USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 431 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.294 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.43) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.15! K(o=-3.2!,f=-2.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0.116 USER MOD Single : A 38 THR OG1 : rot 180:sc= -7.41! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -161:sc= -0.12 (180deg=-0.377) USER MOD Single : A 47 SER OG : rot -27:sc= 0.13 USER MOD Single : A 49 GLN : amide:sc= -2.19 K(o=-2.2,f=-0.5) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0673 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.18) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.3) USER MOD Single : A 57 TYR OH : rot -12:sc= 0.986 USER MOD Single : A 59 GLN : amide:sc= 0.283 X(o=0.28,f=-0.083) USER MOD Single : A 60 LYS NZ :NH3+ -115:sc=-0.00359 (180deg=-0.194) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N PRO A 12 -0.237 5.931 2.144 1.00 0.00 N ATOM 189 CA PRO A 12 -0.614 4.725 1.368 1.00 0.00 C ATOM 190 C PRO A 12 -0.718 3.498 2.274 1.00 0.00 C ATOM 191 O PRO A 12 -0.541 3.576 3.475 1.00 0.00 O ATOM 192 CB PRO A 12 0.535 4.557 0.378 1.00 0.00 C ATOM 193 CG PRO A 12 1.703 5.229 1.018 1.00 0.00 C ATOM 194 CD PRO A 12 1.162 6.324 1.897 1.00 0.00 C ATOM 0 HA PRO A 12 -1.586 4.828 0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.741 3.504 0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.297 5.012 -0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.283 4.516 1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.373 5.639 0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.724 6.402 2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.222 7.295 1.406 1.00 0.00 H new ATOM 202 N SER A 13 -0.996 2.364 1.691 1.00 0.00 N ATOM 203 CA SER A 13 -1.107 1.105 2.479 1.00 0.00 C ATOM 204 C SER A 13 -0.448 -0.036 1.701 1.00 0.00 C ATOM 205 O SER A 13 -0.122 0.110 0.540 1.00 0.00 O ATOM 206 CB SER A 13 -2.608 0.860 2.631 1.00 0.00 C ATOM 207 OG SER A 13 -3.134 1.753 3.603 1.00 0.00 O ATOM 0 H SER A 13 -1.153 2.256 0.689 1.00 0.00 H new ATOM 0 HA SER A 13 -0.614 1.168 3.449 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.111 1.008 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.791 -0.172 2.932 1.00 0.00 H new ATOM 0 HG SER A 13 -4.097 1.599 3.701 1.00 0.00 H new ATOM 213 N ALA A 14 -0.250 -1.166 2.329 1.00 0.00 N ATOM 214 CA ALA A 14 0.396 -2.325 1.628 1.00 0.00 C ATOM 215 C ALA A 14 -0.335 -2.658 0.320 1.00 0.00 C ATOM 216 O ALA A 14 0.284 -2.949 -0.687 1.00 0.00 O ATOM 217 CB ALA A 14 0.288 -3.490 2.613 1.00 0.00 C ATOM 0 H ALA A 14 -0.507 -1.340 3.300 1.00 0.00 H new ATOM 0 HA ALA A 14 1.428 -2.107 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.739 -4.380 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.809 -3.236 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.762 -3.686 2.832 1.00 0.00 H new ATOM 223 N PHE A 15 -1.644 -2.623 0.330 1.00 0.00 N ATOM 224 CA PHE A 15 -2.418 -2.946 -0.910 1.00 0.00 C ATOM 225 C PHE A 15 -2.331 -1.797 -1.929 1.00 0.00 C ATOM 226 O PHE A 15 -2.581 -1.993 -3.105 1.00 0.00 O ATOM 227 CB PHE A 15 -3.866 -3.140 -0.436 1.00 0.00 C ATOM 228 CG PHE A 15 -4.765 -3.441 -1.618 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.439 -4.474 -2.505 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.923 -2.680 -1.826 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.271 -4.746 -3.599 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.752 -2.951 -2.920 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.427 -3.984 -3.806 1.00 0.00 C ATOM 0 H PHE A 15 -2.211 -2.385 1.143 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.027 -3.831 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.915 -3.956 0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.213 -2.242 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.546 -5.061 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.176 -1.884 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.020 -5.544 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.643 -2.363 -3.081 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.068 -4.194 -4.650 1.00 0.00 H new ATOM 243 N PHE A 16 -1.995 -0.607 -1.494 1.00 0.00 N ATOM 244 CA PHE A 16 -1.915 0.541 -2.451 1.00 0.00 C ATOM 245 C PHE A 16 -0.674 0.425 -3.334 1.00 0.00 C ATOM 246 O PHE A 16 -0.686 0.845 -4.476 1.00 0.00 O ATOM 247 CB PHE A 16 -1.846 1.795 -1.583 1.00 0.00 C ATOM 248 CG PHE A 16 -2.212 3.003 -2.412 1.00 0.00 C ATOM 249 CD1 PHE A 16 -3.553 3.379 -2.547 1.00 0.00 C ATOM 250 CD2 PHE A 16 -1.209 3.748 -3.044 1.00 0.00 C ATOM 251 CE1 PHE A 16 -3.893 4.500 -3.315 1.00 0.00 C ATOM 252 CE2 PHE A 16 -1.547 4.868 -3.813 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.890 5.244 -3.947 1.00 0.00 C ATOM 0 H PHE A 16 -1.774 -0.382 -0.524 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.773 0.564 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.526 1.702 -0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.842 1.912 -1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.326 2.805 -2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.174 3.458 -2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.928 4.790 -3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.774 5.441 -4.302 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.152 6.109 -4.539 1.00 0.00 H new ATOM 263 N LEU A 17 0.382 -0.173 -2.837 1.00 0.00 N ATOM 264 CA LEU A 17 1.595 -0.340 -3.692 1.00 0.00 C ATOM 265 C LEU A 17 1.235 -1.350 -4.780 1.00 0.00 C ATOM 266 O LEU A 17 1.070 -0.996 -5.930 1.00 0.00 O ATOM 267 CB LEU A 17 2.707 -0.883 -2.777 1.00 0.00 C ATOM 268 CG LEU A 17 3.274 0.214 -1.847 1.00 0.00 C ATOM 269 CD1 LEU A 17 3.636 1.482 -2.633 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.245 0.562 -0.772 1.00 0.00 C ATOM 0 H LEU A 17 0.455 -0.547 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 17 1.929 0.586 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.314 -1.702 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.512 -1.293 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 17 4.181 -0.174 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.032 2.233 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.389 1.242 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.745 1.872 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.649 1.336 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.333 0.926 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.018 -0.327 -0.184 1.00 0.00 H new ATOM 282 N PHE A 18 1.111 -2.608 -4.397 1.00 0.00 N ATOM 283 CA PHE A 18 0.739 -3.713 -5.358 1.00 0.00 C ATOM 284 C PHE A 18 -0.245 -3.206 -6.436 1.00 0.00 C ATOM 285 O PHE A 18 0.001 -3.342 -7.619 1.00 0.00 O ATOM 286 CB PHE A 18 0.088 -4.780 -4.460 1.00 0.00 C ATOM 287 CG PHE A 18 -0.514 -5.899 -5.287 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.288 -6.960 -5.723 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.878 -5.880 -5.600 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.275 -8.000 -6.476 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.442 -6.920 -6.348 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.640 -7.981 -6.787 1.00 0.00 C ATOM 0 H PHE A 18 1.255 -2.922 -3.437 1.00 0.00 H new ATOM 0 HA PHE A 18 1.597 -4.099 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.833 -5.189 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.687 -4.320 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.340 -6.978 -5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.497 -5.061 -5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.345 -8.816 -6.816 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.495 -6.904 -6.587 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.074 -8.784 -7.365 1.00 0.00 H new ATOM 302 N CYS A 19 -1.352 -2.625 -6.034 1.00 0.00 N ATOM 303 CA CYS A 19 -2.333 -2.114 -7.039 1.00 0.00 C ATOM 304 C CYS A 19 -1.729 -0.947 -7.829 1.00 0.00 C ATOM 305 O CYS A 19 -1.891 -0.855 -9.031 1.00 0.00 O ATOM 306 CB CYS A 19 -3.541 -1.643 -6.220 1.00 0.00 C ATOM 307 SG CYS A 19 -4.849 -1.048 -7.327 1.00 0.00 S ATOM 0 H CYS A 19 -1.615 -2.484 -5.059 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.609 -2.878 -7.766 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.917 -2.462 -5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.240 -0.847 -5.538 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.868 -0.654 -6.622 1.00 0.00 H new ATOM 313 N SER A 20 -1.043 -0.053 -7.162 1.00 0.00 N ATOM 314 CA SER A 20 -0.438 1.119 -7.871 1.00 0.00 C ATOM 315 C SER A 20 0.515 0.656 -8.981 1.00 0.00 C ATOM 316 O SER A 20 0.758 1.377 -9.931 1.00 0.00 O ATOM 317 CB SER A 20 0.331 1.892 -6.799 1.00 0.00 C ATOM 318 OG SER A 20 1.108 2.907 -7.419 1.00 0.00 O ATOM 0 H SER A 20 -0.875 -0.083 -6.156 1.00 0.00 H new ATOM 0 HA SER A 20 -1.201 1.733 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.363 2.335 -6.085 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.976 1.215 -6.239 1.00 0.00 H new ATOM 0 HG SER A 20 1.601 3.406 -6.734 1.00 0.00 H new ATOM 324 N GLU A 21 1.062 -0.529 -8.865 1.00 0.00 N ATOM 325 CA GLU A 21 2.007 -1.019 -9.916 1.00 0.00 C ATOM 326 C GLU A 21 1.316 -2.001 -10.870 1.00 0.00 C ATOM 327 O GLU A 21 1.777 -2.220 -11.975 1.00 0.00 O ATOM 328 CB GLU A 21 3.145 -1.708 -9.152 1.00 0.00 C ATOM 329 CG GLU A 21 2.595 -2.866 -8.314 1.00 0.00 C ATOM 330 CD GLU A 21 3.738 -3.807 -7.934 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.828 -3.316 -7.691 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.503 -5.004 -7.891 1.00 0.00 O ATOM 0 H GLU A 21 0.896 -1.175 -8.093 1.00 0.00 H new ATOM 0 HA GLU A 21 2.373 -0.201 -10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.891 -2.080 -9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.647 -0.988 -8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.112 -2.482 -7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.835 -3.408 -8.877 1.00 0.00 H new ATOM 339 N HIS A 22 0.220 -2.597 -10.461 1.00 0.00 N ATOM 340 CA HIS A 22 -0.488 -3.564 -11.357 1.00 0.00 C ATOM 341 C HIS A 22 -1.516 -2.831 -12.224 1.00 0.00 C ATOM 342 O HIS A 22 -1.716 -3.165 -13.374 1.00 0.00 O ATOM 343 CB HIS A 22 -1.186 -4.540 -10.412 1.00 0.00 C ATOM 344 CG HIS A 22 -0.280 -5.709 -10.138 1.00 0.00 C ATOM 345 ND1 HIS A 22 -0.101 -6.736 -11.053 1.00 0.00 N ATOM 346 CD2 HIS A 22 0.504 -6.027 -9.058 1.00 0.00 C ATOM 347 CE1 HIS A 22 0.761 -7.615 -10.510 1.00 0.00 C ATOM 348 NE2 HIS A 22 1.161 -7.232 -9.294 1.00 0.00 N ATOM 0 H HIS A 22 -0.213 -2.455 -9.548 1.00 0.00 H new ATOM 0 HA HIS A 22 0.196 -4.071 -12.037 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.442 -4.039 -9.479 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -2.120 -4.886 -10.855 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.597 -5.433 -8.161 1.00 0.00 H new ATOM 0 HE1 HIS A 22 1.090 -8.521 -10.998 1.00 0.00 H new ATOM 0 HE2 HIS A 22 1.808 -7.717 -8.673 1.00 0.00 H new ATOM 356 N ARG A 23 -2.186 -1.848 -11.663 1.00 0.00 N ATOM 357 CA ARG A 23 -3.233 -1.079 -12.421 1.00 0.00 C ATOM 358 C ARG A 23 -2.799 -0.746 -13.867 1.00 0.00 C ATOM 359 O ARG A 23 -3.548 -1.010 -14.789 1.00 0.00 O ATOM 360 CB ARG A 23 -3.451 0.201 -11.610 1.00 0.00 C ATOM 361 CG ARG A 23 -4.899 0.669 -11.777 1.00 0.00 C ATOM 362 CD ARG A 23 -4.980 2.173 -11.513 1.00 0.00 C ATOM 363 NE ARG A 23 -4.863 2.310 -10.034 1.00 0.00 N ATOM 364 CZ ARG A 23 -5.937 2.366 -9.296 1.00 0.00 C ATOM 365 NH1 ARG A 23 -6.525 1.264 -8.914 1.00 0.00 N ATOM 366 NH2 ARG A 23 -6.426 3.522 -8.940 1.00 0.00 N ATOM 0 H ARG A 23 -2.051 -1.541 -10.700 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.144 -1.668 -12.528 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.235 0.019 -10.557 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.765 0.979 -11.946 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.251 0.446 -12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.549 0.132 -11.086 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.179 2.707 -12.024 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.921 2.587 -11.875 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.942 2.360 -9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.144 0.360 -9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.365 1.308 -8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.968 4.383 -9.239 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.266 3.565 -8.363 1.00 0.00 H new ATOM 380 N PRO A 24 -1.613 -0.193 -14.046 1.00 0.00 N ATOM 381 CA PRO A 24 -1.151 0.132 -15.423 1.00 0.00 C ATOM 382 C PRO A 24 -0.860 -1.154 -16.206 1.00 0.00 C ATOM 383 O PRO A 24 -0.889 -1.165 -17.422 1.00 0.00 O ATOM 384 CB PRO A 24 0.121 0.943 -15.200 1.00 0.00 C ATOM 385 CG PRO A 24 0.612 0.524 -13.854 1.00 0.00 C ATOM 386 CD PRO A 24 -0.604 0.180 -13.034 1.00 0.00 C ATOM 0 HA PRO A 24 -1.893 0.678 -16.006 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.862 0.737 -15.973 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.082 2.013 -15.231 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.278 -0.335 -13.936 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.181 1.326 -13.384 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.404 -0.641 -12.346 