USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=14 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 Set 1.1: A 41 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0214) USER MOD Set 1.2: A 45 MET CE :methyl 170:sc= -0.0293 (180deg=-0.214) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.358 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.51) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -122:sc= -0.0234 (180deg=-0.156) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.5! K(o=-2.5!,f=-1.4) USER MOD Single : A 34 SER OG : rot 180:sc= 0.107 USER MOD Single : A 38 THR OG1 : rot 180:sc= -7.62! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.3) USER MOD Single : A 50 SER OG : rot 180:sc= -0.134 USER MOD Single : A 52 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0246) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.25) USER MOD Single : A 57 TYR OH : rot 90:sc= 0.17 USER MOD Single : A 59 GLN : amide:sc= 0.71 K(o=0.71,f=-0.29) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0516) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N PRO A 12 0.387 6.257 1.969 1.00 0.00 N ATOM 189 CA PRO A 12 0.184 5.141 1.009 1.00 0.00 C ATOM 190 C PRO A 12 -0.194 3.850 1.739 1.00 0.00 C ATOM 191 O PRO A 12 0.253 3.593 2.841 1.00 0.00 O ATOM 192 CB PRO A 12 1.549 4.986 0.338 1.00 0.00 C ATOM 193 CG PRO A 12 2.526 5.535 1.323 1.00 0.00 C ATOM 194 CD PRO A 12 1.812 6.611 2.096 1.00 0.00 C ATOM 0 HA PRO A 12 -0.623 5.341 0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.761 3.941 0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.590 5.531 -0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.882 4.751 1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.400 5.941 0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.127 6.629 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.016 7.600 1.685 1.00 0.00 H new ATOM 202 N SER A 13 -0.993 3.029 1.111 1.00 0.00 N ATOM 203 CA SER A 13 -1.390 1.733 1.734 1.00 0.00 C ATOM 204 C SER A 13 -0.637 0.604 1.031 1.00 0.00 C ATOM 205 O SER A 13 -0.343 0.698 -0.142 1.00 0.00 O ATOM 206 CB SER A 13 -2.894 1.614 1.491 1.00 0.00 C ATOM 207 OG SER A 13 -3.593 2.235 2.563 1.00 0.00 O ATOM 0 H SER A 13 -1.390 3.202 0.187 1.00 0.00 H new ATOM 0 HA SER A 13 -1.159 1.679 2.798 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.160 2.087 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.180 0.565 1.414 1.00 0.00 H new ATOM 0 HG SER A 13 -4.558 2.162 2.410 1.00 0.00 H new ATOM 213 N ALA A 14 -0.330 -0.467 1.725 1.00 0.00 N ATOM 214 CA ALA A 14 0.406 -1.602 1.073 1.00 0.00 C ATOM 215 C ALA A 14 -0.331 -2.061 -0.190 1.00 0.00 C ATOM 216 O ALA A 14 0.275 -2.324 -1.211 1.00 0.00 O ATOM 217 CB ALA A 14 0.434 -2.719 2.113 1.00 0.00 C ATOM 0 H ALA A 14 -0.555 -0.606 2.710 1.00 0.00 H new ATOM 0 HA ALA A 14 1.411 -1.312 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.958 -3.583 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.951 -2.371 3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.587 -3.002 2.371 1.00 0.00 H new ATOM 223 N PHE A 15 -1.636 -2.140 -0.125 1.00 0.00 N ATOM 224 CA PHE A 15 -2.421 -2.562 -1.322 1.00 0.00 C ATOM 225 C PHE A 15 -2.327 -1.482 -2.406 1.00 0.00 C ATOM 226 O PHE A 15 -2.451 -1.764 -3.583 1.00 0.00 O ATOM 227 CB PHE A 15 -3.866 -2.712 -0.826 1.00 0.00 C ATOM 228 CG PHE A 15 -4.766 -3.120 -1.973 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.436 -4.225 -2.767 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.930 -2.389 -2.241 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.270 -4.599 -3.828 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.764 -2.764 -3.301 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.433 -3.868 -4.095 1.00 0.00 C ATOM 0 H PHE A 15 -2.190 -1.930 0.705 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.052 -3.490 -1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.912 -3.459 -0.033 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.212 -1.771 -0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.538 -4.789 -2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.184 -1.536 -1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.016 -5.452 -4.440 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.663 -2.201 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.075 -4.156 -4.914 1.00 0.00 H new ATOM 243 N PHE A 16 -2.107 -0.249 -2.016 1.00 0.00 N ATOM 244 CA PHE A 16 -2.005 0.849 -3.024 1.00 0.00 C ATOM 245 C PHE A 16 -0.716 0.703 -3.828 1.00 0.00 C ATOM 246 O PHE A 16 -0.690 0.969 -5.016 1.00 0.00 O ATOM 247 CB PHE A 16 -2.001 2.149 -2.219 1.00 0.00 C ATOM 248 CG PHE A 16 -2.483 3.283 -3.091 1.00 0.00 C ATOM 249 CD1 PHE A 16 -3.843 3.397 -3.401 1.00 0.00 C ATOM 250 CD2 PHE A 16 -1.570 4.219 -3.592 1.00 0.00 C ATOM 251 CE1 PHE A 16 -4.292 4.449 -4.210 1.00 0.00 C ATOM 252 CE2 PHE A 16 -2.018 5.270 -4.400 1.00 0.00 C ATOM 253 CZ PHE A 16 -3.378 5.384 -4.710 1.00 0.00 C ATOM 0 H PHE A 16 -1.994 0.042 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.829 0.828 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.644 2.050 -1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.996 2.359 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.547 2.674 -3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.520 4.130 -3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.342 4.538 -4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.314 5.993 -4.784 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.723 6.194 -5.336 1.00 0.00 H new ATOM 263 N LEU A 17 0.348 0.248 -3.206 1.00 0.00 N ATOM 264 CA LEU A 17 1.618 0.050 -3.965 1.00 0.00 C ATOM 265 C LEU A 17 1.368 -1.056 -4.993 1.00 0.00 C ATOM 266 O LEU A 17 1.237 -0.786 -6.169 1.00 0.00 O ATOM 267 CB LEU A 17 2.661 -0.362 -2.923 1.00 0.00 C ATOM 268 CG LEU A 17 3.141 0.886 -2.172 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.116 1.277 -1.111 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.477 0.600 -1.488 1.00 0.00 C ATOM 0 H LEU A 17 0.389 0.008 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 17 1.961 0.936 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.231 -1.079 