -0.085 -4.758 2.375 1.00 0.00 H new ATOM 0 HA TRP A 45 2.499 -4.988 1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.576 -2.908 2.244 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.365 -3.644 3.821 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.258 -3.245 5.499 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.566 -2.177 5.305 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.493 -3.104 0.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.328 -1.292 3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.389 -2.122 -0.621 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.292 -1.202 0.615 1.00 0.00 H new ATOM 722 N ASN A 46 2.347 -6.076 4.379 1.00 0.00 N ATOM 723 CA ASN A 46 3.030 -6.974 5.334 1.00 0.00 C ATOM 724 C ASN A 46 3.316 -8.320 4.670 1.00 0.00 C ATOM 725 O ASN A 46 4.350 -8.921 4.886 1.00 0.00 O ATOM 726 CB ASN A 46 2.086 -7.206 6.534 1.00 0.00 C ATOM 727 CG ASN A 46 2.218 -6.049 7.525 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.283 -5.496 7.717 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.158 -5.654 8.174 1.00 0.00 N ATOM 0 H ASN A 46 1.525 -5.595 4.743 1.00 0.00 H new ATOM 0 HA ASN A 46 3.970 -6.525 5.656 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.055 -7.285 6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.331 -8.148 7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.225 -4.884 8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.262 -6.115 8.016 1.00 0.00 H new ATOM 736 N ASN A 47 2.379 -8.761 3.871 1.00 0.00 N ATOM 737 CA ASN A 47 2.552 -10.055 3.174 1.00 0.00 C ATOM 738 C ASN A 47 3.462 -9.915 1.952 1.00 0.00 C ATOM 739 O ASN A 47 4.084 -10.868 1.528 1.00 0.00 O ATOM 740 CB ASN A 47 1.170 -10.532 2.704 1.00 0.00 C ATOM 741 CG ASN A 47 0.234 -10.656 3.908 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.650 -10.984 5.002 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.037 -10.403 3.749 1.00 0.00 N ATOM 0 H ASN A 47 1.504 -8.275 3.676 1.00 0.00 H new ATOM 0 HA ASN A 47 3.010 -10.766 3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.758 -9.828 1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.258 -11.494 2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.675 -10.481 4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.391 -10.127 2.833 1.00 0.00 H new ATOM 750 N THR A 48 3.521 -8.725 1.406 1.00 0.00 N ATOM 751 CA THR A 48 4.384 -8.506 0.211 1.00 0.00 C ATOM 752 C THR A 48 5.815 -8.952 0.483 1.00 0.00 C ATOM 753 O THR A 48 6.391 -8.609 1.495 1.00 0.00 O ATOM 754 CB THR A 48 4.390 -6.999 -0.113 1.00 0.00 C ATOM 755 OG1 THR A 48 3.030 -6.656 -0.291 1.00 0.00 O ATOM 756 CG2 THR A 48 5.056 -6.702 -1.489 1.00 0.00 C ATOM 0 H THR A 48 3.012 -7.904 1.735 1.00 0.00 H new ATOM 0 HA THR A 48 3.990 -9.088 -0.622 1.00 0.00 H new ATOM 0 HB THR A 48 4.920 -6.463 0.674 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.968 -5.768 -0.701 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.039 -5.629 -1.677 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.088 -7.052 -1.477 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.508 -7.218 -2.277 1.00 0.00 H new ATOM 764 N ALA A 49 6.367 -9.711 -0.429 1.00 0.00 N ATOM 765 CA ALA A 49 7.758 -10.184 -0.235 1.00 0.00 C ATOM 766 C ALA A 49 8.660 -9.037 0.204 1.00 0.00 C ATOM 767 O ALA A 49 8.339 -7.880 0.003 1.00 0.00 O ATOM 768 CB ALA A 49 8.274 -10.735 -1.573 1.00 0.00 C ATOM 0 H ALA A 49 5.914 -10.018 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 49 7.770 -10.954 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.298 -11.088 -1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.641 -11.562 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.250 -9.946 -2.325 1.00 0.00 H new ATOM 774 N ALA A 50 9.771 -9.371 0.797 1.00 0.00 N ATOM 775 CA ALA A 50 10.695 -8.315 1.252 1.00 0.00 C ATOM 776 C ALA A 50 11.340 -7.597 0.072 1.00 0.00 C ATOM 777 O ALA A 50 11.314 -6.389 -0.005 1.00 0.00 O ATOM 778 CB ALA A 50 11.797 -8.966 2.100 1.00 0.00 C ATOM 0 H ALA A 50 10.072 -10.328 0.983 1.00 0.00 H new ATOM 0 HA ALA A 50 10.132 -7.583 1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.491 -8.200 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.348 -9.464 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.335 -9.697 1.497 1.00 0.00 H new ATOM 784 N ASP A 51 11.906 -8.355 -0.826 1.00 0.00 N ATOM 785 CA ASP A 51 12.555 -7.729 -2.001 1.00 0.00 C ATOM 786 C ASP A 51 11.602 -6.776 -2.713 1.00 0.00 C ATOM 787 O ASP A 51 12.026 -5.886 -3.423 1.00 0.00 O ATOM 788 CB ASP A 51 12.971 -8.843 -2.979 1.00 0.00 C ATOM 789 CG ASP A 51 13.533 -8.214 -4.257 1.00 0.00 C ATOM 790 OD1 ASP A 51 12.715 -7.779 -5.051 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.749 -8.204 -4.367 1.00 0.00 O ATOM 0 H ASP A 51 11.945 -9.374 -0.794 1.00 0.00 H new ATOM 0 HA ASP A 51 13.421 -7.160 -1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.720 -9.486 -2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.113 -9.472 -3.217 1.00 0.00 H new ATOM 796 N ASP A 52 10.331 -6.979 -2.514 1.00 0.00 N ATOM 797 CA ASP A 52 9.337 -6.092 -3.175 1.00 0.00 C ATOM 798 C ASP A 52 9.191 -4.766 -2.421 1.00 0.00 C ATOM 799 O ASP A 52 8.770 -3.781 -2.984 1.00 0.00 O ATOM 800 CB ASP A 52 7.979 -6.820 -3.186 1.00 0.00 C ATOM 801 CG ASP A 52 7.969 -7.858 -4.312 1.00 0.00 C ATOM 802 OD1 ASP A 52 8.774 -8.770 -4.214 1.00 0.00 O ATOM 803 OD2 ASP A 52 7.158 -7.679 -5.205 1.00 0.00 O ATOM 0 H ASP A 52 9.940 -7.715 -1.927 1.00 0.00 H new ATOM 0 HA ASP A 52 9.673 -5.870 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.807 -7.307 -2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.171 -6.103 -3.330 1.00 0.00 H new ATOM 808 N LYS A 53 9.550 -4.768 -1.160 1.00 0.00 N ATOM 809 CA LYS A 53 9.440 -3.521 -0.353 1.00 0.00 C ATOM 810 C LYS A 53 10.657 -2.627 -0.564 1.00 0.00 C ATOM 811 O LYS A 53 10.647 -1.461 -0.221 1.00 0.00 O ATOM 812 CB LYS A 53 9.382 -3.925 1.126 1.00 0.00 C ATOM 813 CG LYS A 53 8.078 -4.686 1.388 1.00 0.00 C ATOM 814 CD LYS A 53 7.868 -4.834 2.897 1.00 0.00 C ATOM 815 CE LYS A 53 6.561 -5.595 3.148 1.00 0.00 C ATOM 816 NZ LYS A 53 6.422 -5.937 4.594 1.00 0.00 N ATOM 0 H LYS A 53 9.913 -5.579 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 53 8.549 -2.972 -0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.239 -4.549 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.434 -3.040 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.238 -4.153 0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.117 -5.668 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.706 -5.369 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.829 -3.853 3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.714 -4.988 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.544 -6.506 2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.893 -6.827 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.366 -6.047 5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.910 -5.175 5.083 1.00 0.00 H new ATOM 830 N GLN A 54 11.682 -3.196 -1.125 1.00 0.00 N ATOM 831 CA GLN A 54 12.913 -2.425 -1.375 