USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=11 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 -56:sc= 1.15 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.601 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.96 K(o=-2,f=-1.4) 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 77:sc= 0.036 USER MOD Single : A 30 HIS : no HD1:sc= -3.3! K(o=-3.3!,f=-2.4) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 38 THR OG1 : rot -170:sc= -1.69 USER MOD Single : A 40 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0126) USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.032) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.599 K(o=-0.6,f=-3.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0544 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.625 X(o=-0.62,f=-0.32) USER MOD Single : A 57 TYR OH : rot 147:sc= 0.996 USER MOD Single : A 59 GLN : amide:sc= -0.917 X(o=-0.92,f=-0.89) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 0.169 5.733 1.115 1.00 0.00 N ATOM 189 CA PRO A 12 -0.268 4.395 0.640 1.00 0.00 C ATOM 190 C PRO A 12 -0.703 3.525 1.827 1.00 0.00 C ATOM 191 O PRO A 12 -0.970 4.028 2.903 1.00 0.00 O ATOM 192 CB PRO A 12 0.982 3.827 -0.031 1.00 0.00 C ATOM 193 CG PRO A 12 2.127 4.535 0.616 1.00 0.00 C ATOM 194 CD PRO A 12 1.631 5.897 1.021 1.00 0.00 C ATOM 0 HA PRO A 12 -1.123 4.434 -0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.052 2.749 0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.967 4.003 -1.107 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.482 3.980 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.967 4.620 -0.073 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.059 6.210 1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.901 6.655 0.285 1.00 0.00 H new ATOM 202 N SER A 13 -0.774 2.227 1.642 1.00 0.00 N ATOM 203 CA SER A 13 -1.190 1.328 2.764 1.00 0.00 C ATOM 204 C SER A 13 -0.994 -0.144 2.394 1.00 0.00 C ATOM 205 O SER A 13 -1.888 -0.951 2.561 1.00 0.00 O ATOM 206 CB SER A 13 -2.675 1.628 2.990 1.00 0.00 C ATOM 207 OG SER A 13 -3.187 0.744 3.979 1.00 0.00 O ATOM 0 H SER A 13 -0.562 1.753 0.764 1.00 0.00 H new ATOM 0 HA SER A 13 -0.593 1.503 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.805 2.662 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.228 1.509 2.058 1.00 0.00 H new ATOM 0 HG SER A 13 -3.021 -0.183 3.707 1.00 0.00 H new ATOM 213 N ALA A 14 0.159 -0.503 1.862 1.00 0.00 N ATOM 214 CA ALA A 14 0.425 -1.924 1.443 1.00 0.00 C ATOM 215 C ALA A 14 -0.383 -2.244 0.191 1.00 0.00 C ATOM 216 O ALA A 14 0.168 -2.381 -0.886 1.00 0.00 O ATOM 217 CB ALA A 14 0.024 -2.846 2.609 1.00 0.00 C ATOM 0 H ALA A 14 0.936 0.138 1.699 1.00 0.00 H new ATOM 0 HA ALA A 14 1.479 -2.071 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.207 -3.884 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.615 -2.596 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.034 -2.711 2.832 1.00 0.00 H new ATOM 223 N PHE A 15 -1.682 -2.363 0.311 1.00 0.00 N ATOM 224 CA PHE A 15 -2.518 -2.675 -0.892 1.00 0.00 C ATOM 225 C PHE A 15 -2.325 -1.603 -1.971 1.00 0.00 C ATOM 226 O PHE A 15 -2.518 -1.856 -3.146 1.00 0.00 O ATOM 227 CB PHE A 15 -3.967 -2.672 -0.396 1.00 0.00 C ATOM 228 CG PHE A 15 -4.880 -3.117 -1.514 1.00 0.00 C ATOM 229 CD1 PHE A 15 -5.176 -2.244 -2.570 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.429 -4.405 -1.499 1.00 0.00 C ATOM 231 CE1 PHE A 15 -6.018 -2.659 -3.608 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.271 -4.820 -2.536 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.566 -3.947 -3.592 1.00 0.00 C ATOM 0 H PHE A 15 -2.199 -2.259 1.184 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.242 -3.631 -1.337 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.071 -3.338 0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.246 -1.674 -0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.754 -1.250 -2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.202 -5.079 -0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.245 -1.986 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.694 -5.814 -2.523 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.216 -4.268 -4.393 1.00 0.00 H new ATOM 243 N PHE A 16 -1.953 -0.409 -1.580 1.00 0.00 N ATOM 244 CA PHE A 16 -1.755 0.678 -2.584 1.00 0.00 C ATOM 245 C PHE A 16 -0.466 0.449 -3.368 1.00 0.00 C ATOM 246 O PHE A 16 -0.390 0.760 -4.541 1.00 0.00 O ATOM 247 CB PHE A 16 -1.679 1.974 -1.776 1.00 0.00 C ATOM 248 CG PHE A 16 -1.904 3.153 -2.693 1.00 0.00 C ATOM 249 CD1 PHE A 16 -0.836 3.685 -3.425 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.181 3.715 -2.811 1.00 0.00 C ATOM 251 CE1 PHE A 16 -1.044 4.777 -4.275 1.00 0.00 C ATOM 252 CE2 PHE A 16 -3.389 4.808 -3.661 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.320 5.339 -4.393 1.00 0.00 C ATOM 0 H PHE A 16 -1.779 -0.142 -0.611 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.564 0.711 -3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.429 1.967 -0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.706 2.057 -1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.149 3.252 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.006 3.305 -2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.220 5.186 -4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.374 5.242 -3.752 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.480 6.182 -5.049 1.00 0.00 H new ATOM 263 N LEU A 17 0.538 -0.125 -2.747 1.00 0.00 N ATOM 264 CA LEU A 17 1.806 -0.402 -3.490 1.00 0.00 C ATOM 265 C LEU A 17 1.474 -1.418 -4.587 1.00 0.00 C ATOM 266 O LEU A 17 1.384 -1.074 -5.747 1.00 0.00 O ATOM 267 CB LEU A 17 2.779 -0.990 -2.454 1.00 0.00 C ATOM 268 CG LEU A 17 3.430 0.124 -1.617 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.205 1.081 -2.524 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.358 0.906 -0.858 1.00 0.00 C ATOM 0 H LEU A 17 0.534 -0.411 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 17 2.248 0.479 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.246 -1.678 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.552 -1.567 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 17 4.116 -0.335 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.661 1.865 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.983 0.531 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.523 1.530 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.830 1.692 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.662 1.353 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.816 0.231 -0.195 1.00 0.00 H new ATOM 282 N PHE A 18 1.293 -2.669 -4.203 1.00 0.00 N ATOM 283 CA PHE A 18 0.949 -3.768 -5.178 1.00 0.00 C ATOM 284 C PHE A 18 0.030 -3.247 -6.309 1.00 0.00 C ATOM 285 O PHE A 18 0.343 -3.388 -7.475 1.00 0.00 O ATOM 286 CB PHE A 18 0.231 -4.825 -4.323 1.00 0.00 C ATOM 287 CG PHE A 18 -0.312 -5.941 -5.193 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.520 -6.996 -5.585 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.651 -5.916 -5.601 1.00 0.00 C ATOM 290 CE1 PHE A 18 0.012 -8.026 -6.388 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.159 -6.946 -6.402 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.329 -8.002 -6.796 1.00 0.00 C ATOM 0 H PHE A 18 1.371 -2.980 -3.235 1.00 0.00 H new ATOM 0 HA PHE A 18 1.831 -4.168 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.922 -5.235 -3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.584 -4.359 -3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.553 -7.016 -5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.292 -5.102 -5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.654 -8.839 -6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.192 -6.926 -6.716 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.721 -8.797 -7.413 1.00 0.00 H new ATOM 302 N CYS A 19 -1.094 -2.655 -5.975 1.00 0.00 N ATOM 303 CA CYS A 19 -2.006 -2.141 -7.041 1.00 0.00 C ATOM 304 C CYS A 19 -1.317 -1.028 -7.835 1.00 0.00 C ATOM 305 O CYS A 19 -1.372 -1.001 -9.049 1.00 0.00 O ATOM 306 CB CYS A 19 -3.235 -1.600 -6.301 1.00 0.00 C ATOM 307 SG CYS A 19 -4.461 -1.004 -7.494 1.00 0.00 S ATOM 0 H CYS A 19 -1.415 -2.508 -5.018 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.279 -2.917 -7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.670 -2.383 -5.680 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.941 -0.790 -5.633 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.500 -0.549 -6.858 1.00 0.00 H new ATOM 313 N SER A 20 -0.676 -0.105 -7.160 1.00 0.00 N ATOM 314 CA SER A 20 0.008 1.021 -7.876 1.00 0.00 C ATOM 315 C SER A 20 0.970 0.497 -8.950 1.00 0.00 C ATOM 316 O SER A 20 1.202 1.155 -9.948 1.00 0.00 O ATOM 317 CB SER A 20 0.781 1.782 -6.798 1.00 0.00 C ATOM 318 OG SER A 20 1.598 2.768 -7.415 1.00 0.00 O ATOM 0 H SER A 20 -0.596 -0.081 -6.143 1.00 0.00 H new ATOM 0 HA SER A 20 -0.714 1.656 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.088 2.252 -6.100 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.396 1.093 -6.220 1.00 0.00 H new ATOM 0 HG SER A 20 2.094 3.259 -6.727 1.00 0.00 H new ATOM 324 N GLU A 21 1.537 -0.673 -8.759 1.00 0.00 N ATOM 325 CA GLU A 21 2.485 -1.209 -9.781 1.00 0.00 C ATOM 326 C GLU A 21 1.761 -2.105 -10.796 1.00 0.00 C ATOM 327 O GLU A 21 2.212 -2.256 -11.916 1.00 0.00 O ATOM 328 CB GLU A 21 3.556 -1.990 -8.999 1.00 0.00 C ATOM 329 CG GLU A 21 2.941 -3.200 -8.282 1.00 0.00 C ATOM 330 CD GLU A 21 3.982 -4.319 -8.166 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.853 -4.390 -9.018 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.885 -5.093 -7.229 1.00 0.00 O ATOM 0 H GLU A 21 1.384 -1.272 -7.947 1.00 0.00 H new ATOM 0 HA GLU A 21 2.935 -0.406 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.337 -2.325 -9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.030 -1.333 -8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.594 -2.909 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.070 -3.556 -8.832 1.00 0.00 H new ATOM 339 N HIS A 22 0.647 -2.704 -10.429 1.00 0.00 N ATOM 340 CA HIS A 22 -0.086 -3.583 -11.393 1.00 0.00 C ATOM 341 C HIS A 22 -1.319 -2.862 -11.957 1.00 0.00 C ATOM 342 O HIS A 22 -2.205 -3.488 -12.507 1.00 0.00 O ATOM 343 CB HIS A 22 -0.538 -4.789 -10.566 1.00 0.00 C ATOM 344 CG HIS A 22 0.646 -5.635 -10.186 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.368 -6.360 -11.119 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.230 -5.897 -8.972 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.336 -7.021 -10.455 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.297 -6.772 -9.144 1.00 0.00 N ATOM 0 H HIS A 22 0.219 -2.620 -9.507 1.00 0.00 H new ATOM 0 HA HIS A 22 0.543 -3.861 -12.238 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.054 -4.450 -9.668 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.250 -5.384 -11.138 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.909 -5.486 -8.026 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.056 -7.673 -10.926 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.916 -7.144 -8.424 1.00 0.00 H new ATOM 356 N ARG A 23 -1.389 -1.559 -11.824 1.00 0.00 N ATOM 357 CA ARG A 23 -2.570 -0.814 -12.353 1.00 0.00 C ATOM 358 C ARG A 23 -2.434 -0.543 -13.866 1.00 0.00 C ATOM 359 O ARG A 23 -3.389 -0.738 -14.592 1.00 0.00 O ATOM 360 CB ARG A 23 -2.624 0.493 -11.557 1.00 0.00 C ATOM 361 CG ARG A 23 -4.029 1.096 -11.664 1.00 0.00 C ATOM 362 CD ARG A 23 -3.930 2.621 -11.747 1.00 0.00 C ATOM 363 NE ARG A 23 -3.407 3.045 -10.419 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.883 4.113 -9.841 1.00 0.00 C ATOM 365 NH1 ARG A 23 -4.997 4.045 -9.163 1.00 0.00 N ATOM 366 NH2 ARG A 23 -3.249 5.249 -9.941 1.00 0.00 N ATOM 0 H ARG A 23 -0.679 -0.982 -11.372 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.488 -1.391 -12.237 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.375 0.306 -10.512 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.884 1.196 -11.940 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.536 0.706 -12.546 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.626 0.807 -10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.262 2.930 -12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.903 3.069 -11.950 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.676 2.500 -9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.494 3.157 -9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.370 4.879 -8.710 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.380 5.303 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.623 6.083 -9.488 1.00 0.00 H new ATOM 380 N PRO A 24 -1.268 -0.106 -14.314 1.00 0.00 N ATOM 381 CA PRO A 24 -1.095 0.165 -15.763 1.00 0.00 C ATOM 382 C PRO A 24 -0.944 -1.144 -16.555 1.00 0.00 C ATOM 383 O PRO A 24 -0.908 -1.134 -17.773 1.00 0.00 O ATOM 384 CB PRO A 24 0.185 0.990 -15.831 1.00 0.00 C ATOM 385 CG PRO A 24 0.957 0.625 -14.604 1.00 0.00 C ATOM 386 CD PRO A 24 -0.032 0.175 -13.558 1.00 0.00 C ATOM 0 HA PRO A 24 -1.952 0.679 -16.198 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.752 0.763 -16.734 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.036 2.057 -15.853 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.670 -0.170 -14.823 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.531 1.479 -14.245 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.322 -0.712 -13.033 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.194 0.948 -12.806 1.00 0.00 H new ATOM 394 N LYS A 25 -0.858 -2.270 -15.882 1.00 0.00 N ATOM 395 CA LYS A 25 -0.715 -3.571 -16.604 1.00 0.00 C ATOM 396 C LYS A 25 -2.094 -4.143 -16.938 1.00 0.00 C ATOM 397 O LYS A 25 -2.305 -4.695 -18.002 1.00 0.00 O ATOM 398 CB LYS A 25 0.023 -4.486 -15.625 1.00 0.00 C ATOM 399 CG LYS A 25 0.459 -5.762 -16.348 1.00 0.00 C ATOM 400 CD LYS A 25 1.529 -6.476 -15.521 1.00 0.00 C ATOM 401 CE LYS A 25 1.881 -7.811 -16.184 1.00 0.00 C ATOM 402 NZ LYS A 25 3.213 -8.177 -15.628 1.00 0.00 N ATOM 0 H LYS A 25 -0.881 -2.341 -14.865 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.179 -3.465 -17.547 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.893 -3.972 -15.216 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.625 -4.735 -14.785 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.398 -6.419 -16.498 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.850 -5.518 -17.336 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.419 -5.852 -15.441 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.167 -6.646 -14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.136 -8.573 -15.957 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.919 -7.715 -17.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.522 -9.082 -16.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.904 -7.437 -15.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.145 -8.268 -14.594 1.00 0.00 H new ATOM 416 N ILE A 26 -3.034 -4.009 -16.037 1.00 0.00 N ATOM 417 CA ILE A 26 -4.409 -4.540 -16.296 1.00 0.00 C ATOM 418 C ILE A 26 -5.124 -3.675 -17.344 1.00 0.00 C ATOM 419 O ILE A 26 -6.055 -4.119 -17.985 1.00 0.00 O ATOM 420 CB ILE A 26 -5.129 -4.469 -14.941 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.380 -5.335 -13.914 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.570 -4.972 -15.089 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.349 -6.802 -14.370 1.00 0.00 C ATOM 0 H ILE A 26 -2.910 -3.555 -15.132 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.393 -5.557 -16.689 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.147 -3.435 -14.598 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.362 -4.965 -13.790 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.867 -5.260 -12.942 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.075 -4.919 -14.124 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.100 -4.350 -15.811 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.561 -6.005 -15.437 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.815 -7.401 -13.632 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.369 -7.173 -14.470 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.841 -6.873 -15.332 1.00 0.00 H new ATOM 435 N LYS A 27 -4.684 -2.456 -17.533 1.00 0.00 N ATOM 436 CA LYS A 27 -5.325 -1.570 -18.555 1.00 0.00 C ATOM 437 C LYS A 27 -4.840 -1.939 -19.967 1.00 0.00 C ATOM 438 O LYS A 27 -5.466 -1.586 -20.951 1.00 0.00 O ATOM 439 CB LYS A 27 -4.878 -0.154 -18.188 1.00 0.00 C ATOM 440 CG LYS A 27 -5.674 0.334 -16.976 1.00 0.00 C ATOM 441 CD LYS A 27 -5.400 1.822 -16.750 1.00 0.00 C ATOM 442 CE LYS A 27 -6.518 2.422 -15.895 1.00 0.00 C ATOM 443 NZ LYS A 27 -6.048 3.795 -15.558 1.00 0.00 N ATOM 0 H LYS A 27 -3.907 -2.035 -17.023 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.411 -1.668 -18.560 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.811 -0.145 -17.964 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.032 0.518 -19.032 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.739 0.170 -17.138 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.394 -0.237 -16.090 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.438 1.955 -16.255 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.341 2.341 -17.707 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.461 2.450 -16.441 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.688 1.831 -14.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.762 4.272 -14.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.152 3.736 -15.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.901 4.336 -16.434 1.00 0.00 H new ATOM 457 N SER A 28 -3.740 -2.648 -20.077 1.00 0.00 N ATOM 458 CA SER A 28 -3.227 -3.041 -21.428 1.00 0.00 C ATOM 459 C SER A 28 -4.089 -4.169 -22.001 1.00 0.00 C ATOM 460 O SER A 28 -4.548 -4.103 -23.126 1.00 0.00 O ATOM 461 CB SER A 28 -1.797 -3.526 -21.191 1.00 0.00 C ATOM 462 OG SER A 28 -1.031 -2.471 -20.622 1.00 0.00 O ATOM 0 H SER A 28 -3.177 -2.971 -19.290 1.00 0.00 H new ATOM 0 HA SER A 28 -3.258 -2.216 -22.140 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.799 -4.389 -20.525 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.350 -3.849 -22.131 1.00 0.00 H new ATOM 0 HG SER A 28 -1.256 -2.379 -19.673 1.00 0.00 H new ATOM 468 N GLU A 29 -4.322 -5.195 -21.223 1.00 0.00 N ATOM 469 CA GLU A 29 -5.169 -6.331 -21.701 1.00 0.00 C ATOM 470 C GLU A 29 -6.663 -6.028 -21.482 1.00 0.00 C ATOM 471 O GLU A 29 -7.512 -6.864 -21.725 1.00 0.00 O ATOM 472 CB GLU A 29 -4.737 -7.528 -20.854 1.00 0.00 C ATOM 473 CG GLU A 29 -3.352 -7.998 -21.302 1.00 0.00 C ATOM 474 CD GLU A 29 -3.124 -9.436 -20.833 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.480 -10.342 -21.570 1.00 0.00 O ATOM 476 OE2 GLU A 29 -2.597 -9.608 -19.746 1.00 0.00 O ATOM 0 H GLU A 29 -3.961 -5.296 -20.274 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.042 -6.513 -22.768 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.715 -7.252 -19.800 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.458 -8.339 -20.957 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.271 -7.941 -22.387 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.584 -7.344 -20.890 1.00 0.00 H new ATOM 483 N HIS A 30 -6.990 -4.834 -21.041 1.00 0.00 N ATOM 484 CA HIS A 30 -8.419 -4.463 -20.825 1.00 0.00 C ATOM 485 C HIS A 30 -8.575 -2.946 -21.001 1.00 0.00 C ATOM 486 O HIS A 30 -8.519 -2.207 -20.039 1.00 0.00 O ATOM 487 CB HIS A 30 -8.767 -4.866 -19.387 1.00 0.00 C ATOM 488 CG HIS A 30 -8.560 -6.342 -19.191 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.588 -7.260 -19.332 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.452 -7.071 -18.844 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.081 -8.480 -19.070 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.782 -8.421 -18.766 1.00 0.00 N ATOM 0 H HIS A 30 -6.319 -4.098 -20.821 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.078 -4.962 -21.535 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.145 -4.309 -18.686 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.803 -4.606 -19.170 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.471 -6.660 -18.659 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.655 -9.394 -19.102 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.165 -9.198 -18.528 1.00 0.00 H new ATOM 500 N PRO A 31 -8.758 -2.521 -22.227 1.00 0.00 N ATOM 501 CA PRO A 31 -8.918 -1.071 -22.504 1.00 0.00 C ATOM 502 C PRO A 31 -10.237 -0.562 -21.915 1.00 0.00 C ATOM 503 O PRO A 31 -11.293 -1.103 -22.180 1.00 0.00 O ATOM 504 CB PRO A 31 -8.927 -0.997 -24.031 1.00 0.00 C ATOM 505 CG PRO A 31 -9.371 -2.353 -24.474 1.00 0.00 C ATOM 506 CD PRO A 31 -8.834 -3.325 -23.456 1.00 0.00 C ATOM 0 HA PRO A 31 -8.134 -0.456 -22.062 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.607 -0.222 -24.386 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.938 -0.757 -24.422 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.458 -2.408 -24.529 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.990 -2.582 -25.469 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.493 -4.185 -23.334 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.857 -3.711 -23.745 1.00 0.00 H new ATOM 514 N GLY A 32 -10.177 0.468 -21.109 1.00 0.00 N ATOM 515 CA GLY A 32 -11.422 1.012 -20.488 1.00 0.00 C ATOM 516 C GLY A 32 -11.620 0.400 -19.093 1.00 0.00 C ATOM 517 O GLY A 32 -12.364 0.918 -18.283 1.00 0.00 O ATOM 0 H GLY A 32 -9.318 0.956 -20.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.357 2.097 -20.413 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.282 0.787 -21.119 1.00 0.00 H new ATOM 521 N LEU A 33 -10.966 -0.706 -18.810 1.00 0.00 N ATOM 522 CA LEU A 33 -11.116 -1.369 -17.470 1.00 0.00 C ATOM 523 C LEU A 33 -10.937 -0.365 -16.324 1.00 0.00 C ATOM 524 O LEU A 33 -9.834 0.028 -15.991 1.00 0.00 O ATOM 525 CB LEU A 33 -10.004 -2.427 -17.437 1.00 0.00 C ATOM 526 CG LEU A 33 -10.356 -3.571 -16.477 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.493 -3.031 -15.057 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.673 -4.233 -16.904 1.00 0.00 C ATOM 0 H LEU A 33 -10.332 -1.180 -19.453 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.109 -1.798 -17.340 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.847 -2.825 -18.440 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.067 -1.964 -17.128 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.558 -4.313 -16.507 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.743 -3.848 -14.380 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.551 -2.578 -14.747 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.283 -2.281 -15.028 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.913 -5.043 -16.216 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.474 -3.494 -16.887 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.569 -4.633 -17.913 1.00 0.00 H new ATOM 540 N SER A 34 -12.024 0.048 -15.722 1.00 0.00 N ATOM 541 CA SER A 34 -11.945 1.025 -14.590 1.00 0.00 C ATOM 542 C SER A 34 -11.051 0.473 -13.473 1.00 0.00 C ATOM 543 O SER A 34 -10.405 -0.545 -13.635 1.00 0.00 O ATOM 544 CB SER A 34 -13.382 1.184 -14.094 1.00 0.00 C ATOM 545 OG SER A 34 -14.006 -0.092 -14.047 1.00 0.00 O ATOM 0 H SER A 34 -12.968 -0.250 -15.966 1.00 0.00 H new ATOM 0 HA SER A 34 -11.515 1.977 -14.901 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.389 1.642 -13.105 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.936 1.849 -14.757 1.00 0.00 H new ATOM 0 HG SER A 34 -14.927 0.006 -13.728 1.00 0.00 H new ATOM 551 N ILE A 35 -11.009 1.137 -12.347 1.00 0.00 N ATOM 552 CA ILE A 35 -10.155 0.653 -11.217 1.00 0.00 C ATOM 553 C ILE A 35 -10.972 -0.233 -10.265 1.00 0.00 C ATOM 554 O ILE A 35 -10.574 -0.475 -9.140 1.00 0.00 O ATOM 555 CB ILE A 35 -9.681 1.922 -10.499 1.00 0.00 C ATOM 556 CG1 ILE A 35 -8.930 2.834 -11.485 1.00 0.00 C ATOM 557 CG2 ILE A 35 -8.745 1.540 -9.348 1.00 0.00 C ATOM 558 CD1 ILE A 35 -9.836 3.993 -11.915 1.00 0.00 C ATOM 0 H ILE A 35 -11.529 1.994 -12.159 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.319 0.048 -11.568 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.548 2.454 -10.106 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.025 3.222 -11.018 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.618 2.261 -12.358 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.408 2.443 -8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.277 0.902 -8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.882 1.003 -9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.299 4.635 -12.613 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.728 3.597 -12.400 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.126 4.572 -11.039 1.00 0.00 H new ATOM 570 N GLY A 36 -12.108 -0.722 -10.704 1.00 0.00 N ATOM 571 CA GLY A 36 -12.943 -1.591 -9.823 1.00 0.00 C ATOM 572 C GLY A 36 -12.699 -3.059 -10.174 1.00 0.00 C ATOM 573 O GLY A 36 -12.386 -3.867 -9.320 1.00 0.00 O ATOM 0 H GLY A 36 -12.491 -0.555 -11.635 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.696 -1.410 -8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.998 -1.347 -9.948 1.00 0.00 H new ATOM 577 N ASP A 37 -12.842 -3.409 -11.429 1.00 0.00 N ATOM 578 CA ASP A 37 -12.624 -4.827 -11.844 1.00 0.00 C ATOM 579 C ASP A 37 -11.171 -5.241 -11.591 1.00 0.00 C ATOM 580 O ASP A 37 -10.912 -6.297 -11.041 1.00 0.00 O ATOM 581 CB ASP A 37 -12.940 -4.867 -13.340 1.00 0.00 C ATOM 582 CG ASP A 37 -14.429 -4.591 -13.556 1.00 0.00 C ATOM 583 OD1 ASP A 37 -14.783 -3.432 -13.694 1.00 0.00 O ATOM 584 OD2 ASP A 37 -15.190 -5.545 -13.579 1.00 0.00 O ATOM 0 H ASP A 37 -13.100 -2.773 -12.183 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.253 -5.516 -11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.342 -4.125 -13.869 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.677 -5.841 -13.752 1.00 0.00 H new ATOM 589 N THR A 38 -10.219 -4.422 -11.980 1.00 0.00 N ATOM 590 CA THR A 38 -8.788 -4.786 -11.747 1.00 0.00 C ATOM 591 C THR A 38 -8.507 -4.789 -10.245 1.00 0.00 C ATOM 592 O THR A 38 -7.706 -5.564 -9.758 1.00 0.00 O ATOM 593 CB THR A 38 -7.946 -3.732 -12.482 1.00 0.00 C ATOM 594 OG1 THR A 38 -6.568 -3.987 -12.245 1.00 0.00 O ATOM 595 CG2 THR A 38 -8.287 -2.320 -11.999 1.00 0.00 C ATOM 0 H THR A 38 -10.372 -3.527 -12.444 1.00 0.00 H new ATOM 0 HA THR A 38 -8.546 -5.781 -12.121 1.00 0.00 H new ATOM 0 HB THR A 38 -8.166 -3.795 -13.548 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.034 -3.234 -12.576 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.676 -1.594 -12.536 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.341 -2.116 -12.186 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.087 -2.243 -10.930 1.00 0.00 H new ATOM 603 N ALA A 