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.503 -0.856 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 17 3.262 1.700 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.462 2.164 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.160 1.490 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.993 0.456 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.812 1.491 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.355 -0.220 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.218 0.325 -2.238 1.00 0.00 H new ATOM 282 N PHE A 18 1.298 -2.293 -4.536 1.00 0.00 N ATOM 283 CA PHE A 18 1.038 -3.475 -5.446 1.00 0.00 C ATOM 284 C PHE A 18 0.080 -3.088 -6.598 1.00 0.00 C ATOM 285 O PHE A 18 0.385 -3.299 -7.758 1.00 0.00 O ATOM 286 CB PHE A 18 0.411 -4.536 -4.514 1.00 0.00 C ATOM 287 CG PHE A 18 -0.239 -5.658 -5.305 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.525 -6.746 -5.744 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.610 -5.605 -5.587 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.084 -7.782 -6.466 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.217 -6.639 -6.309 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.455 -7.728 -6.748 1.00 0.00 C ATOM 0 H PHE A 18 1.412 -2.540 -3.553 1.00 0.00 H new ATOM 0 HA PHE A 18 1.942 -3.840 -5.933 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.180 -4.948 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.333 -4.064 -3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.582 -6.787 -5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.199 -4.766 -5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.504 -8.622 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.274 -6.597 -6.528 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.924 -8.526 -7.304 1.00 0.00 H new ATOM 302 N CYS A 19 -1.062 -2.516 -6.286 1.00 0.00 N ATOM 303 CA CYS A 19 -2.015 -2.113 -7.367 1.00 0.00 C ATOM 304 C CYS A 19 -1.358 -1.074 -8.280 1.00 0.00 C ATOM 305 O CYS A 19 -1.425 -1.167 -9.492 1.00 0.00 O ATOM 306 CB CYS A 19 -3.225 -1.511 -6.638 1.00 0.00 C ATOM 307 SG CYS A 19 -4.476 -0.978 -7.837 1.00 0.00 S ATOM 0 H CYS A 19 -1.372 -2.313 -5.336 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.306 -2.953 -7.997 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.653 -2.248 -5.958 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.908 -0.663 -6.031 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.494 -0.473 -7.206 1.00 0.00 H new ATOM 313 N SER A 20 -0.724 -0.085 -7.703 1.00 0.00 N ATOM 314 CA SER A 20 -0.057 0.976 -8.526 1.00 0.00 C ATOM 315 C SER A 20 0.897 0.350 -9.552 1.00 0.00 C ATOM 316 O SER A 20 1.094 0.885 -10.628 1.00 0.00 O ATOM 317 CB SER A 20 0.725 1.830 -7.526 1.00 0.00 C ATOM 318 OG SER A 20 1.275 2.954 -8.199 1.00 0.00 O ATOM 0 H SER A 20 -0.638 0.036 -6.694 1.00 0.00 H new ATOM 0 HA SER A 20 -0.782 1.564 -9.089 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.069 2.159 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.520 1.240 -7.069 1.00 0.00 H new ATOM 0 HG SER A 20 1.776 3.504 -7.561 1.00 0.00 H new ATOM 324 N GLU A 21 1.492 -0.772 -9.226 1.00 0.00 N ATOM 325 CA GLU A 21 2.444 -1.422 -10.197 1.00 0.00 C ATOM 326 C GLU A 21 1.692 -2.376 -11.132 1.00 0.00 C ATOM 327 O GLU A 21 2.062 -2.527 -12.282 1.00 0.00 O ATOM 328 CB GLU A 21 3.565 -2.200 -9.429 1.00 0.00 C ATOM 329 CG GLU A 21 3.458 -2.118 -7.891 1.00 0.00 C ATOM 330 CD GLU A 21 3.671 -0.672 -7.415 1.00 0.00 C ATOM 331 OE1 GLU A 21 3.675 0.222 -8.247 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.826 -0.486 -6.219 1.00 0.00 O ATOM 0 H GLU A 21 1.366 -1.265 -8.342 1.00 0.00 H new ATOM 0 HA GLU A 21 2.907 -0.638 -10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.533 -3.248 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.536 -1.810 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.479 -2.473 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.201 -2.771 -7.433 1.00 0.00 H new ATOM 339 N HIS A 22 0.645 -3.020 -10.667 1.00 0.00 N ATOM 340 CA HIS A 22 -0.110 -3.957 -11.557 1.00 0.00 C ATOM 341 C HIS A 22 -1.308 -3.247 -12.202 1.00 0.00 C ATOM 342 O HIS A 22 -2.229 -3.885 -12.676 1.00 0.00 O ATOM 343 CB HIS A 22 -0.597 -5.075 -10.635 1.00 0.00 C ATOM 344 CG HIS A 22 0.581 -5.854 -10.119 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.369 -6.639 -10.947 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.113 -5.985 -8.861 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.323 -7.202 -10.182 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.213 -6.835 -8.903 1.00 0.00 N ATOM 0 H HIS A 22 0.284 -2.937 -9.717 1.00 0.00 H new ATOM 0 HA HIS A 22 0.512 -4.331 -12.370 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.160 -4.654 -9.802 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.274 -5.736 -11.175 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.735 -5.501 -7.973 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.085 -7.869 -10.557 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.808 -7.117 -8.124 1.00 0.00 H new ATOM 356 N ARG A 23 -1.303 -1.937 -12.225 1.00 0.00 N ATOM 357 CA ARG A 23 -2.439 -1.190 -12.841 1.00 0.00 C ATOM 358 C ARG A 23 -2.267 -1.058 -14.370 1.00 0.00 C ATOM 359 O ARG A 23 -3.224 -1.256 -15.093 1.00 0.00 O ATOM 360 CB ARG A 23 -2.436 0.183 -12.161 1.00 0.00 C ATOM 361 CG ARG A 23 -3.689 0.958 -12.572 1.00 0.00 C ATOM 362 CD ARG A 23 -3.513 2.437 -12.221 1.00 0.00 C ATOM 363 NE ARG A 23 -3.477 2.476 -10.733 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.995 3.489 -10.094 1.00 0.00 C ATOM 365 NH1 ARG A 23 -3.657 4.707 -10.417 1.00 0.00 N ATOM 366 NH2 ARG A 23 -4.853 3.283 -9.132 1.00 0.00 N ATOM 0 H ARG A 23 -0.559 -1.353 -11.843 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.386 -1.711 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.408 0.064 -11.078 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.542 0.739 -12.444 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.864 0.846 -13.642 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.563 0.554 -12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.594 2.838 -12.649 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.335 