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.934 1.027 -12.432 1.00 0.00 H new ATOM 394 N LYS A 25 -0.594 -2.239 -15.519 1.00 0.00 N ATOM 395 CA LYS A 25 -0.316 -3.527 -16.224 1.00 0.00 C ATOM 396 C LYS A 25 -1.627 -4.123 -16.743 1.00 0.00 C ATOM 397 O LYS A 25 -1.677 -4.703 -17.811 1.00 0.00 O ATOM 398 CB LYS A 25 0.308 -4.439 -15.166 1.00 0.00 C ATOM 399 CG LYS A 25 0.901 -5.675 -15.845 1.00 0.00 C ATOM 400 CD LYS A 25 2.275 -5.331 -16.425 1.00 0.00 C ATOM 401 CE LYS A 25 3.016 -6.620 -16.786 1.00 0.00 C ATOM 402 NZ LYS A 25 4.441 -6.214 -16.934 1.00 0.00 N ATOM 0 H LYS A 25 -0.558 -2.287 -14.501 1.00 0.00 H new ATOM 0 HA LYS A 25 0.344 -3.398 -17.082 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.084 -3.903 -14.620 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.446 -4.737 -14.437 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.992 -6.489 -15.126 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.237 -6.021 -16.637 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.161 -4.705 -17.310 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.854 -4.757 -15.701 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.899 -7.374 -16.008 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.630 -7.052 -17.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.015 -7.045 -17.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.522 -5.500 -17.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.783 -5.813 -16.037 1.00 0.00 H new ATOM 416 N ILE A 26 -2.691 -3.975 -15.993 1.00 0.00 N ATOM 417 CA ILE A 26 -4.011 -4.520 -16.435 1.00 0.00 C ATOM 418 C ILE A 26 -4.576 -3.689 -17.598 1.00 0.00 C ATOM 419 O ILE A 26 -5.539 -4.080 -18.225 1.00 0.00 O ATOM 420 CB ILE A 26 -4.926 -4.414 -15.204 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.338 -5.236 -14.045 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.328 -4.936 -15.541 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.203 -6.710 -14.448 1.00 0.00 C ATOM 0 H ILE A 26 -2.702 -3.499 -15.091 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.927 -5.546 -16.793 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.996 -3.367 -14.908 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.362 -4.838 -13.767 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.979 -5.150 -13.168 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.967 -4.856 -14.662 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.751 -4.344 -16.352 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.263 -5.980 -15.849 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.785 -7.278 -13.617 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.185 -7.109 -14.703 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.543 -6.792 -15.311 1.00 0.00 H new ATOM 435 N LYS A 27 -3.986 -2.554 -17.895 1.00 0.00 N ATOM 436 CA LYS A 27 -4.498 -1.713 -19.019 1.00 0.00 C ATOM 437 C LYS A 27 -4.031 -2.268 -20.371 1.00 0.00 C ATOM 438 O LYS A 27 -4.617 -1.983 -21.398 1.00 0.00 O ATOM 439 CB LYS A 27 -3.915 -0.323 -18.769 1.00 0.00 C ATOM 440 CG LYS A 27 -4.836 0.448 -17.824 1.00 0.00 C ATOM 441 CD LYS A 27 -4.380 1.906 -17.739 1.00 0.00 C ATOM 442 CE LYS A 27 -5.544 2.779 -17.264 1.00 0.00 C ATOM 443 NZ LYS A 27 -4.918 4.070 -16.865 1.00 0.00 N ATOM 0 H LYS A 27 -3.174 -2.177 -17.407 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.587 -1.697 -19.056 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.918 -0.407 -18.336 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.809 0.215 -19.711 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.864 0.398 -18.182 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.821 -0.007 -16.834 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.540 1.996 -17.050 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.031 2.246 -18.714 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.278 2.924 -18.057 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.067 2.318 -16.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.654 4.723 -16.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.229 3.901 -16.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.433 4.489 -17.684 1.00 0.00 H new ATOM 457 N SER A 28 -2.983 -3.057 -20.380 1.00 0.00 N ATOM 458 CA SER A 28 -2.483 -3.630 -21.667 1.00 0.00 C ATOM 459 C SER A 28 -3.363 -4.805 -22.106 1.00 0.00 C ATOM 460 O SER A 28 -3.684 -4.949 -23.271 1.00 0.00 O ATOM 461 CB SER A 28 -1.062 -4.107 -21.367 1.00 0.00 C ATOM 462 OG SER A 28 -0.399 -4.406 -22.589 1.00 0.00 O ATOM 0 H SER A 28 -2.453 -3.328 -19.551 1.00 0.00 H new ATOM 0 HA SER A 28 -2.505 -2.900 -22.476 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.515 -3.337 -20.822 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.090 -4.991 -20.729 1.00 0.00 H new ATOM 0 HG SER A 28 0.513 -4.711 -22.400 1.00 0.00 H new ATOM 468 N GLU A 29 -3.751 -5.647 -21.180 1.00 0.00 N ATOM 469 CA GLU A 29 -4.609 -6.820 -21.536 1.00 0.00 C ATOM 470 C GLU A 29 -6.102 -6.497 -21.353 1.00 0.00 C ATOM 471 O GLU A 29 -6.947 -7.359 -21.506 1.00 0.00 O ATOM 472 CB GLU A 29 -4.182 -7.925 -20.569 1.00 0.00 C ATOM 473 CG GLU A 29 -2.832 -8.493 -21.007 1.00 0.00 C ATOM 474 CD GLU A 29 -3.024 -9.367 -22.248 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.093 -8.814 -23.333 1.00 0.00 O ATOM 476 OE2 GLU A 29 -3.097 -10.575 -22.091 1.00 0.00 O ATOM 0 H GLU A 29 -3.510 -5.573 -20.192 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.485 -7.106 -22.580 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.110 -7.529 -19.556 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.932 -8.716 -20.550 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.138 -7.682 -21.225 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.393 -9.080 -20.200 1.00 0.00 H new ATOM 483 N HIS A 30 -6.438 -5.264 -21.045 1.00 0.00 N ATOM 484 CA HIS A 30 -7.877 -4.892 -20.872 1.00 0.00 C ATOM 485 C HIS A 30 -8.071 -3.408 -21.222 1.00 0.00 C ATOM 486 O HIS A 30 -8.133 -2.571 -20.343 1.00 0.00 O ATOM 487 CB HIS A 30 -8.222 -5.134 -19.397 1.00 0.00 C ATOM 488 CG HIS A 30 -7.960 -6.566 -19.022 1.00 0.00 C ATOM 489 ND1 HIS A 30 -8.946 -7.538 -19.076 1.00 0.00 N ATOM 490 CD2 HIS A 30 -6.832 -7.200 -18.573 1.00 0.00 C ATOM 491 CE1 HIS A 30 -8.395 -8.696 -18.666 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.106 -8.545 -18.347 1.00 0.00 N ATOM 0 H HIS A 30 -5.776 -4.501 -20.906 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.521 -5.482 -21.524 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.629 -4.472 -18.766 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.269 -4.891 -19.218 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.874 -6.727 -18.418 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.929 -9.632 -18.603 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.462 -9.261 -18.011 1.00 0.00 H new ATOM 500 N PRO A 31 -8.164 -3.121 -22.500 1.00 0.00 N ATOM 501 CA PRO A 31 -8.356 -1.716 -22.943 1.00 0.00 C ATOM 502 C PRO A 31 -9.731 -1.206 -22.503 1.00 0.00 C ATOM 503 O PRO A 31 -10.749 -1.589 -23.049 1.00 0.00 O ATOM 504 CB PRO A 31 -8.259 -1.805 -24.466 1.00 0.00 C ATOM 505 CG PRO A 31 -8.621 -3.220 -24.784 1.00 0.00 C ATOM 506 CD PRO A 31 -8.104 -4.048 -23.640 1.00 0.00 C ATOM 0 HA PRO A 31 -7.628 -1.024 -22.519 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.940 -1.104 -24.948 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.254 -1.565 -24.814 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.700 -3.332 -24.890 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.173 -3.535 -25.727 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.719 -4.932 -23.473 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.087 -4.397 -23.822 1.00 0.00 H new ATOM 514 N GLY A 32 -9.764 -0.350 -21.513 1.00 0.00 N ATOM 515 CA GLY A 32 -11.068 0.186 -21.020 1.00 0.00 C ATOM 516 C GLY A 32 -11.297 -0.254 -19.568 1.00 0.00 C ATOM 517 O GLY A 32 -12.076 0.343 -18.852 1.00 0.00 O ATOM 0 H GLY A 32 -8.941 0.001 -21.024 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.072 1.274 -21.085 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.881 -0.174 -21.651 1.00 0.00 H new ATOM 521 N LEU A 33 -10.637 -1.307 -19.136 1.00 0.00 N ATOM 522 CA LEU A 33 -10.812 -1.818 -17.731 1.00 0.00 C ATOM 523 C LEU A 33 -10.792 -0.685 -16.699 1.00 0.00 C ATOM 524 O LEU A 33 -9.829 0.046 -16.571 1.00 0.00 O ATOM 525 CB LEU A 33 -9.624 -2.764 -17.508 1.00 0.00 C ATOM 526 CG LEU A 33 -10.059 -4.009 -16.720 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.558 -3.595 -15.338 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.179 -4.746 -17.462 1.00 0.00 C ATOM 0 H LEU A 33 -9.977 -1.841 -19.702 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.776 -2.312 -17.608 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.207 -3.064 -18.469 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.835 -2.243 -16.966 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.201 -4.674 -16.618 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.866 -4.481 -14.782 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.758 -3.088 -14.799 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.407 -2.920 -15.445 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.476 -5.626 -16.891 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.036 -4.083 -17.579 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.823 -5.055 -18.445 1.00 0.00 H new ATOM 540 N SER A 34 -11.864 -0.553 -15.965 1.00 0.00 N ATOM 541 CA SER A 34 -11.952 0.513 -14.927 1.00 0.00 C ATOM 542 C SER A 34 -11.309 0.029 -13.624 1.00 0.00 C ATOM 543 O SER A 34 -10.599 -0.959 -13.606 1.00 0.00 O ATOM 544 CB SER A 34 -13.454 0.748 -14.738 1.00 0.00 C ATOM 545 OG SER A 34 -14.140 -0.499 -14.783 1.00 0.00 O ATOM 0 H SER A 34 -12.691 -1.145 -16.042 1.00 0.00 H new ATOM 0 HA SER A 34 -11.431 1.426 -15.216 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.638 1.242 -13.784 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.830 1.410 -15.518 1.00 0.00 H new ATOM 0 HG SER A 34 -15.101 -0.349 -14.660 1.00 0.00 H new ATOM 551 N ILE A 35 -11.552 0.715 -12.534 1.00 0.00 N ATOM 552 CA ILE A 35 -10.954 0.294 -11.228 1.00 0.00 C ATOM 553 C ILE A 35 -11.884 -0.690 -10.496 1.00 0.00 C ATOM 554 O ILE A 35 -11.731 -0.926 -9.312 1.00 0.00 O ATOM 555 CB ILE A 35 -10.804 1.590 -10.420 1.00 0.00 C ATOM 556 CG1 ILE A 35 -9.948 2.607 -11.197 1.00 0.00 C ATOM 557 CG2 ILE A 35 -10.136 1.285 -9.075 1.00 0.00 C ATOM 558 CD1 ILE A 35 -8.556 2.026 -11.483 1.00 0.00 C ATOM 0 H ILE A 35 -12.139 1.548 -12.492 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.001 -0.218 -11.364 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.794 2.014 -10.250 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.441 2.866 -12.134 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.854 3.528 -10.621 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.031 2.207 -8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.750 0.579 -8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.151 0.851 -9.248 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.963 2.757 -12.033 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.060 1.790 -10.542 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.656 1.118 -12.078 1.00 0.00 H new ATOM 570 N GLY A 36 -12.840 -1.268 -11.187 1.00 0.00 N ATOM 571 CA GLY A 36 -13.768 -2.233 -10.527 1.00 0.00 C ATOM 572 C GLY A 36 -13.257 -3.659 -10.739 1.00 0.00 C ATOM 573 O GLY A 36 -12.940 -4.359 -9.795 1.00 0.00 O ATOM 0 H GLY A 36 -13.015 -1.111 -12.180 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.838 -2.015 -9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.771 -2.130 -10.940 1.00 0.00 H new ATOM 577 N ASP A 37 -13.174 -4.093 -11.972 1.00 0.00 N ATOM 578 CA ASP A 37 -12.680 -5.476 -12.251 1.00 0.00 C ATOM 579 C ASP A 37 -11.219 -5.604 -11.818 1.00 0.00 C ATOM 580 O ASP A 37 -10.846 -6.532 -11.127 1.00 0.00 O ATOM 581 CB ASP A 37 -12.807 -5.656 -13.765 1.00 0.00 C ATOM 582 CG ASP A 37 -14.253 -6.014 -14.117 1.00 0.00 C ATOM 583 OD1 ASP A 37 -14.563 -7.194 -14.130 1.00 0.00 O ATOM 584 OD2 ASP A 37 -15.024 -5.103 -14.368 1.00 0.00 O ATOM 0 H ASP A 37 -13.427 -3.549 -12.797 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.246 -6.232 -11.708 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.513 -4.740 -14.277 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.133 -6.442 -14.106 1.00 0.00 H new ATOM 589 N THR A 38 -10.391 -4.674 -12.222 1.00 0.00 N ATOM 590 CA THR A 38 -8.944 -4.726 -11.842 1.00 0.00 C ATOM 591 C THR A 38 -8.806 -4.733 -10.310 1.00 0.00 C ATOM 592 O THR A 38 -7.988 -5.447 -9.761 1.00 0.00 O ATOM 593 CB THR A 38 -8.329 -3.460 -12.475 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.241 -3.643 -13.879 1.00 0.00 O ATOM 595 CG2 THR A 38 -6.922 -3.194 -11.920 1.00 0.00 C ATOM 0 H THR A 38 -10.655 -3.877 -12.801 1.00 0.00 H new ATOM 0 HA THR A 38 -8.438 -5.625 -12.193 1.00 0.00 H new ATOM 0 HB THR A 38 -8.965 -2.608 -12.236 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.853 -2.842 -14.290 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.512 -2.296 -12.383 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.977 -3.053 -10.841 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.277 -4.044 -12.142 1.00 0.00 H new ATOM 603 N ALA A 39 -9.604 -3.955 -9.626 1.00 0.00 N ATOM 604 CA ALA A 39 -9.525 -3.923 -8.133 1.00 0.00 C ATOM 605 C ALA A 39 -9.972 -5.270 -7.561 1.00 0.00 C ATOM 606 O ALA A 39 -9.483 -5.713 -6.540 1.00 0.00 O ATOM 607 CB ALA A 39 -10.483 -2.811 -7.699 1.00 0.00 C ATOM 0 H ALA A 39 -10.307 -3.340 -10.036 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.511 -3.740 -7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.477 -2.730 -6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.164 -1.865 -8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.491 -3.046 -8.040 1.00 0.00 H new ATOM 613 N LYS A 40 -10.895 -5.922 -8.220 1.00 0.00 N ATOM 614 CA LYS A 40 -11.381 -7.246 -7.729 1.00 0.00 C ATOM 615 C LYS A 40 -10.358 -8.337 -8.054 1.00 0.00 C ATOM 616 O LYS A 40 -10.251 -9.327 -7.356 1.00 0.00 O ATOM 617 CB LYS A 40 -12.688 -7.497 -8.483 1.00 0.00 C ATOM 618 CG LYS A 40 -13.829 -6.743 -7.796 1.00 0.00 C ATOM 619 CD LYS A 40 -15.036 -6.681 -8.734 1.00 0.00 C ATOM 620 CE LYS A 40 -16.021 -5.623 -8.231 1.00 0.00 C ATOM 621 NZ LYS A 40 -17.105 -5.592 -9.251 1.00 0.00 N ATOM 0 H LYS A 40 -11.334 -5.593 -9.080 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.527 -7.256 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.592 -7.168 -9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.907 -8.565 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.102 -7.243 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.507 -5.735 -7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.711 -6.439 -9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.524 -7.655 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.412 -5.883 -7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.540 -4.649 -8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.820 -4.889 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.704 -5.335 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.549 -6.530 -9.315 1.00 0.00 H new ATOM 635 N LYS A 41 -9.603 -8.159 -9.110 1.00 0.00 N ATOM 636 CA LYS A 41 -8.581 -9.181 -9.489 1.00 0.00 C ATOM 637 C LYS A 41 -7.246 -8.894 -8.789 1.00 0.00 C ATOM 638 O LYS A 41 -6.420 -9.773 -8.633 1.00 0.00 O ATOM 639 CB LYS A 41 -8.431 -9.044 -11.005 1.00 0.00 C ATOM 640 CG LYS A 41 -7.869 -10.345 -11.581 1.00 0.00 C ATOM 641 CD LYS A 41 -7.379 -10.101 -13.011 1.00 0.00 C ATOM 642 CE LYS A 41 -8.577 -10.082 -13.964 1.00 0.00 C ATOM 643 NZ LYS A 41 -8.081 -9.397 -15.189 1.00 0.00 N ATOM 0 H LYS A 41 -9.651 -7.348 -9.727 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.879 -10.187 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.397 -8.820 -11.458 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.768 -8.212 -11.242 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.048 -10.705 -10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.636 -11.119 -11.575 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.842 -9.154 -13.066 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.679 -10.883 -13.305 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.920 -11.092 -14.188 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.421 -9.548 -13.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.846 -9.345 -15.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.768 -8.436 -14.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.282 -9.932 -15.586 1.00 0.00 H new ATOM 657 N LEU A 42 -7.032 -7.672 -8.365 1.00 0.00 N ATOM 658 CA LEU A 42 -5.755 -7.327 -7.672 1.00 0.00 C ATOM 659 C LEU A 42 -5.842 -7.714 -6.197 1.00 0.00 C ATOM 660 O LEU A 42 -5.061 -8.507 -5.710 1.00 0.00 O ATOM 661 CB LEU A 42 -5.621 -5.813 -7.816 1.00 0.00 C ATOM 662 CG LEU A 42 -4.653 -5.488 -8.952 1.00 0.00 C ATOM 663 CD1 LEU A 42 -5.252 -5.927 -10.287 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.412 -3.984 -8.978 1.00 0.00 C ATOM 0 H LEU A 42 -7.689 -6.899 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.899 -7.854 -8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.596 -5.369 -8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.261 -5.380 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.713 -6.016 -8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.556 -5.692 -11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.436 -7.001 -10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.192 -5.401 -10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.722 -3.740 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.358 -3.467 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.984 -3.668 -8.027 1.00 0.00 H new ATOM 676 N GLY A 43 -6.795 -7.159 -5.483 1.00 0.00 N ATOM 677 CA GLY A 43 -6.950 -7.490 -4.028 1.00 0.00 C ATOM 678 C GLY A 43 -6.999 -9.010 -3.845 1.00 0.00 C ATOM 679 O GLY A 43 -6.597 -9.536 -2.824 1.00 0.00 O ATOM 0 H GLY A 43 -7.474 -6.490 -5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.119 -7.073 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.862 -7.038 -3.638 1.00 0.00 H new ATOM 683 N GLU A 44 -7.462 -9.718 -4.847 1.00 0.00 N ATOM 684 CA GLU A 44 -7.508 -11.205 -4.754 1.00 0.00 C ATOM 685 C GLU A 44 -6.085 -11.746 -4.884 1.00 0.00 C ATOM 686 O GLU A 44 -5.680 -12.637 -4.162 1.00 0.00 O ATOM 687 CB GLU A 44 -8.372 -11.661 -5.932 1.00 0.00 C ATOM 688 CG GLU A 44 -8.770 -13.125 -5.736 1.00 0.00 C ATOM 689 CD GLU A 44 -7.601 -14.030 -6.130 1.00 0.00 C ATOM 690 OE1 GLU A 44 -7.388 -14.207 -7.318 1.00 0.00 O ATOM 691 OE2 GLU A 44 -6.939 -14.530 -5.236 1.00 0.00 O ATOM 0 H GLU A 44 -7.809 -9.328 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.918 -11.561 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.263 -11.038 -6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.823 -11.544 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.046 -13.302 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.645 -13.359 -6.342 1.00 0.00 H new ATOM 698 N MET A 45 -5.319 -11.197 -5.795 1.00 0.00 N ATOM 699 CA MET A 45 -3.909 -11.655 -5.975 1.00 0.00 C ATOM 700 C MET A 45 -3.044 -11.109 -4.835 1.00 0.00 C ATOM 701 O MET A 45 -2.201 -11.801 -4.299 1.00 0.00 O ATOM 702 CB MET A 45 -3.467 -11.070 -7.321 1.00 0.00 C ATOM 703 CG MET A 45 -3.603 -12.135 -8.412 1.00 0.00 C ATOM 704 SD MET A 45 -2.753 -11.576 -9.910 1.00 0.00 S ATOM 705 CE MET A 45 -4.173 -11.675 -11.027 1.00 0.00 C ATOM 0 H MET A 45 -5.612 -10.449 -6.423 1.00 0.00 H new ATOM 0 HA MET A 45 -3.814 -12.741 -5.961 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.076 -10.201 -7.569 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.434 -10.728 -7.259 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.177 -13.078 -8.070 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.656 -12.320 -8.626 