1.00 0.00 C ATOM 832 C GLN A 54 12.673 -1.186 -2.295 1.00 0.00 C ATOM 833 O GLN A 54 12.968 -0.080 -1.911 1.00 0.00 O ATOM 834 CB GLN A 54 13.953 -3.387 -2.022 1.00 0.00 C ATOM 835 CG GLN A 54 15.024 -3.782 -0.988 1.00 0.00 C ATOM 836 CD GLN A 54 14.371 -4.599 0.126 1.00 0.00 C ATOM 837 OE1 GLN A 54 13.385 -5.274 -0.082 1.00 0.00 O ATOM 838 NE2 GLN A 54 14.886 -4.565 1.324 1.00 0.00 N ATOM 0 H GLN A 54 11.714 -4.171 -1.422 1.00 0.00 H new ATOM 0 HA GLN A 54 13.278 -2.030 -0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.451 -4.279 -2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.424 -2.904 -2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.812 -4.363 -1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.493 -2.890 -0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.715 -4.000 1.507 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.460 -5.104 2.078 1.00 0.00 H new ATOM 847 N PRO A 55 12.147 -1.389 -3.501 1.00 0.00 N ATOM 848 CA PRO A 55 11.907 -0.258 -4.397 1.00 0.00 C ATOM 849 C PRO A 55 11.118 0.854 -3.726 1.00 0.00 C ATOM 850 O PRO A 55 11.437 2.014 -3.862 1.00 0.00 O ATOM 851 CB PRO A 55 11.078 -0.852 -5.580 1.00 0.00 C ATOM 852 CG PRO A 55 11.010 -2.402 -5.368 1.00 0.00 C ATOM 853 CD PRO A 55 11.744 -2.713 -4.038 1.00 0.00 C ATOM 0 HA PRO A 55 12.849 0.190 -4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.076 -0.423 -5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.547 -0.615 -6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.975 -2.740 -5.325 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.481 -2.926 -6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.092 -3.239 -3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.612 -3.351 -4.206 1.00 0.00 H new ATOM 861 N TYR A 56 10.124 0.475 -3.016 1.00 0.00 N ATOM 862 CA TYR A 56 9.293 1.492 -2.328 1.00 0.00 C ATOM 863 C TYR A 56 10.047 2.219 -1.230 1.00 0.00 C ATOM 864 O TYR A 56 10.249 3.415 -1.300 1.00 0.00 O ATOM 865 CB TYR A 56 8.108 0.786 -1.697 1.00 0.00 C ATOM 866 CG TYR A 56 7.200 0.242 -2.787 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.421 1.097 -3.516 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.088 -1.111 -2.994 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.513 0.607 -4.436 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.188 -1.610 -3.914 1.00 0.00 C ATOM 871 CZ TYR A 56 5.393 -0.753 -4.646 1.00 0.00 C ATOM 872 OH TYR A 56 4.497 -1.245 -5.575 1.00 0.00 O ATOM 0 H TYR A 56 9.840 -0.494 -2.874 1.00 0.00 H new ATOM 0 HA TYR A 56 8.990 2.231 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.454 -0.027 -1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.556 1.478 -1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.516 2.163 -3.372 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.710 -1.791 -2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.893 1.292 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.106 -2.677 -4.061 1.00 0.00 H new ATOM 0 HH TYR A 56 4.547 -2.224 -5.591 1.00 0.00 H new ATOM 882 N GLU A 57 10.448 1.497 -0.230 1.00 0.00 N ATOM 883 CA GLU A 57 11.187 2.159 0.871 1.00 0.00 C ATOM 884 C GLU A 57 12.381 2.907 0.319 1.00 0.00 C ATOM 885 O GLU A 57 12.648 4.037 0.680 1.00 0.00 O ATOM 886 CB GLU A 57 11.645 1.076 1.882 1.00 0.00 C ATOM 887 CG GLU A 57 12.845 0.305 1.345 1.00 0.00 C ATOM 888 CD GLU A 57 13.101 -0.916 2.233 1.00 0.00 C ATOM 889 OE1 GLU A 57 12.462 -0.975 3.273 1.00 0.00 O ATOM 890 OE2 GLU A 57 13.920 -1.722 1.823 1.00 0.00 O ATOM 0 H GLU A 57 10.300 0.493 