3.036 -12.612 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.047 1.711 -10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.987 4.868 -11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.062 5.498 -9.917 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.118 2.331 -8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.258 4.074 -8.632 1.00 0.00 H new ATOM 380 N PRO A 24 -1.071 -0.735 -14.837 1.00 0.00 N ATOM 381 CA PRO A 24 -0.866 -0.602 -16.302 1.00 0.00 C ATOM 382 C PRO A 24 -0.779 -1.983 -16.974 1.00 0.00 C ATOM 383 O PRO A 24 -0.759 -2.083 -18.186 1.00 0.00 O ATOM 384 CB PRO A 24 0.460 0.141 -16.421 1.00 0.00 C ATOM 385 CG PRO A 24 1.197 -0.159 -15.156 1.00 0.00 C ATOM 386 CD PRO A 24 0.173 -0.468 -14.091 1.00 0.00 C ATOM 0 HA PRO A 24 -1.688 -0.081 -16.793 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.022 -0.195 -17.292 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.301 1.213 -16.538 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.870 -1.005 -15.297 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.812 0.691 -14.860 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.470 -1.330 -13.494 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.051 0.369 -13.404 1.00 0.00 H new ATOM 394 N LYS A 25 -0.735 -3.046 -16.202 1.00 0.00 N ATOM 395 CA LYS A 25 -0.659 -4.410 -16.805 1.00 0.00 C ATOM 396 C LYS A 25 -2.067 -4.897 -17.153 1.00 0.00 C ATOM 397 O LYS A 25 -2.278 -5.547 -18.160 1.00 0.00 O ATOM 398 CB LYS A 25 -0.037 -5.291 -15.720 1.00 0.00 C ATOM 399 CG LYS A 25 0.143 -6.712 -16.256 1.00 0.00 C ATOM 400 CD LYS A 25 0.835 -7.574 -15.197 1.00 0.00 C ATOM 401 CE LYS A 25 0.720 -9.050 -15.585 1.00 0.00 C ATOM 402 NZ LYS A 25 1.939 -9.330 -16.395 1.00 0.00 N ATOM 0 H LYS A 25 -0.749 -3.024 -15.182 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.073 -4.430 -17.724 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.926 -4.882 -15.413 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.675 -5.303 -14.836 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.826 -7.141 -16.513 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.736 -6.695 -17.170 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.884 -7.290 -15.111 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.378 -7.407 -14.222 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.677 -9.688 -14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.187 -9.238 -16.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.933 -10.325 -16.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.949 -8.712 -17.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.787 -9.149 -15.821 1.00 0.00 H new ATOM 416 N ILE A 26 -3.031 -4.576 -16.328 1.00 0.00 N ATOM 417 CA ILE A 26 -4.436 -5.004 -16.603 1.00 0.00 C ATOM 418 C ILE A 26 -5.017 -4.209 -17.782 1.00 0.00 C ATOM 419 O ILE A 26 -6.013 -4.595 -18.360 1.00 0.00 O ATOM 420 CB ILE A 26 -5.210 -4.699 -15.310 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.600 -5.485 -14.138 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.683 -5.090 -15.477 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.658 -6.992 -14.415 1.00 0.00 C ATOM 0 H ILE A 26 -2.905 -4.034 -15.473 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.498 -6.058 -16.874 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.143 -3.631 -15.102 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.566 -5.177 -13.985 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.140 -5.257 -13.219 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.224 -4.871 -14.557 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.119 -4.522 -16.299 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.754 -6.156 -15.695 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.222 -7.533 -13.575 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.696 -7.298 -14.545 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.097 -7.217 -15.322 1.00 0.00 H new ATOM 435 N LYS A 27 -4.402 -3.107 -18.143 1.00 0.00 N ATOM 436 CA LYS A 27 -4.922 -2.294 -19.285 1.00 0.00 C ATOM 437 C LYS A 27 -4.552 -2.939 -20.628 1.00 0.00 C ATOM 438 O LYS A 27 -5.143 -2.636 -21.647 1.00 0.00 O ATOM 439 CB LYS A 27 -4.247 -0.929 -19.140 1.00 0.00 C ATOM 440 CG LYS A 27 -4.984 -0.109 -18.081 1.00 0.00 C ATOM 441 CD LYS A 27 -4.357 1.284 -17.987 1.00 0.00 C ATOM 442 CE LYS A 27 -5.291 2.212 -17.206 1.00 0.00 C ATOM 443 NZ LYS A 27 -5.146 1.795 -15.784 1.00 0.00 N ATOM 0 H LYS A 27 -3.563 -2.737 -17.695 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.009 -2.218 -19.268 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.202 -1.056 -18.856 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.256 -0.403 -20.095 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.040 -0.028 -18.339 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.929 -0.610 -17.115 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.388 1.226 -17.492 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.181 1.684 -18.986 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.013 3.257 -17.341 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.322 2.110 -17.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.075 1.518 -15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.493 0.987 -15.