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.823 -11.703 -12.059 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.742 -12.579 -10.813 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.810 -10.803 -10.883 1.00 0.00 H new ATOM 715 N TRP A 46 -3.261 -9.869 -4.451 1.00 0.00 N ATOM 716 CA TRP A 46 -2.467 -9.260 -3.329 1.00 0.00 C ATOM 717 C TRP A 46 -2.488 -10.192 -2.104 1.00 0.00 C ATOM 718 O TRP A 46 -1.476 -10.420 -1.469 1.00 0.00 O ATOM 719 CB TRP A 46 -3.170 -7.923 -3.028 1.00 0.00 C ATOM 720 CG TRP A 46 -2.583 -7.299 -1.800 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.271 -6.961 -0.686 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.198 -6.951 -1.549 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.390 -6.423 0.235 1.00 0.00 N ATOM 724 CE2 TRP A 46 -1.098 -6.395 -0.253 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.030 -7.062 -2.318 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.124 -5.967 0.261 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.200 -6.631 -1.804 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.276 -6.086 -0.520 1.00 0.00 C ATOM 0 H TRP A 46 -3.956 -9.250 -4.868 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.418 -9.110 -3.586 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -3.062 -7.247 -3.876 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.238 -8.088 -2.886 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.333 -7.090 -0.539 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.661 -6.088 1.160 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.079 -7.482 -3.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.180 -5.547 1.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.094 -6.721 -2.403 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.228 -5.756 -0.130 1.00 0.00 H new ATOM 739 N SER A 47 -3.636 -10.737 -1.786 1.00 0.00 N ATOM 740 CA SER A 47 -3.731 -11.665 -0.617 1.00 0.00 C ATOM 741 C SER A 47 -3.068 -13.016 -0.936 1.00 0.00 C ATOM 742 O SER A 47 -2.985 -13.882 -0.085 1.00 0.00 O ATOM 743 CB SER A 47 -5.230 -11.852 -0.377 1.00 0.00 C ATOM 744 OG SER A 47 -5.427 -12.515 0.866 1.00 0.00 O ATOM 0 H SER A 47 -4.511 -10.579 -2.285 1.00 0.00 H new ATOM 0 HA SER A 47 -3.220 -11.265 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.733 -10.885 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.670 -12.434 -1.187 1.00 0.00 H new ATOM 0 HG SER A 47 -4.642 -13.064 1.072 1.00 0.00 H new ATOM 750 N GLU A 48 -2.588 -13.203 -2.145 1.00 0.00 N ATOM 751 CA GLU A 48 -1.927 -14.487 -2.508 1.00 0.00 C ATOM 752 C GLU A 48 -0.426 -14.281 -2.716 1.00 0.00 C ATOM 753 O GLU A 48 0.317 -15.237 -2.840 1.00 0.00 O ATOM 754 CB GLU A 48 -2.595 -14.912 -3.816 1.00 0.00 C ATOM 755 CG GLU A 48 -4.004 -15.435 -3.524 1.00 0.00 C ATOM 756 CD GLU A 48 -3.937 -16.930 -3.210 1.00 0.00 C ATOM 757 OE1 GLU A 48 -3.546 -17.267 -2.105 1.00 0.00 O ATOM 758 OE2 GLU A 48 -4.280 -17.713 -4.081 1.00 0.00 O ATOM 0 H GLU A 48 -2.629 -12.514 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.032 -15.239 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.644 -14.067 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.003 -15.686 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.437 -14.895 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.653 -15.261 -4.382 1.00 0.00 H new ATOM 765 N GLN A 49 0.036 -13.051 -2.747 1.00 0.00 N ATOM 766 CA GLN A 49 1.494 -12.817 -2.935 1.00 0.00 C ATOM 767 C GLN A 49 2.236 -13.215 -1.664 1.00 0.00 C ATOM 768 O GLN A 49 1.734 -13.063 -0.567 1.00 0.00 O ATOM 769 CB GLN A 49 1.640 -11.309 -3.207 1.00 0.00 C ATOM 770 CG GLN A 49 2.044 -11.070 -4.666 1.00 0.00 C ATOM 771 CD GLN A 49 0.988 -11.654 -5.609 1.00 0.00 C ATOM 772 OE1 GLN A 49 1.219 -12.661 -6.248 1.00 0.00 O ATOM 773 NE2 GLN A 49 -0.166 -11.062 -5.722 1.00 0.00 N ATOM 0 H GLN A 49 -0.533 -12.210 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 49 1.910 -13.404 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.699 -10.801 -2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.390 -10.883 -2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.155 -10.001 -4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.012 -11.530 -4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.360 -10.216 -5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.876 -11.444 -6.347 1.00 0.00 H new ATOM 782 N SER A 50 3.433 -13.702 -1.807 1.00 0.00 N ATOM 783 CA SER A 50 4.239 -14.093 -0.616 1.00 0.00 C ATOM 784 C SER A 50 5.129 -12.914 -0.212 1.00 0.00 C ATOM 785 O SER A 50 4.793 -11.771 -0.457 1.00 0.00 O ATOM 786 CB SER A 50 5.078 -15.284 -1.081 1.00 0.00 C ATOM 787 OG SER A 50 6.050 -14.837 -2.017 1.00 0.00 O ATOM 0 H SER A 50 3.894 -13.848 -2.705 1.00 0.00 H new ATOM 0 HA SER A 50 3.631 -14.354 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.567 -15.754 -0.228 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.437 -16.039 -1.537 1.00 0.00 H new ATOM 0 HG SER A 50 6.591 -15.598 -2.316 1.00 0.00 H new ATOM 793 N ALA A 51 6.260 -13.174 0.393 1.00 0.00 N ATOM 794 CA ALA A 51 7.164 -12.054 0.795 1.00 0.00 C ATOM 795 C ALA A 51 7.835 -11.426 -0.439 1.00 0.00 C ATOM 796 O ALA A 51 8.447 -10.380 -0.348 1.00 0.00 O ATOM 797 CB ALA A 51 8.212 -12.692 1.710 1.00 0.00 C ATOM 0 H ALA A 51 6.596 -14.109 0.625 1.00 0.00 H new ATOM 0 HA ALA A 51 6.619 -11.253 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.914 -11.929 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.718 -13.137 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.751 -13.465 1.162 1.00 0.00 H new ATOM 803 N LYS A 52 7.727 -12.053 -1.590 1.00 0.00 N ATOM 804 CA LYS A 52 8.364 -11.482 -2.820 1.00 0.00 C ATOM 805 C LYS A 52 7.627 -10.213 -3.259 1.00 0.00 C ATOM 806 O LYS A 52 8.240 -9.204 -3.556 1.00 0.00 O ATOM 807 CB LYS A 52 8.233 -12.572 -3.885 1.00 0.00 C ATOM 808 CG LYS A 52 9.364 -12.425 -4.905 1.00 0.00 C ATOM 809 CD LYS A 52 9.217 -13.494 -5.990 1.00 0.00 C ATOM 810 CE LYS A 52 10.033 -13.090 -7.220 1.00 0.00 C ATOM 811 NZ LYS A 52 11.455 -13.265 -6.811 1.00 0.00 N ATOM 0 H LYS A 52 7.227 -12.931 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 52 9.404 -11.204 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.274 -13.557 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.267 -12.495 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.337 -11.432 -5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.330 -12.525 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.560 -14.458 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.167 -13.612 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.789 -13.715 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.829 -12.059 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.062 -13.257 -7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.732 -12.488 -6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.564 -14.172 -6.314 1.00 0.00 H new ATOM 825 N ASP A 53 6.318 -10.255 -3.295 1.00 0.00 N ATOM 826 CA ASP A 53 5.536 -9.050 -3.707 1.00 0.00 C ATOM 827 C ASP A 53 4.532 -8.679 -2.614 1.00 0.00 C ATOM 828 O ASP A 53 3.333 -8.655 -2.828 1.00 0.00 O ATOM 829 CB ASP A 53 4.804 -9.457 -4.981 1.00 0.00 C ATOM 830 CG ASP A 53 5.593 -8.982 -6.204 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.529 -9.667 -6.582 1.00 0.00 O ATOM 832 OD2 ASP A 53 5.248 -7.942 -6.740 1.00 0.00 O ATOM 0 H ASP A 53 5.757 -11.073 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 53 6.176 -8.183 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.683 -10.540 -5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.804 -9.024 -4.991 1.00 0.00 H new ATOM 837 N LYS A 54 5.026 -8.392 -1.443 1.00 0.00 N ATOM 838 CA LYS A 54 4.130 -8.019 -0.315 1.00 0.00 C ATOM 839 C LYS A 54 4.934 -7.477 0.871 1.00 0.00 C ATOM 840 O LYS A 54 4.482 -6.601 1.584 1.00 0.00 O ATOM 841 CB LYS A 54 3.432 -9.323 0.056 1.00 0.00 C ATOM 842 CG LYS A 54 1.968 -9.040 0.402 1.00 0.00 C ATOM 843 CD LYS A 54 1.357 -10.246 1.115 1.00 0.00 C ATOM 844 CE LYS A 54 1.893 -10.322 2.547 1.00 0.00 C ATOM 845 NZ LYS A 54 1.339 -11.590 3.096 1.00 0.00 N ATOM 0 H LYS A 54 6.021 -8.400 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 54 3.428 -7.231 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.491 -10.028 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.934 -9.787 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.900 -8.158 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.407 -8.821 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.270 -10.162 1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.600 -11.162 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.983 -10.328 2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.571 -9.463 3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.662 -11.714 4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.300 -11.552 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.668 -12.391 2.519 1.00 0.00 H new ATOM 859 N GLN A 55 6.115 -7.991 1.087 1.00 0.00 N ATOM 860 CA GLN A 55 6.950 -7.510 2.231 1.00 0.00 C ATOM 861 C GLN A 55 7.480 -6.086 1.973 1.00 0.00 C ATOM 862 O GLN A 55 7.322 -5.222 2.813 1.00 0.00 O ATOM 863 CB GLN A 55 8.112 -8.502 2.326 1.00 0.00 C ATOM 864 CG GLN A 55 7.769 -9.595 3.341 1.00 0.00 C ATOM 865 CD GLN A 55 7.680 -8.986 4.741 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.687 -8.672 5.344 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.509 -8.802 5.285 1.00 0.00 N ATOM 0 H GLN A 55 6.540 -8.725 0.521 1.00 0.00 H new ATOM 0 HA GLN A 55 6.372 -7.462 3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.306 -8.946 1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.023 -7.984 2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.822 -10.066 3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.529 -10.376 3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.664 -9.066 4.778 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.438 -8.394 6.217 1.00 0.00 H new ATOM 876 N PRO A 56 8.111 -5.877 0.834 1.00 0.00 N ATOM 877 CA PRO A 56 8.669 -4.534 0.525 1.00 0.00 C ATOM 878 C PRO A 56 7.568 -3.521 0.171 1.00 0.00 C ATOM 879 O PRO A 56 7.845 -2.350 -0.011 1.00 0.00 O ATOM 880 CB PRO A 56 9.574 -4.786 -0.676 1.00 0.00 C ATOM 881 CG PRO A 56 9.028 -6.013 -1.330 1.00 0.00 C ATOM 882 CD PRO A 56 8.367 -6.838 -0.255 1.00 0.00 C ATOM 0 HA PRO A 56 9.193 -4.103 1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.564 -3.938 -1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.608 -4.933 -0.365 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.310 -5.748 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.825 -6.578 -1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.442 -7.290 -0.613 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.012 -7.652 0.076 1.00 0.00 H new ATOM 890 N TYR A 57 6.329 -3.948 0.070 1.00 0.00 N ATOM 891 CA TYR A 57 5.236 -2.985 -0.273 1.00 0.00 C ATOM 892 C TYR A 57 4.676 -2.342 0.998 1.00 0.00 C ATOM 893 O TYR A 57 4.283 -1.189 0.995 1.00 0.00 O ATOM 894 CB TYR A 57 4.158 -3.822 -0.968 1.00 0.00 C ATOM 895 CG TYR A 57 4.593 -4.165 -2.380 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.109 -3.171 -3.227 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.475 -5.481 -2.844 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.504 -3.497 -4.530 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.871 -5.803 -4.146 1.00 0.00 C ATOM 900 CZ TYR A 57 5.385 -4.812 -4.990 1.00 0.00 C ATOM 901 OH TYR A 57 5.774 -5.132 -6.274 1.00 0.00 O ATOM 0 H TYR A 57 6.031 -4.914 0.209 1.00 0.00 H new ATOM 0 HA TYR A 57 5.593 -2.176 -0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.976 -4.736 -0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.218 -3.270 -0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.201 -2.155 -2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.078 -6.248 -2.196 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.901 -2.732 -5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.780 -6.819 -4.501 1.00 0.00 H new ATOM 0 HH TYR A 57 5.926 -4.309 -6.784 1.00 0.00 H new ATOM 911 N GLU A 58 4.646 -3.074 2.082 1.00 0.00 N ATOM 912 CA GLU A 58 4.113 -2.487 3.365 1.00 0.00 C ATOM 913 C GLU A 58 5.192 -1.620 4.024 1.00 0.00 C ATOM 914 O GLU A 58 4.888 -0.755 4.823 1.00 0.00 O ATOM 915 CB GLU A 58 3.658 -3.625 4.337 1.00 0.00 C ATOM 916 CG GLU A 58 3.842 -5.041 3.768 1.00 0.00 C ATOM 917 CD GLU A 58 3.247 -6.063 4.739 1.00 0.00 C ATOM 918 OE1 GLU A 58 3.847 -6.282 5.779 1.00 0.00 O ATOM 919 OE2 GLU A 58 2.202 -6.610 4.427 1.00 0.00 O ATOM 0 H GLU A 58 4.962 -4.042 2.143 1.00 0.00 H new ATOM 0 HA GLU A 58 3.247 -1.864 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.221 -3.542 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.607 -3.478 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.354 -5.120 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.901 -5.246 3.611 1.00 0.00 H new ATOM 926 N GLN A 59 6.443 -1.816 3.676 1.00 0.00 N ATOM 927 CA GLN A 59 7.526 -0.967 4.263 1.00 0.00 C ATOM 928 C GLN A 59 7.700 0.310 3.423 1.00 0.00 C ATOM 929 O GLN A 59 8.359 1.246 3.833 1.00 0.00 O ATOM 930 CB GLN A 59 8.793 -1.819 4.198 1.00 0.00 C ATOM 931 CG GLN A 59 8.590 -3.113 4.990 1.00 0.00 C ATOM 932 CD GLN A 59 9.813 -4.016 4.818 1.00 0.00 C ATOM 933 OE1 GLN A 59 10.933 -3.580 4.991 1.00 0.00 O ATOM 934 NE2 GLN A 59 9.645 -5.265 4.481 1.00 0.00 N ATOM 0 H GLN A 59 6.758 -2.525 3.014 1.00 0.00 H new ATOM 0 HA GLN A 59 7.299 -0.660 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.033 -2.051 3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.638 -1.262 4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.439 -2.886 6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.694 -3.627 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.704 -5.632 4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.454 -5.875 4.363 1.00 0.00 H new ATOM 943 N LYS A 60 7.082 0.364 2.262 1.00 0.00 N ATOM 944 CA LYS A 60 7.173 1.582 1.408 1.00 0.00 C ATOM 945 C LYS A 60 6.102 2.576 1.859 1.00 0.00 C ATOM 946 O LYS A 60 6.271 3.776 1.769 1.00 0.00 O ATOM 947 CB LYS A 60 6.892 1.091 -0.012 1.00 0.00 C ATOM 948 CG LYS A 60 7.512 2.057 -1.023 1.00 0.00 C ATOM 949 CD LYS A 60 7.599 1.373 -2.390 1.00 0.00 C ATOM 950 CE LYS A 60 8.976 0.726 -2.551 1.00 0.00 C ATOM 951 NZ LYS A 60 9.890 1.847 -2.904 1.00 0.00 N ATOM 0 H LYS A 60 6.517 -0.391 1.873 1.00 0.00 H new ATOM 0 HA LYS A 60 8.140 2.082 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.304 0.091 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.817 1.018 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.910 2.963 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.505 2.360 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.818 0.618 -2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.433 2.101 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.291 0.235 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.966 -0.035 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.256 1.706 -3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.370 2.746 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.684 1.872 -2.233 1.00 0.00 H new ATOM 965 N ALA A 61 5.006 2.069 2.365 1.00 0.00 N ATOM 966 CA ALA A 61 3.912 2.951 2.858 1.00 0.00 C ATOM 967 C ALA A 61 4.032 3.110 4.374 1.00 0.00 C ATOM 968 O ALA A 61 3.622 4.107 4.938 1.00 0.00 O ATOM 969 CB ALA A 61 2.625 2.207 2.493 1.00 0.00 C ATOM 0 H ALA A 61 4.824 1.070 2.457 1.00 0.00 H new ATOM 0 HA ALA A 61 3.940 3.951 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.763 2.788 2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.579 2.068 1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.615 1.234 2.985 1.00 0.00 H new ATOM 975 N ALA A 62 4.606 2.133 5.033 1.00 0.00 N ATOM 976 CA ALA A 62 4.776 2.214 6.517 1.00 0.00 C ATOM 977 C ALA A 62 5.597 3.455 6.881 1.00 0.00 C ATOM 978 O ALA A 62 5.287 4.154 7.828 1.00 0.00 O ATOM 979 CB ALA A 62 5.527 0.940 6.911 1.00 0.00 C ATOM 0 H ALA A 62 4.965 1.280 4.605 1.00 0.00 H new ATOM 0 HA ALA A 62 3.821 2.294 7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.688 0.931 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.939 0.068 6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.490 0.913 6.401 1.00 0.00 H new ATOM 985 N LYS A 63 6.630 3.742 6.124 1.00 0.00 N ATOM 986 CA LYS A 63 7.455 4.952 6.418 1.00 0.00 C ATOM 987 C LYS A 63 6.637 6.196 6.077 1.00 0.00 C ATOM 988 O LYS A 63 6.429 7.065 6.901 1.00 0.00 O ATOM 989 CB LYS A 63 8.679 4.843 5.507 1.00 0.00 C ATOM 990 CG LYS A 63 9.858 5.582 6.143 1.00 0.00 C ATOM 991 CD LYS A 63 11.165 5.093 5.519 1.00 0.00 C ATOM 992 CE LYS A 63 12.338 5.463 6.430 1.00 0.00 C ATOM 993 NZ LYS A 63 13.526 4.810 5.811 1.00 0.00 N ATOM 0 H LYS A 63 6.934 3.193 5.320 1.00 0.00 H new ATOM 0 HA LYS A 63 7.751 5.021 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.936 3.795 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.456 5.267 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.751 6.656 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.870 5.410 7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.130 4.013 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.300 5.541 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.467 6.544 6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.176 5.106 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.372 5.018 6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.377 3.781 5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.659 5.175 4.846 1.00 0.00 H new ATOM 1007 N LEU A 64 6.170 6.274 4.854 1.00 0.00 N ATOM 1008 CA LEU A 64 5.345 7.448 4.405 1.00 0.00 C ATOM 1009 C LEU A 64 4.251 7.768 5.431 1.00 0.00 C ATOM 1010 O LEU A 64 3.846 8.905 5.587 1.00 0.00 O ATOM 1011 CB LEU A 64 4.722 6.995 3.079 1.00 0.00 C ATOM 1012 CG LEU A 64 5.610 7.414 1.900 1.00 0.00 C ATOM 1013 CD1 LEU A 64 5.675 8.941 1.825 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.029 6.855 2.071 1.00 0.00 C ATOM 0 H LEU A 64 6.326 5.566 4.136 1.00 0.00 H new ATOM 0 HA LEU A 64 5.941 8.354 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.595 5.912 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.730 7.432 2.968 1.00 0.00 H new ATOM 0 HG LEU A 64 5.180 7.015 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.306 9.238 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.671 9.341 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.094 9.333 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.645 7.162 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.462 7.239 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.989 5.767 2.114 1.00 0.00 H new ATOM 1026 N LYS A 65 3.806 6.773 6.154 1.00 0.00 N ATOM 1027 CA LYS A 65 2.774 7.014 7.204 1.00 0.00 C ATOM 1028 C LYS A 65 3.435 7.748 8.370 1.00 0.00 C ATOM 1029 O LYS A 65 2.957 8.768 8.831 1.00 0.00 O ATOM 1030 CB LYS A 65 2.298 5.625 7.635 1.00 0.00 C ATOM 1031 CG LYS A 65 1.184 5.764 8.672 1.00 0.00 C ATOM 1032 CD LYS A 65 0.401 4.452 8.760 1.00 0.00 C ATOM 1033 CE LYS A 65 -0.761 4.616 9.743 1.00 0.00 C ATOM 1034 NZ LYS A 65 -1.722 3.536 9.384 1.00 0.00 N ATOM 0 H LYS A 65 4.113 5.805 6.062 1.00 0.00 H new ATOM 0 HA LYS A 65 1.938 7.619 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.936 5.069 6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.130 5.058 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.608 6.013 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.516 6.580 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.023 4.175 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.057 3.646 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.423 4.517 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.220 5.600 9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.548 3.582 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.031 3.660 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.259 2.611 9.487 1.00 0.00 H new