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 57 10.540 2.878 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.904 1.545 2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.824 0.387 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.659 -0.010 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.726 0.947 1.327 1.00 0.00 H new ATOM 897 N LYS A 58 13.066 2.257 -0.544 1.00 0.00 N ATOM 898 CA LYS A 58 14.255 2.874 -1.161 1.00 0.00 C ATOM 899 C LYS A 58 13.888 4.191 -1.836 1.00 0.00 C ATOM 900 O LYS A 58 14.622 5.154 -1.760 1.00 0.00 O ATOM 901 CB LYS A 58 14.807 1.889 -2.228 1.00 0.00 C ATOM 902 CG LYS A 58 16.079 2.465 -2.881 1.00 0.00 C ATOM 903 CD LYS A 58 17.205 2.584 -1.824 1.00 0.00 C ATOM 904 CE LYS A 58 18.569 2.522 -2.525 1.00 0.00 C ATOM 905 NZ LYS A 58 18.802 1.160 -3.088 1.00 0.00 N ATOM 0 H LYS A 58 12.857 1.310 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 58 15.002 3.078 -0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.031 0.928 -1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.050 1.706 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.402 1.821 -3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.867 3.444 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.107 3.521 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.121 1.778 -1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.609 3.264 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.360 2.771 -1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.824 0.969 -3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.339 0.451 -2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.406 1.109 -4.048 1.00 0.00 H new ATOM 919 N LYS A 59 12.750 4.214 -2.471 1.00 0.00 N ATOM 920 CA LYS A 59 12.325 5.453 -3.150 1.00 0.00 C ATOM 921 C LYS A 59 12.235 6.601 -2.168 1.00 0.00 C ATOM 922 O LYS A 59 12.819 7.648 -2.368 1.00 0.00 O ATOM 923 CB LYS A 59 10.924 5.215 -3.773 1.00 0.00 C ATOM 924 CG LYS A 59 10.648 6.295 -4.834 1.00 0.00 C ATOM 925 CD LYS A 59 9.375 5.932 -5.610 1.00 0.00 C ATOM 926 CE LYS A 59 9.082 7.026 -6.646 1.00 0.00 C ATOM 927 NZ LYS A 59 8.925 8.351 -5.981 1.00 0.00 N ATOM 0 H LYS A 59 12.103 3.429 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 59 13.056 5.707 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.878 4.224 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.159 5.247 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.531 7.268 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.494 6.374 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.500 4.970 -6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.534 5.830 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.893 7.072 -7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.174 6.779 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.393 8.992 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.409 8.231 -5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.863 8.756 -5.788 1.00 0.00 H new ATOM 941 N ALA A 60 11.507 6.384 -1.128 1.00 0.00 N ATOM 942 CA ALA A 60 11.357 7.446 -0.110 1.00 0.00 C ATOM 943 C ALA A 60 12.704 7.918 0.439 1.00 0.00 C ATOM 944 O ALA A 60 12.874 9.082 0.725 1.00 0.00 O ATOM 945 CB ALA A 60 10.532 6.890 1.061 1.00 0.00 C ATOM 0 H ALA A 60 11.006 5.517 -0.934 1.00 0.00 H new ATOM 0 HA ALA A 60 10.867 8.295 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.413 7.662 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.551 6.581 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.047 6.032 1.494 1.00 0.00 H new