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.768 2.588 -15.227 1.00 0.00 H new ATOM 457 N SER A 28 -3.582 -3.823 -20.638 1.00 0.00 N ATOM 458 CA SER A 28 -3.182 -4.484 -21.919 1.00 0.00 C ATOM 459 C SER A 28 -4.236 -5.514 -22.333 1.00 0.00 C ATOM 460 O SER A 28 -4.577 -5.632 -23.495 1.00 0.00 O ATOM 461 CB SER A 28 -1.850 -5.172 -21.617 1.00 0.00 C ATOM 462 OG SER A 28 -1.323 -5.723 -22.817 1.00 0.00 O ATOM 0 H SER A 28 -3.052 -4.114 -19.816 1.00 0.00 H new ATOM 0 HA SER A 28 -3.093 -3.771 -22.739 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.146 -4.456 -21.192 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.993 -5.957 -20.875 1.00 0.00 H new ATOM 0 HG SER A 28 -0.468 -6.163 -22.627 1.00 0.00 H new ATOM 468 N GLU A 29 -4.752 -6.258 -21.388 1.00 0.00 N ATOM 469 CA GLU A 29 -5.786 -7.286 -21.716 1.00 0.00 C ATOM 470 C GLU A 29 -7.204 -6.748 -21.463 1.00 0.00 C ATOM 471 O GLU A 29 -8.179 -7.443 -21.680 1.00 0.00 O ATOM 472 CB GLU A 29 -5.487 -8.456 -20.778 1.00 0.00 C ATOM 473 CG GLU A 29 -4.318 -9.271 -21.336 1.00 0.00 C ATOM 474 CD GLU A 29 -4.820 -10.183 -22.457 1.00 0.00 C ATOM 475 OE1 GLU A 29 -5.600 -11.074 -22.164 1.00 0.00 O ATOM 476 OE2 GLU A 29 -4.416 -9.974 -23.589 1.00 0.00 O ATOM 0 H GLU A 29 -4.501 -6.198 -20.401 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.749 -7.573 -22.767 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.243 -8.085 -19.783 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.369 -9.088 -20.675 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.544 -8.604 -21.715 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.865 -9.867 -20.543 1.00 0.00 H new ATOM 483 N HIS A 30 -7.332 -5.519 -21.013 1.00 0.00 N ATOM 484 CA HIS A 30 -8.691 -4.949 -20.758 1.00 0.00 C ATOM 485 C HIS A 30 -8.706 -3.453 -21.107 1.00 0.00 C ATOM 486 O HIS A 30 -8.479 -2.622 -20.250 1.00 0.00 O ATOM 487 CB HIS A 30 -8.953 -5.148 -19.261 1.00 0.00 C ATOM 488 CG HIS A 30 -8.889 -6.610 -18.915 1.00 0.00 C ATOM 489 ND1 HIS A 30 -10.025 -7.398 -18.815 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.833 -7.438 -18.635 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.628 -8.642 -18.487 1.00 0.00 C ATOM 492 NE2 HIS A 30 -8.300 -8.720 -18.364 1.00 0.00 N ATOM 0 H HIS A 30 -6.554 -4.890 -20.813 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.455 -5.435 -21.365 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.216 -4.596 -18.678 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.932 -4.747 -18.999 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.795 -7.140 -18.626 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.300 -9.474 -18.341 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.747 -9.543 -18.123 1.00 0.00 H new ATOM 500 N PRO A 31 -8.977 -3.149 -22.358 1.00 0.00 N ATOM 501 CA PRO A 31 -9.017 -1.730 -22.797 1.00 0.00 C ATOM 502 C PRO A 31 -10.219 -1.011 -22.174 1.00 0.00 C ATOM 503 O PRO A 31 -11.358 -1.322 -22.469 1.00 0.00 O ATOM 504 CB PRO A 31 -9.164 -1.828 -24.315 1.00 0.00 C ATOM 505 CG PRO A 31 -9.784 -3.165 -24.552 1.00 0.00 C ATOM 506 CD PRO A 31 -9.266 -4.071 -23.468 1.00 0.00 C ATOM 0 HA PRO A 31 -8.136 -1.162 -22.496 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.792 -1.026 -24.704 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.197 -1.746 -24.812 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.872 -3.100 -24.518 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.518 -3.547 -25.538 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.005 -4.821 -23.185 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.373 -4.608 -23.787 1.00 0.00 H new ATOM 514 N GLY A 32 -9.969 -0.055 -21.315 1.00 0.00 N ATOM 515 CA GLY A 32 -11.090 0.688 -20.667 1.00 0.00 C ATOM 516 C GLY A 32 -11.314 0.182 -19.234 1.00 0.00 C ATOM 517 O GLY A 32 -12.055 0.775 -18.475 1.00 0.00 O ATOM 0 H GLY A 32 -9.035 0.243 -21.035 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.866 1.755 -20.651 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.002 0.562 -21.250 1.00 0.00 H new ATOM 521 N LEU A 33 -10.690 -0.915 -18.856 1.00 0.00 N ATOM 522 CA LEU A 33 -10.879 -1.465 -17.470 1.00 0.00 C ATOM 523 C LEU A 33 -10.672 -0.381 -16.406 1.00 0.00 C ATOM 524 O LEU A 33 -9.569 0.070 -16.165 1.00 0.00 O ATOM 525 CB LEU A 33 -9.817 -2.564 -17.331 1.00 0.00 C ATOM 526 CG LEU A 33 -10.348 -3.724 -16.474 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.686 -3.219 -15.071 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.606 -4.322 -17.116 1.00 0.00 C ATOM 0 H LEU A 33 -10.058 -1.453 -19.449 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.891 -1.844 -17.324 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.536 -2.933 -18.318 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.916 -2.151 -16.876 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.578 -4.493 -16.409 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.062 -4.045 -14.468 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.789 -2.809 -14.606 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.448 -2.442 -15.138 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.974 -5.143 -16.500 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.375 -3.554 -17.193 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.364 -4.695 -18.111 1.00 0.00 H new ATOM 540 N SER A 34 -11.738 0.026 -15.772 1.00 0.00 N ATOM 541 CA SER A 34 -11.639 1.076 -14.712 1.00 0.00 C ATOM 542 C SER A 34 -10.922 0.511 -13.482 1.00 0.00 C ATOM 543 O SER A 34 -10.326 -0.549 -13.537 1.00 0.00 O ATOM 544 CB SER A 34 -13.088 1.439 -14.372 1.00 0.00 C ATOM 545 OG SER A 34 -13.885 0.260 -14.372 1.00 0.00 O ATOM 0 H SER A 34 -12.680 -0.325 -15.942 1.00 0.00 H new ATOM 0 HA SER A 34 -11.072 1.946 -15.042 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.134 1.922 -13.396 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.476 2.153 -15.099 1.00 0.00 H new ATOM 0 HG SER A 34 -14.812 0.492 -14.153 1.00 0.00 H new ATOM 551 N ILE A 35 -10.977 1.208 -12.374 1.00 0.00 N ATOM 552 CA ILE A 35 -10.300 0.712 -11.136 1.00 0.00 C ATOM 553 C ILE A 35 -11.262 -0.151 -10.300 1.00 0.00 C ATOM 554 O ILE A 35 -11.017 -0.409 -9.137 1.00 0.00 O ATOM 555 CB ILE A 35 -9.901 1.978 -10.365 1.00 0.00 C ATOM 556 CG1 ILE A 35 -8.994 2.867 -11.237 1.00 0.00 C ATOM 557 CG2 ILE A 35 -9.156 1.591 -9.083 1.00 0.00 C ATOM 558 CD1 ILE A 35 -7.724 2.105 -11.636 1.00 0.00 C ATOM 0 H ILE A 35 -11.462 2.100 -12.273 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.439 0.085 -11.365 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.804 2.532 -10.108 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.533 3.182 -12.131 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.727 3.772 -10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.875 2.493 -8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.804 0.977 -8.457 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.259 1.028 -9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.093 2.746 -12.252 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.178 