39 -9.188 -3.951 -9.505 1.00 0.00 N ATOM 604 CA ALA A 39 -8.992 -3.924 -8.023 1.00 0.00 C ATOM 605 C ALA A 39 -9.474 -5.253 -7.430 1.00 0.00 C ATOM 606 O ALA A 39 -8.989 -5.702 -6.409 1.00 0.00 O ATOM 607 CB ALA A 39 -9.852 -2.763 -7.519 1.00 0.00 C ATOM 0 H ALA A 39 -9.872 -3.284 -9.863 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.948 -3.793 -7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.757 -2.683 -6.436 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.517 -1.835 -7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.895 -2.943 -7.780 1.00 0.00 H new ATOM 613 N LYS A 40 -10.416 -5.889 -8.084 1.00 0.00 N ATOM 614 CA LYS A 40 -10.928 -7.199 -7.590 1.00 0.00 C ATOM 615 C LYS A 40 -9.944 -8.303 -7.983 1.00 0.00 C ATOM 616 O LYS A 40 -9.762 -9.270 -7.268 1.00 0.00 O ATOM 617 CB LYS A 40 -12.274 -7.396 -8.289 1.00 0.00 C ATOM 618 CG LYS A 40 -13.341 -6.552 -7.589 1.00 0.00 C ATOM 619 CD LYS A 40 -14.722 -6.918 -8.134 1.00 0.00 C ATOM 620 CE LYS A 40 -15.711 -5.792 -7.820 1.00 0.00 C ATOM 621 NZ LYS A 40 -16.037 -5.962 -6.376 1.00 0.00 N ATOM 0 H LYS A 40 -10.852 -5.553 -8.943 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.038 -7.229 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.197 -7.108 -9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.556 -8.449 -8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.306 -6.723 -6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.144 -5.492 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.668 -7.079 -9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.065 -7.852 -7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.271 -4.814 -8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.605 -5.867 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.068 -6.040 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.582 -6.825 -6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.689 -5.140 -5.842 1.00 0.00 H new ATOM 635 N LYS A 41 -9.298 -8.150 -9.112 1.00 0.00 N ATOM 636 CA LYS A 41 -8.304 -9.173 -9.561 1.00 0.00 C ATOM 637 C LYS A 41 -6.949 -8.927 -8.882 1.00 0.00 C ATOM 638 O LYS A 41 -6.130 -9.820 -8.772 1.00 0.00 O ATOM 639 CB LYS A 41 -8.190 -8.979 -11.073 1.00 0.00 C ATOM 640 CG LYS A 41 -7.585 -10.234 -11.705 1.00 0.00 C ATOM 641 CD LYS A 41 -8.143 -10.415 -13.117 1.00 0.00 C ATOM 642 CE LYS A 41 -8.141 -11.901 -13.482 1.00 0.00 C ATOM 643 NZ LYS A 41 -9.394 -12.444 -12.890 1.00 0.00 N ATOM 0 H LYS A 41 -9.417 -7.358 -9.744 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.609 -10.187 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.173 -8.782 -11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.567 -8.112 -11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.499 -10.149 -11.740 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.817 -11.108 -11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.157 -10.018 -13.172 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.541 -9.854 -13.832 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.121 -12.042 -14.563 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.263 -12.405 -13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.238 -13.428 -12.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.666 -11.870 -12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.154 -12.414 -13.599 1.00 0.00 H new ATOM 657 N LEU A 42 -6.717 -7.723 -8.414 1.00 0.00 N ATOM 658 CA LEU A 42 -5.430 -7.410 -7.728 1.00 0.00 C ATOM 659 C LEU A 42 -5.508 -7.852 -6.267 1.00 0.00 C ATOM 660 O LEU A 42 -4.712 -8.646 -5.805 1.00 0.00 O ATOM 661 CB LEU A 42 -5.293 -5.889 -7.819 1.00 0.00 C ATOM 662 CG LEU A 42 -4.274 -5.521 -8.898 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.753 -6.015 -10.265 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.124 -4.005 -8.935 1.00 0.00 C ATOM 0 H LEU A 42 -7.370 -6.942 -8.480 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.579 -7.921 -8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.259 -5.442 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.978 -5.485 -6.857 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.317 -5.990 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.020 -5.748 -11.026 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.871 -7.098 -10.240 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.710 -5.551 -10.505 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.399 -3.730 -9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.087 -3.550 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.778 -3.650 -7.964 1.00 0.00 H new ATOM 676 N GLY A 43 -6.477 -7.345 -5.539 1.00 0.00 N ATOM 677 CA GLY A 43 -6.631 -7.731 -4.099 1.00 0.00 C ATOM 678 C GLY A 43 -6.661 -9.258 -3.976 1.00 0.00 C ATOM 679 O GLY A 43 -6.263 -9.817 -2.970 1.00 0.00 O ATOM 0 H GLY A 43 -7.169 -6.679 -5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.806 -7.325 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.549 -7.305 -3.694 1.00 0.00 H new ATOM 683 N GLU A 44 -7.100 -9.933 -5.010 1.00 0.00 N ATOM 684 CA GLU A 44 -7.120 -11.422 -4.977 1.00 0.00 C ATOM 685 C GLU A 44 -5.682 -11.924 -5.069 1.00 0.00 C ATOM 686 O GLU A 44 -5.298 -12.869 -4.408 1.00 0.00 O ATOM 687 CB GLU A 44 -7.926 -11.849 -6.206 1.00 0.00 C ATOM 688 CG GLU A 44 -8.237 -13.345 -6.118 1.00 0.00 C ATOM 689 CD GLU A 44 -8.846 -13.820 -7.439 1.00 0.00 C ATOM 690 OE1 GLU A 44 -9.950 -13.401 -7.743 1.00 0.00 O ATOM 691 OE2 GLU A 44 -8.197 -14.594 -8.124 1.00 0.00 O ATOM 0 H GLU A 44 -7.445 -9.514 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.562 -11.825 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.852 -11.277 -6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.363 -11.637 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.326 -13.904 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.929 -13.536 -5.297 1.00 0.00 H new ATOM 698 N MET A 45 -4.880 -11.275 -5.879 1.00 0.00 N ATOM 699 CA MET A 45 -3.453 -11.684 -6.017 1.00 0.00 C ATOM 700 C MET A 45 -2.652 -11.141 -4.832 1.00 0.00 C ATOM 701 O MET A 45 -1.841 -11.838 -4.258 1.00 0.00 O ATOM 702 CB MET A 45 -2.975 -11.050 -7.325 1.00 0.00 C ATOM 703 CG MET A 45 -3.437 -11.905 -8.506 1.00 0.00 C ATOM 704 SD MET A 45 -3.343 -10.932 -10.028 1.00 0.00 S ATOM 705 CE MET A 45 -1.737 -11.548 -10.593 1.00 0.00 C ATOM 0 H MET A 45 -5.157 -10.477 -6.451 1.00 0.00 H new ATOM 0 HA MET A 45 -3.327 -12.767 -6.030 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.372 -10.039 -7.417 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.888 -10.967 -7.325 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.813 -12.794 -8.591 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.459 -12.247 -8.343 