1.813 -10.739 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.997 1.214 -12.201 1.00 0.00 H new ATOM 570 N GLY A 36 -12.350 -0.602 -10.883 1.00 0.00 N ATOM 571 CA GLY A 36 -13.316 -1.447 -10.121 1.00 0.00 C ATOM 572 C GLY A 36 -12.982 -2.924 -10.340 1.00 0.00 C ATOM 573 O GLY A 36 -12.629 -3.632 -9.416 1.00 0.00 O ATOM 0 H GLY A 36 -12.607 -0.419 -11.853 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.268 -1.206 -9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.335 -1.241 -10.449 1.00 0.00 H new ATOM 577 N ASP A 37 -13.088 -3.389 -11.560 1.00 0.00 N ATOM 578 CA ASP A 37 -12.774 -4.823 -11.849 1.00 0.00 C ATOM 579 C ASP A 37 -11.299 -5.103 -11.550 1.00 0.00 C ATOM 580 O ASP A 37 -10.960 -6.092 -10.929 1.00 0.00 O ATOM 581 CB ASP A 37 -13.062 -5.008 -13.341 1.00 0.00 C ATOM 582 CG ASP A 37 -14.573 -5.105 -13.561 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.149 -6.097 -13.146 1.00 0.00 O ATOM 584 OD2 ASP A 37 -15.127 -4.186 -14.141 1.00 0.00 O ATOM 0 H ASP A 37 -13.378 -2.838 -12.368 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.364 -5.506 -11.238 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.654 -4.171 -13.907 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.572 -5.910 -13.708 1.00 0.00 H new ATOM 589 N THR A 38 -10.422 -4.232 -11.985 1.00 0.00 N ATOM 590 CA THR A 38 -8.962 -4.435 -11.725 1.00 0.00 C ATOM 591 C THR A 38 -8.711 -4.472 -10.210 1.00 0.00 C ATOM 592 O THR A 38 -7.881 -5.220 -9.730 1.00 0.00 O ATOM 593 CB THR A 38 -8.270 -3.229 -12.400 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.277 -3.421 -13.806 1.00 0.00 O ATOM 595 CG2 THR A 38 -6.817 -3.089 -11.926 1.00 0.00 C ATOM 0 H THR A 38 -10.654 -3.388 -12.509 1.00 0.00 H new ATOM 0 HA THR A 38 -8.578 -5.375 -12.121 1.00 0.00 H new ATOM 0 HB THR A 38 -8.813 -2.323 -12.131 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.841 -2.659 -14.242 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.355 -2.233 -12.417 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.799 -2.941 -10.846 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.263 -3.994 -12.178 1.00 0.00 H new ATOM 603 N ALA A 39 -9.431 -3.676 -9.460 1.00 0.00 N ATOM 604 CA ALA A 39 -9.246 -3.668 -7.977 1.00 0.00 C ATOM 605 C ALA A 39 -9.706 -5.004 -7.391 1.00 0.00 C ATOM 606 O ALA A 39 -9.192 -5.462 -6.388 1.00 0.00 O ATOM 607 CB ALA A 39 -10.127 -2.525 -7.466 1.00 0.00 C ATOM 0 H ALA A 39 -10.139 -3.031 -9.811 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.204 -3.530 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.043 -2.458 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.801 -1.586 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.165 -2.716 -7.738 1.00 0.00 H new ATOM 613 N LYS A 40 -10.667 -5.634 -8.019 1.00 0.00 N ATOM 614 CA LYS A 40 -11.163 -6.948 -7.515 1.00 0.00 C ATOM 615 C LYS A 40 -10.199 -8.062 -7.930 1.00 0.00 C ATOM 616 O LYS A 40 -10.057 -9.058 -7.245 1.00 0.00 O ATOM 617 CB LYS A 40 -12.528 -7.142 -8.179 1.00 0.00 C ATOM 618 CG LYS A 40 -13.592 -6.375 -7.392 1.00 0.00 C ATOM 619 CD LYS A 40 -14.884 -6.309 -8.210 1.00 0.00 C ATOM 620 CE LYS A 40 -15.980 -5.636 -7.379 1.00 0.00 C ATOM 621 NZ LYS A 40 -17.085 -5.375 -8.343 1.00 0.00 N ATOM 0 H LYS A 40 -11.130 -5.293 -8.861 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.236 -6.975 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.497 -6.788 -9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.780 -8.202 -8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.778 -6.867 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.239 -5.368 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.716 -5.750 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.196 -7.313 -8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.310 -6.281 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.622 -4.710 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.875 -4.914 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.743 -4.754 -9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.410 -6.275 -8.751 1.00 0.00 H new ATOM 635 N LYS A 41 -9.534 -7.894 -9.044 1.00 0.00 N ATOM 636 CA LYS A 41 -8.568 -8.934 -9.513 1.00 0.00 C ATOM 637 C LYS A 41 -7.191 -8.719 -8.868 1.00 0.00 C ATOM 638 O LYS A 41 -6.380 -9.624 -8.808 1.00 0.00 O ATOM 639 CB LYS A 41 -8.486 -8.741 -11.028 1.00 0.00 C ATOM 640 CG LYS A 41 -7.859 -9.980 -11.667 1.00 0.00 C ATOM 641 CD LYS A 41 -8.258 -10.051 -13.143 1.00 0.00 C ATOM 642 CE LYS A 41 -7.517 -11.207 -13.818 1.00 0.00 C ATOM 643 NZ LYS A 41 -6.195 -10.642 -14.206 1.00 0.00 N ATOM 0 H LYS A 41 -9.618 -7.079 -9.651 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.886 -9.941 -9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.482 -8.572 -11.438 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.891 -7.858 -11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.774 -9.940 -11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.191 -10.878 -11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.335 -10.194 -13.233 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.018 -9.111 -13.641 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.401 -12.052 -13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.062 -11.570 -14.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.468 -11.383 -14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.242 -10.287 -15.