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.476 -11.070 -11.537 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.976 -11.318 -9.847 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.791 -12.627 -10.735 1.00 0.00 H new ATOM 715 N TRP A 46 -2.895 -9.907 -4.443 1.00 0.00 N ATOM 716 CA TRP A 46 -2.164 -9.306 -3.270 1.00 0.00 C ATOM 717 C TRP A 46 -2.242 -10.250 -2.061 1.00 0.00 C ATOM 718 O TRP A 46 -1.246 -10.541 -1.426 1.00 0.00 O ATOM 719 CB TRP A 46 -2.891 -7.979 -2.993 1.00 0.00 C ATOM 720 CG TRP A 46 -2.355 -7.338 -1.749 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.095 -6.973 -0.678 1.00 0.00 C ATOM 722 CD2 TRP A 46 -0.980 -6.986 -1.438 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.257 -6.414 0.272 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.943 -6.400 -0.152 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.226 -7.117 -2.143 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.252 -5.959 0.413 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.431 -6.674 -1.579 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.442 -6.096 -0.304 1.00 0.00 C ATOM 0 H TRP A 46 -3.571 -9.286 -4.888 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.104 -9.148 -3.469 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.765 -7.305 -3.840 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.961 -8.159 -2.885 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.163 -7.097 -0.580 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.572 -6.057 1.174 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.226 -7.562 -3.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.258 -5.515 1.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.354 -6.779 -2.130 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.373 -5.756 0.126 1.00 0.00 H new ATOM 739 N SER A 47 -3.418 -10.742 -1.756 1.00 0.00 N ATOM 740 CA SER A 47 -3.564 -11.686 -0.605 1.00 0.00 C ATOM 741 C SER A 47 -2.866 -13.022 -0.912 1.00 0.00 C ATOM 742 O SER A 47 -2.746 -13.873 -0.052 1.00 0.00 O ATOM 743 CB SER A 47 -5.070 -11.895 -0.446 1.00 0.00 C ATOM 744 OG SER A 47 -5.343 -12.364 0.869 1.00 0.00 O ATOM 0 H SER A 47 -4.283 -10.531 -2.254 1.00 0.00 H new ATOM 0 HA SER A 47 -3.108 -11.293 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.600 -10.960 -0.628 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.429 -12.614 -1.183 1.00 0.00 H new ATOM 0 HG SER A 47 -6.308 -12.498 0.975 1.00 0.00 H new ATOM 750 N GLU A 48 -2.397 -13.209 -2.125 1.00 0.00 N ATOM 751 CA GLU A 48 -1.701 -14.468 -2.489 1.00 0.00 C ATOM 752 C GLU A 48 -0.202 -14.219 -2.655 1.00 0.00 C ATOM 753 O GLU A 48 0.576 -15.153 -2.703 1.00 0.00 O ATOM 754 CB GLU A 48 -2.328 -14.883 -3.819 1.00 0.00 C ATOM 755 CG GLU A 48 -3.707 -15.497 -3.567 1.00 0.00 C ATOM 756 CD GLU A 48 -4.227 -16.132 -4.857 1.00 0.00 C ATOM 757 OE1 GLU A 48 -4.745 -15.402 -5.687 1.00 0.00 O ATOM 758 OE2 GLU A 48 -4.099 -17.338 -4.995 1.00 0.00 O ATOM 0 H GLU A 48 -2.472 -12.529 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.806 -15.238 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.419 -14.018 -4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.686 -15.603 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.644 -16.248 -2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.400 -14.730 -3.222 1.00 0.00 H new ATOM 765 N GLN A 49 0.222 -12.974 -2.734 1.00 0.00 N ATOM 766 CA GLN A 49 1.682 -12.700 -2.884 1.00 0.00 C ATOM 767 C GLN A 49 2.424 -13.231 -1.663 1.00 0.00 C ATOM 768 O GLN A 49 1.927 -13.182 -0.553 1.00 0.00 O ATOM 769 CB GLN A 49 1.824 -11.170 -2.955 1.00 0.00 C ATOM 770 CG GLN A 49 1.140 -10.618 -4.211 1.00 0.00 C ATOM 771 CD GLN A 49 1.747 -11.247 -5.469 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.915 -11.582 -5.493 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.994 -11.420 -6.520 1.00 0.00 N ATOM 0 H GLN A 49 -0.377 -12.149 -2.701 1.00 0.00 H new ATOM 0 HA GLN A 49 2.096 -13.180 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.383 -10.718 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.880 -10.898 -2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.071 -10.826 -4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.252 -9.534 -4.248 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.014 -11.138 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.385 -11.837 -7.365 1.00 0.00 H new ATOM 782 N SER A 50 3.615 -13.711 -1.857 1.00 0.00 N ATOM 783 CA SER A 50 4.416 -14.222 -0.710 1.00 0.00 C ATOM 784 C SER A 50 5.279 -13.078 -0.168 1.00 0.00 C ATOM 785 O SER A 50 4.910 -11.923 -0.270 1.00 0.00 O ATOM 786 CB SER A 50 5.280 -15.341 -1.295 1.00 0.00 C ATOM 787 OG SER A 50 6.242 -14.778 -2.177 1.00 0.00 O ATOM 0 H SER A 50 4.074 -13.773 -2.766 1.00 0.00 H new ATOM 0 HA SER A 50 3.807 -14.592 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.779 -15.887 -0.495 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.655 -16.057 -1.829 1.00 0.00 H new ATOM 0 HG SER A 50 6.799 -15.492 -2.553 1.00 0.00 H new ATOM 793 N ALA A 51 6.419 -13.379 0.398 1.00 0.00 N ATOM 794 CA ALA A 51 7.293 -12.290 0.931 1.00 0.00 C ATOM 795 C ALA A 51 8.027 -11.571 -0.213 1.00 0.00 C ATOM 796 O ALA A 51 8.724 -10.599 0.012 1.00 0.00 O ATOM 797 CB ALA A 51 8.291 -12.992 1.853 1.00 0.00 C ATOM 0 H ALA A 51 6.781 -14.325 0.514 1.00 0.00 H new ATOM 0 HA ALA A 51 6.717 -11.529 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.969 -12.255 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.752 -13.501 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.864 -13.721 1.281 1.00 0.00 H new ATOM 803 N LYS A 52 7.879 -12.029 -1.436 1.00 0.00 N ATOM 804 CA LYS A 52 8.570 -11.353 -2.578 1.00 0.00 C ATOM 805 C LYS A 52 7.792 -10.099 -2.985 1.00 0.00 C ATOM 806 O LYS A 52 8.364 -9.056 -3.239 1.00 0.00 O ATOM 807 CB LYS A 52 8.570 -12.379 -3.714 1.00 0.00 C ATOM 808 CG LYS A 52 9.728 -12.085 -4.668 1.00 0.00 C ATOM 809 CD LYS A 52 9.793 -13.171 -5.744 1.00 0.00 C ATOM 810 CE LYS A 52 11.004 -12.924 -6.647 1.00 0.00 C ATOM 811 NZ LYS A 52 11.089 -14.131 -7.515 1.00 0.00 N ATOM 0 H LYS A 52 7.312 -12.838 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 52 9.582 -11.037 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.666 -13.386 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.623 -12.341 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.592 -11.108 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.667 -12.049 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.867 -14.154 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.878 -13.166 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.876 -12.019 