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.950 -9.861 -13.565 1.00 0.00 H new ATOM 657 N LEU A 42 -6.926 -7.529 -8.384 1.00 0.00 N ATOM 658 CA LEU A 42 -5.609 -7.250 -7.739 1.00 0.00 C ATOM 659 C LEU A 42 -5.670 -7.594 -6.252 1.00 0.00 C ATOM 660 O LEU A 42 -4.825 -8.298 -5.735 1.00 0.00 O ATOM 661 CB LEU A 42 -5.395 -5.751 -7.928 1.00 0.00 C ATOM 662 CG LEU A 42 -4.462 -5.509 -9.112 1.00 0.00 C ATOM 663 CD1 LEU A 42 -5.143 -5.950 -10.407 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.139 -4.022 -9.192 1.00 0.00 C ATOM 0 H LEU A 42 -7.569 -6.738 -8.409 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.800 -7.840 -8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.351 -5.256 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.969 -5.318 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.545 -6.083 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.473 -5.775 -11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.383 -7.012 -10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.060 -5.378 -10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.473 -3.839 -10.035 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.061 -3.456 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.652 -3.705 -8.270 1.00 0.00 H new ATOM 676 N GLY A 43 -6.674 -7.106 -5.561 1.00 0.00 N ATOM 677 CA GLY A 43 -6.807 -7.408 -4.100 1.00 0.00 C ATOM 678 C GLY A 43 -6.816 -8.925 -3.892 1.00 0.00 C ATOM 679 O GLY A 43 -6.400 -9.421 -2.862 1.00 0.00 O ATOM 0 H GLY A 43 -7.407 -6.511 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.981 -6.959 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.726 -6.971 -3.709 1.00 0.00 H new ATOM 683 N GLU A 44 -7.257 -9.663 -4.882 1.00 0.00 N ATOM 684 CA GLU A 44 -7.259 -11.147 -4.765 1.00 0.00 C ATOM 685 C GLU A 44 -5.820 -11.643 -4.883 1.00 0.00 C ATOM 686 O GLU A 44 -5.408 -12.563 -4.203 1.00 0.00 O ATOM 687 CB GLU A 44 -8.105 -11.650 -5.937 1.00 0.00 C ATOM 688 CG GLU A 44 -8.269 -13.167 -5.836 1.00 0.00 C ATOM 689 CD GLU A 44 -9.436 -13.494 -4.902 1.00 0.00 C ATOM 690 OE1 GLU A 44 -10.566 -13.243 -5.288 1.00 0.00 O ATOM 691 OE2 GLU A 44 -9.180 -13.991 -3.817 1.00 0.00 O ATOM 0 H GLU A 44 -7.615 -9.298 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.662 -11.501 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.082 -11.167 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.629 -11.387 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.451 -13.590 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.351 -13.618 -5.460 1.00 0.00 H new ATOM 698 N MET A 45 -5.048 -11.018 -5.740 1.00 0.00 N ATOM 699 CA MET A 45 -3.623 -11.424 -5.908 1.00 0.00 C ATOM 700 C MET A 45 -2.786 -10.841 -4.767 1.00 0.00 C ATOM 701 O MET A 45 -1.950 -11.515 -4.202 1.00 0.00 O ATOM 702 CB MET A 45 -3.189 -10.827 -7.249 1.00 0.00 C ATOM 703 CG MET A 45 -3.579 -11.779 -8.382 1.00 0.00 C ATOM 704 SD MET A 45 -3.013 -11.098 -9.962 1.00 0.00 S ATOM 705 CE MET A 45 -4.408 -11.665 -10.966 1.00 0.00 C ATOM 0 H MET A 45 -5.348 -10.242 -6.331 1.00 0.00 H new ATOM 0 HA MET A 45 -3.493 -12.506 -5.889 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.662 -9.856 -7.397 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.112 -10.661 -7.254 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.135 -12.760 -8.216 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.660 -11.918 -8.400 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.358 -11.203 -11.952 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.364 -12.749 -11.070 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.343 -11.384 -10.481 1.00 0.00 H new ATOM 715 N TRP A 46 -3.030 -9.600 -4.402 1.00 0.00 N ATOM 716 CA TRP A 46 -2.268 -8.960 -3.270 1.00 0.00 C ATOM 717 C TRP A 46 -2.301 -9.873 -2.036 1.00 0.00 C ATOM 718 O TRP A 46 -1.280 -10.169 -1.445 1.00 0.00 O ATOM 719 CB TRP A 46 -3.001 -7.631 -3.008 1.00 0.00 C ATOM 720 CG TRP A 46 -2.450 -6.967 -1.786 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.166 -6.618 -0.692 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.079 -6.573 -1.522 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.313 -6.032 0.228 1.00 0.00 N ATOM 724 CE2 TRP A 46 -1.014 -5.982 -0.241 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.103 -6.672 -2.270 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.188 -5.506 0.282 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.314 -6.195 -1.751 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.356 -5.613 -0.478 1.00 0.00 C ATOM 0 H TRP A 46 -3.727 -8.999 -4.841 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.216 -8.796 -3.504 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.892 -6.972 -3.869 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.068 -7.815 -2.881 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.227 -6.771 -0.559 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.607 -5.681 1.139 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.080 -7.119 -3.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.216 -5.059 1.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.219 -6.277 -2.335 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.292 -5.246 -0.083 1.00 0.00 H new ATOM 739 N SER A 47 -3.469 -10.327 -1.657 1.00 0.00 N ATOM 740 CA SER A 47 -3.579 -11.234 -0.473 1.00 0.00 C ATOM 741 C SER A 47 -2.903 -12.586 -0.757 1.00 0.00 C ATOM 742 O SER A 47 -2.753 -13.404 0.131 1.00 0.00 O ATOM 743 CB SER A 47 -5.081 -11.428 -0.255 1.00 0.00 C ATOM 744 OG SER A 47 -5.319 -11.772 1.104 1.00 0.00 O ATOM 0 H SER A 47 -4.353 -10.109 -2.117 1.00 0.00 H new ATOM 0 HA SER A 47 -3.086 -10.814 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.618 -10.514 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.457 -12.213 -0.912 1.00 0.00 H new ATOM 0 HG SER A 47 -6.281 -11.895 1.247 1.00 0.00 H new ATOM 750 N GLU A 48 -2.484 -12.826 -1.981 1.00 0.00 N ATOM 751 CA GLU A 48 -1.812 -14.111 -2.312 1.00 0.00 C ATOM 752 C GLU A 48 -0.302 -13.904 -2.450 1.00 0.00 C ATOM 753 O GLU A 48 0.456 -14.856 -2.421 1.00 0.00 O ATOM 754 CB GLU A 48 -2.419 -14.533 -3.651 1.00 0.00 C ATOM 755 CG GLU A 48 -3.682 -15.361 -3.404 1.00 0.00 C ATOM 756 CD GLU A 48 -3.288 -16.769 -2.952 1.00 0.00 C ATOM 757 OE1 GLU A 48 -2.941 -16.922 -1.792 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.342 -17.670 -3.773 1.00 0.00 O ATOM 0 H GLU A 48 -2.583 -12.179 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.956 -14.865 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.660 -13.652 -4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.696 -15.115 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.300 -14.883 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.279 -15.413 -4.314 1.00 0.00 H new ATOM 765 N GLN A 49 0.153 -12.675 -2.591 1.00 0.00 N ATOM 766 CA GLN A 49 1.622 -12.442 -2.718 1.00 0.00 C ATOM 767 C GLN A 49 2.320 -12.893 -1.439 1.00 0.00 C ATOM 768 O GLN A 