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.914 -12.794 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.897 -14.036 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.218 -14.976 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.212 -14.225 -8.066 1.00 0.00 H new ATOM 825 N ASP A 53 6.488 -10.197 -3.042 1.00 0.00 N ATOM 826 CA ASP A 53 5.654 -9.019 -3.422 1.00 0.00 C ATOM 827 C ASP A 53 4.650 -8.714 -2.307 1.00 0.00 C ATOM 828 O ASP A 53 3.452 -8.687 -2.519 1.00 0.00 O ATOM 829 CB ASP A 53 4.926 -9.442 -4.697 1.00 0.00 C ATOM 830 CG ASP A 53 5.629 -8.845 -5.917 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.807 -9.115 -6.088 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.979 -8.130 -6.661 1.00 0.00 O ATOM 0 H ASP A 53 5.963 -11.048 -2.840 1.00 0.00 H new ATOM 0 HA ASP A 53 6.249 -8.119 -3.576 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.907 -10.529 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.889 -9.107 -4.663 1.00 0.00 H new ATOM 837 N LYS A 54 5.140 -8.488 -1.117 1.00 0.00 N ATOM 838 CA LYS A 54 4.235 -8.186 0.025 1.00 0.00 C ATOM 839 C LYS A 54 5.026 -7.724 1.252 1.00 0.00 C ATOM 840 O LYS A 54 4.570 -6.888 2.010 1.00 0.00 O ATOM 841 CB LYS A 54 3.531 -9.507 0.311 1.00 0.00 C ATOM 842 CG LYS A 54 2.060 -9.241 0.642 1.00 0.00 C ATOM 843 CD LYS A 54 1.435 -10.477 1.288 1.00 0.00 C ATOM 844 CE LYS A 54 1.995 -10.660 2.700 1.00 0.00 C ATOM 845 NZ LYS A 54 1.277 -11.843 3.248 1.00 0.00 N ATOM 0 H LYS A 54 6.134 -8.500 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 54 3.539 -7.380 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.607 -10.166 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.016 -10.017 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.979 -8.389 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.516 -8.981 -0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.351 -10.370 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.646 -11.360 0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.072 -10.827 2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.821 -9.775 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.607 -12.032 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.255 -11.653 3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.467 -12.672 2.649 1.00 0.00 H new ATOM 859 N GLN A 55 6.205 -8.255 1.451 1.00 0.00 N ATOM 860 CA GLN A 55 7.024 -7.838 2.629 1.00 0.00 C ATOM 861 C GLN A 55 7.563 -6.414 2.422 1.00 0.00 C ATOM 862 O GLN A 55 7.318 -5.550 3.237 1.00 0.00 O ATOM 863 CB GLN A 55 8.172 -8.846 2.709 1.00 0.00 C ATOM 864 CG GLN A 55 7.790 -9.980 3.661 1.00 0.00 C ATOM 865 CD GLN A 55 7.680 -9.435 5.087 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.678 -9.215 5.744 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.500 -9.208 5.594 1.00 0.00 N ATOM 0 H GLN A 55 6.635 -8.958 0.850 1.00 0.00 H new ATOM 0 HA GLN A 55 6.440 -7.826 3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.388 -9.246 1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.079 -8.353 3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.842 -10.422 3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.538 -10.771 3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.663 -9.393 5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.414 -8.845 6.543 1.00 0.00 H new ATOM 876 N PRO A 56 8.283 -6.201 1.338 1.00 0.00 N ATOM 877 CA PRO A 56 8.837 -4.848 1.067 1.00 0.00 C ATOM 878 C PRO A 56 7.727 -3.866 0.659 1.00 0.00 C ATOM 879 O PRO A 56 7.964 -2.680 0.541 1.00 0.00 O ATOM 880 CB PRO A 56 9.803 -5.080 -0.093 1.00 0.00 C ATOM 881 CG PRO A 56 9.298 -6.309 -0.776 1.00 0.00 C ATOM 882 CD PRO A 56 8.648 -7.161 0.281 1.00 0.00 C ATOM 0 HA PRO A 56 9.317 -4.409 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.816 -4.228 -0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.823 -5.218 0.265 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.583 -6.050 -1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.115 -6.847 -1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.771 -7.679 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.331 -7.925 0.654 1.00 0.00 H new ATOM 890 N TYR A 57 6.523 -4.346 0.442 1.00 0.00 N ATOM 891 CA TYR A 57 5.411 -3.433 0.043 1.00 0.00 C ATOM 892 C TYR A 57 4.762 -2.811 1.281 1.00 0.00 C ATOM 893 O TYR A 57 4.427 -1.642 1.294 1.00 0.00 O ATOM 894 CB TYR A 57 4.409 -4.327 -0.691 1.00 0.00 C ATOM 895 CG TYR A 57 4.902 -4.593 -2.092 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.065 -5.345 -2.294 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.197 -4.086 -3.188 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.523 -5.589 -3.594 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.655 -4.330 -4.488 1.00 0.00 C ATOM 900 CZ TYR A 57 5.818 -5.082 -4.691 1.00 0.00 C ATOM 901 OH TYR A 57 6.269 -5.322 -5.973 1.00 0.00 O ATOM 0 H TYR A 57 6.267 -5.330 0.525 1.00 0.00 H new ATOM 0 HA TYR A 57 5.760 -2.609 -0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.283 -5.267 -0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.432 -3.845 -0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.609 -5.737 -1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.299 -3.506 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.421 -6.169 -3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.111 -3.938 -5.335 1.00 0.00 H new ATOM 0 HH TYR A 57 5.504 -5.391 -6.581 1.00 0.00 H new ATOM 911 N GLU A 58 4.581 -3.587 2.318 1.00 0.00 N ATOM 912 CA GLU A 58 3.948 -3.047 3.560 1.00 0.00 C ATOM 913 C GLU A 58 4.923 -2.127 4.305 1.00 0.00 C ATOM 914 O GLU A 58 4.511 -1.263 5.055 1.00 0.00 O ATOM 915 CB GLU A 58 3.587 -4.272 4.413 1.00 0.00 C ATOM 916 CG GLU A 58 4.835 -5.126 4.682 1.00 0.00 C ATOM 917 CD GLU A 58 4.877 -5.534 6.157 1.00 0.00 C ATOM 918 OE1 GLU A 58 4.952 -4.650 6.994 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.834 -6.723 6.423 1.00 0.00 O ATOM 0 H GLU A 58 4.844 -4.572 2.359 1.00 0.00 H new ATOM 0 HA GLU A 58 3.065 -2.448 3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.150 -3.949 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.833 -4.870 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.822 -6.014 4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.733 -4.565 4.425 1.00 0.00 H new ATOM 926 N GLN A 59 6.207 -2.299 4.104 1.00 0.00 N ATOM 927 CA GLN A 59 7.203 -1.427 4.801 1.00 0.00 C ATOM 928 C GLN A 59 7.226 -0.035 4.164 1.00 0.00 C ATOM 929 O GLN A 59 6.865 0.944 4.787 1.00 0.00 O ATOM 930 CB GLN A 59 8.553 -2.125 4.610 1.00 0.00 C ATOM 931 CG GLN A 59 8.548 -3.490 5.316 1.00 0.00 C ATOM 932 CD GLN A 59 8.240 -3.324 6.810 1.00 0.00 C ATOM 933 OE1 GLN A 59 7.603 -4.170 7.405 1.00 0.00 O ATOM 934 NE2 GLN A 59 8.665 -2.267 7.446 1.00 0.00 N ATOM 0 H GLN A 59 6.608 -3.006 3.487 1.00 0.00 H new ATOM 0 HA GLN A 59 6.961 -1.292 5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.755 -2.258 3.547 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.353 -1.503 5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.804 -4.141 4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.517 -3.974 5.190 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.200 -1.554 6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.462 -2.153 8.439 1.00 0.00 H new ATOM 943 N LYS A 60 7.668 0.059 2.930 1.00 0.00 N ATOM 944 CA LYS A 60 7.743 1.388 2.227 1.00 0.00 C ATOM 945 C LYS A 60 6.462 2.216 2.425 1.00 0.00 C ATOM 946 O LYS A 60 6.495 3.432 2.388 1.00 0.00 O ATOM 947 CB LYS A 60 7.934 1.046 0.744 1.00 0.00 C ATOM 948 CG LYS A 60 6.769 0.183 0.251 1.00 0.00 C ATOM 949 CD LYS A 60 6.880 -0.012 -1.263 1.00 0.00 C ATOM 950 CE LYS A 60 8.049 -0.949 -1.580 1.00 0.00 C ATOM 951 NZ LYS A 60 8.533 -0.519 -2.922 1.00 0.00 N ATOM 0 H LYS A 60 7.984 -0.735 2.373 1.00 0.00 H new ATOM 0 HA LYS A 60 8.555 1.996 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.993 1.962 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.876 0.515 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.781 -0.784 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.820 0.659 0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.952 -0.428 -1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.030 0.950 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.836 -0.866 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.728 -1.991 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.335 -1.115 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.764 -0.616 -3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.838 0.474 -2.879 1.00 0.00 H new ATOM 965 N ALA A 61 5.345 1.570 2.652 1.00 0.00 N ATOM 966 CA ALA A 61 4.075 2.325 2.871 1.00 0.00 C ATOM 967 C ALA A 61 3.871 2.555 4.369 1.00 0.00 C ATOM 968 O ALA A 61 3.393 3.592 4.789 1.00 0.00 O ATOM 969 CB ALA A 61 2.973 1.426 2.314 1.00 0.00 C ATOM 0 H ALA A 61 5.259 0.555 2.695 1.00 0.00 H new ATOM 0 HA ALA A 61 4.080 3.301 2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.007 1.915 2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.153 1.244 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.972 0.477 2.850 1.00 0.00 H new ATOM 975 N ALA A 62 4.236 1.591 5.172 1.00 0.00 N ATOM 976 CA ALA A 62 4.074 1.736 6.654 1.00 0.00 C ATOM 977 C ALA A 62 5.018 2.813 7.202 1.00 0.00 C ATOM 978 O ALA A 62 4.828 3.305 8.298 1.00 0.00 O ATOM 979 CB ALA A 62 4.431 0.369 7.238 1.00 0.00 C ATOM 0 H ALA A 62 4.641 0.706 4.867 1.00 0.00 H new ATOM 0 HA ALA A 62 3.062 2.041 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.334 0.401 8.323 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.756 -0.386 6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.458 0.117 6.972 1.00 0.00 H new ATOM 985 N LYS A 63 6.023 3.194 6.448 1.00 0.00 N ATOM 986 CA LYS A 63 6.962 4.249 6.929 1.00 0.00 C ATOM 987 C LYS A 63 6.536 5.582 6.327 1.00 0.00 C ATOM 988 O LYS A 63 6.195 6.515 7.027 1.00 0.00 O ATOM 989 CB LYS A 63 8.338 3.831 6.411 1.00 0.00 C ATOM 990 CG LYS A 63 9.415 4.721 7.038 1.00 0.00 C ATOM 991 CD LYS A 63 9.803 4.169 8.414 1.00 0.00 C ATOM 992 CE LYS A 63 9.062 4.943 9.508 1.00 0.00 C ATOM 993 NZ LYS A 63 10.046 5.947 10.001 1.00 0.00 N ATOM 0 H LYS A 63 6.230 2.819 5.523 1.00 0.00 H new ATOM 0 HA LYS A 63 6.971 4.357 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.528 2.786 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.370 3.915 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.291 4.760 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.046 5.742 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.556 3.109 8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.880 4.254 8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.168 5.426 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.738 4.280 10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.612 6.518 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.883 5.457 10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.331 6.568 9.217 1.00 0.00 H new ATOM 1007 N LEU A 64 6.543 5.663 5.019 1.00 0.00 N ATOM 1008 CA LEU A 64 6.126 6.920 4.315 1.00 0.00 C ATOM 1009 C LEU A 64 4.791 7.432 4.888 1.00 0.00 C ATOM 1010 O LEU A 64 4.523 8.619 4.896 1.00 0.00 O ATOM 1011 CB LEU A 64 5.991 6.498 2.841 1.00 0.00 C ATOM 1012 CG LEU A 64 5.258 7.569 2.027 1.00 0.00 C ATOM 1013 CD1 LEU A 64 6.013 8.899 2.105 1.00 0.00 C ATOM 1014 CD2 LEU A 64 5.171 7.121 0.572 1.00 0.00 C ATOM 0 H LEU A 64 6.823 4.903 4.400 1.00 0.00 H new ATOM 0 HA LEU A 64 6.836 7.738 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.980 6.327 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.449 5.554 2.778 1.00 0.00 H new ATOM 0 HG LEU A 64 4.256 7.705 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.483 9.653 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.076 9.221 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.018 8.771 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.650 7.880 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.176 6.983 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.625 6.180 0.513 1.00 0.00 H new ATOM 1026 N LYS A 65 3.974 6.540 5.385 1.00 0.00 N ATOM 1027 CA LYS A 65 2.674 6.964 5.983 1.00 0.00 C ATOM 1028 C LYS A 65 2.953 7.706 7.291 1.00 0.00 C ATOM 1029 O LYS A 65 2.447 8.787 7.527 1.00 0.00 O ATOM 1030 CB LYS A 65 1.908 5.663 6.248 1.00 0.00 C ATOM 1031 CG LYS A 65 0.545 5.984 6.866 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.441 4.862 6.540 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.839 5.252 7.025 1.00 0.00 C ATOM 1034 NZ LYS A 65 -2.567 3.961 7.177 1.00 0.00 N ATOM 0 H LYS A 65 4.151 5.536 5.402 1.00 0.00 H new ATOM 0 HA LYS A 65 2.104 7.631 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.775 5.112 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.481 5.023 6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.641 6.096 7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.173 6.933 6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.456 4.678 5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.124 3.935 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.792 5.793 7.970 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.338 5.905 6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.536 4.146 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.601 3.472 6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.073 3.363 7.870 1.00 0.00 H new