49 1.809 -12.719 -0.350 1.00 0.00 O ATOM 769 CB GLN A 49 1.800 -10.923 -2.898 1.00 0.00 C ATOM 770 CG GLN A 49 1.069 -10.434 -4.154 1.00 0.00 C ATOM 771 CD GLN A 49 1.580 -11.176 -5.393 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.730 -11.568 -5.452 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.767 -11.384 -6.393 1.00 0.00 N ATOM 0 H GLN A 49 -0.427 -11.837 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 49 2.048 -12.996 -3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.416 -10.401 -2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.861 -10.683 -2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.004 -10.594 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.221 -9.362 -4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.197 -11.055 -6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.096 -11.875 -7.224 1.00 0.00 H new ATOM 782 N SER A 50 3.488 -13.453 -1.563 1.00 0.00 N ATOM 783 CA SER A 50 4.238 -13.893 -0.354 1.00 0.00 C ATOM 784 C SER A 50 5.144 -12.732 0.108 1.00 0.00 C ATOM 785 O SER A 50 4.645 -11.695 0.503 1.00 0.00 O ATOM 786 CB SER A 50 5.027 -15.127 -0.809 1.00 0.00 C ATOM 787 OG SER A 50 5.912 -14.758 -1.858 1.00 0.00 O ATOM 0 H SER A 50 3.958 -13.626 -2.451 1.00 0.00 H new ATOM 0 HA SER A 50 3.608 -14.149 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.589 -15.542 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.344 -15.904 -1.151 1.00 0.00 H new ATOM 0 HG SER A 50 6.419 -15.544 -2.150 1.00 0.00 H new ATOM 793 N ALA A 51 6.454 -12.868 0.052 1.00 0.00 N ATOM 794 CA ALA A 51 7.336 -11.740 0.476 1.00 0.00 C ATOM 795 C ALA A 51 7.962 -11.051 -0.750 1.00 0.00 C ATOM 796 O ALA A 51 8.626 -10.040 -0.622 1.00 0.00 O ATOM 797 CB ALA A 51 8.418 -12.384 1.343 1.00 0.00 C ATOM 0 H ALA A 51 6.941 -13.706 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 51 6.784 -10.972 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.108 -11.616 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.954 -12.874 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.965 -13.121 0.755 1.00 0.00 H new ATOM 803 N LYS A 52 7.758 -11.585 -1.933 1.00 0.00 N ATOM 804 CA LYS A 52 8.342 -10.951 -3.154 1.00 0.00 C ATOM 805 C LYS A 52 7.559 -9.685 -3.512 1.00 0.00 C ATOM 806 O LYS A 52 8.129 -8.662 -3.838 1.00 0.00 O ATOM 807 CB LYS A 52 8.198 -12.001 -4.258 1.00 0.00 C ATOM 808 CG LYS A 52 8.998 -11.567 -5.487 1.00 0.00 C ATOM 809 CD LYS A 52 8.761 -12.563 -6.624 1.00 0.00 C ATOM 810 CE LYS A 52 9.832 -13.656 -6.577 1.00 0.00 C ATOM 811 NZ LYS A 52 11.007 -13.072 -7.282 1.00 0.00 N ATOM 0 H LYS A 52 7.213 -12.431 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 52 9.381 -10.655 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.554 -12.968 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.147 -12.125 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.696 -10.566 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.060 -11.520 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.769 -13.006 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.793 -12.049 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.080 -13.922 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.489 -14.567 -7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.883 -13.459 -6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.959 -13.311 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.001 -12.038 -7.170 1.00 0.00 H new ATOM 825 N ASP A 53 6.254 -9.752 -3.446 1.00 0.00 N ATOM 826 CA ASP A 53 5.417 -8.560 -3.775 1.00 0.00 C ATOM 827 C ASP A 53 4.485 -8.235 -2.604 1.00 0.00 C ATOM 828 O ASP A 53 3.277 -8.192 -2.747 1.00 0.00 O ATOM 829 CB ASP A 53 4.609 -8.971 -5.004 1.00 0.00 C ATOM 830 CG ASP A 53 5.246 -8.380 -6.264 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.384 -8.718 -6.543 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.584 -7.598 -6.927 1.00 0.00 O ATOM 0 H ASP A 53 5.730 -10.585 -3.177 1.00 0.00 H new ATOM 0 HA ASP A 53 6.018 -7.670 -3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.572 -10.058 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.581 -8.623 -4.908 1.00 0.00 H new ATOM 837 N LYS A 54 5.044 -8.009 -1.444 1.00 0.00 N ATOM 838 CA LYS A 54 4.208 -7.687 -0.254 1.00 0.00 C ATOM 839 C LYS A 54 5.074 -7.228 0.922 1.00 0.00 C ATOM 840 O LYS A 54 4.679 -6.372 1.694 1.00 0.00 O ATOM 841 CB LYS A 54 3.506 -9.001 0.081 1.00 0.00 C ATOM 842 CG LYS A 54 2.056 -8.713 0.483 1.00 0.00 C ATOM 843 CD LYS A 54 1.478 -9.890 1.264 1.00 0.00 C ATOM 844 CE LYS A 54 2.093 -9.931 2.665 1.00 0.00 C ATOM 845 NZ LYS A 54 1.223 -9.050 3.492 1.00 0.00 N ATOM 0 H LYS A 54 6.049 -8.034 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 54 3.510 -6.874 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.531 -9.669 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.027 -9.508 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.013 -7.809 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.455 -8.528 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.394 -9.795 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.683 -10.823 0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.113 -10.948 3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.122 -9.573 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.581 -9.027 4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.229 -8.088 3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.251 -9.420 3.488 1.00 0.00 H new ATOM 859 N GLN A 55 6.247 -7.787 1.066 1.00 0.00 N ATOM 860 CA GLN A 55 7.141 -7.382 2.198 1.00 0.00 C ATOM 861 C GLN A 55 7.685 -5.960 1.978 1.00 0.00 C ATOM 862 O GLN A 55 7.530 -5.113 2.835 1.00 0.00 O ATOM 863 CB GLN A 55 8.281 -8.402 2.201 1.00 0.00 C ATOM 864 CG GLN A 55 7.960 -9.529 3.185 1.00 0.00 C ATOM 865 CD GLN A 55 7.935 -8.974 4.611 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.968 -8.668 5.174 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.791 -8.830 5.221 1.00 0.00 N ATOM 0 H GLN A 55 6.627 -8.506 0.451 1.00 0.00 H new ATOM 0 HA GLN A 55 6.608 -7.369 3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.421 -8.809 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.216 -7.917 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.996 -9.975 2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.706 -10.319 3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.925 -9.087 4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.763 -8.460 6.171 1.00 0.00 H new ATOM 876 N PRO A 56 8.311 -5.730 0.840 1.00 0.00 N ATOM 877 CA PRO A 56 8.868 -4.382 0.556 1.00 0.00 C ATOM 878 C PRO A 56 7.753 -3.372 0.232 1.00 0.00 C ATOM 879 O PRO A 56 8.014 -2.195 0.064 1.00 0.00 O ATOM 880 CB PRO A 56 9.756 -4.608 -0.663 1.00 0.00 C ATOM 881 CG PRO A 56 9.194 -5.818 -1.337 1.00 0.00 C ATOM 882 CD PRO A 56 8.565 -6.671 -0.266 1.00 0.00 C ATOM 0 HA PRO A 56 9.406 -3.967 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.740 -3.744 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.794 -4.766 -0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.455 -5.533 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.978 -6.369 -1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.642 -7.134 -0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.229 -7.478 0.042 1.00 0.00 H new ATOM 890 N TYR A 57 6.520 -3.815 0.140 1.00 0.00 N ATOM 891 CA TYR A 57 5.404 -2.874 -0.177 1.00 0.00 C ATOM 892 C TYR A 57 4.834 -2.265 1.108 1.00 0.00 C ATOM 893 O TYR A 57 4.490 -1.098 1.149 1.00 0.00 O ATOM 894 CB TYR A 57 4.352 -3.732 -0.879 1.00 0.00 C ATOM 895 CG TYR A 57 4.824 -4.062 -2.275 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.894 -4.945 -2.465 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.192 -3.483 -3.382 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.331 -5.249 -3.760 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.629 -3.787 -4.677 1.00 0.00 C ATOM 900 CZ TYR A 57 5.698 -4.669 -4.866 1.00 0.00 C ATOM 901 OH TYR A 57 6.129 -4.968 -6.143 1.00 0.00 O ATOM 0 H TYR A 57 6.241 -4.787 0.271 1.00 0.00 H new ATOM 0 HA TYR A 57 5.733 -2.041 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.179 -4.649 -0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.402 -3.200 -0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.383 -5.392 -1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.367 -2.801 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.156 -5.931 -3.906 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.140 -3.340 -5.530 1.00 0.00 H new ATOM 0 HH TYR A 57 5.639 -5.747 -6.479 1.00 0.00 H new ATOM 911 N GLU A 58 4.730 -3.045 2.155 1.00 0.00 N ATOM 912 CA GLU A 58 4.180 -2.512 3.438 1.00 0.00 C ATOM 913 C GLU A 58 5.273 -1.781 4.228 1.00 0.00 C ATOM 914 O GLU A 58 4.986 -0.919 5.038 1.00 0.00 O ATOM 915 CB GLU A 58 3.677 -3.741 4.207 1.00 0.00 C ATOM 916 CG GLU A 58 4.838 -4.711 4.476 1.00 0.00 C ATOM 917 CD GLU A 58 5.179 -4.712 5.969 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.269 -3.636 6.537 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.343 -5.789 6.519 1.00 0.00 O ATOM 0 H GLU A 58 5.002 -4.028 2.176 1.00 0.00 H new ATOM 0 HA GLU A 58 3.381 -1.789 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.228 -3.430 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.899 -4.244 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.565 -5.716 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.712 -4.417 3.894 1.00 0.00 H new ATOM 926 N GLN A 59 6.521 -2.101 3.985 1.00 0.00 N ATOM 927 CA GLN A 59 7.630 -1.403 4.707 1.00 0.00 C ATOM 928 C GLN A 59 7.974 -0.079 4.005 1.00 0.00 C ATOM 929 O GLN A 59 8.774 0.697 4.495 1.00 0.00 O ATOM 930 CB GLN A 59 8.816 -2.364 4.641 1.00 0.00 C ATOM 931 CG GLN A 59 8.458 -3.672 5.350 1.00 0.00 C ATOM 932 CD GLN A 59 8.605 -3.492 6.861 1.00 0.00 C ATOM 933 OE1 GLN A 59 9.635 -3.805 7.425 1.00 0.00 O ATOM 934 NE2 GLN A 59 7.612 -2.996 7.547 1.00 0.00 N ATOM 0 H GLN A 59 6.819 -2.814 3.319 1.00 0.00 H new ATOM 0 HA GLN A 59 7.360 -1.158 5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.079 -2.562 3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.690 -1.912 5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.436 -3.962 5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.109 -4.475 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.747 -2.733 7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.701 -2.871 8.555 1.00 0.00 H new ATOM 943 N LYS A 60 7.362 0.193 2.876 1.00 0.00 N ATOM 944 CA LYS A 60 7.630 1.470 2.156 1.00 0.00 C ATOM 945 C LYS A 60 6.535 2.481 2.503 1.00 0.00 C ATOM 946 O LYS A 60 6.749 3.679 2.473 1.00 0.00 O ATOM 947 CB LYS A 60 7.581 1.109 0.671 1.00 0.00 C ATOM 948 CG LYS A 60 8.343 2.161 -0.137 1.00 0.00 C ATOM 949 CD LYS A 60 7.765 2.235 -1.551 1.00 0.00 C ATOM 950 CE LYS A 60 8.734 2.993 -2.460 1.00 0.00 C ATOM 951 NZ LYS A 60 8.243 2.739 -3.843 1.00 0.00 N ATOM 0 H LYS A 60 6.685 -0.421 2.423 1.00 0.00 H new ATOM 0 HA LYS A 60 8.587 1.916 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.020 0.124 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.546 1.055 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.268 3.133 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.402 1.906 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.596 1.231 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.798 2.737 -1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.737 4.059 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.756 2.636 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.858 3.227 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.257 1.717 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.270 3.095 -3.937 1.00 0.00 H new ATOM 965 N ALA A 61 5.365 2.000 2.848 1.00 0.00 N ATOM 966 CA ALA A 61 4.249 2.912 3.217 1.00 0.00 C ATOM 967 C ALA A 61 4.149 3.007 4.740 1.00 0.00 C ATOM 968 O ALA A 61 3.763 4.024 5.286 1.00 0.00 O ATOM 969 CB ALA A 61 2.997 2.253 2.636 1.00 0.00 C ATOM 0 H ALA A 61 5.139 1.006 2.889 1.00 0.00 H new ATOM 0 HA ALA A 61 4.387 3.924 2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.124 2.865 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.103 2.161 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.871 1.263 3.074 1.00 0.00 H new ATOM 975 N ALA A 62 4.506 1.951 5.424 1.00 0.00 N ATOM 976 CA ALA A 62 4.448 1.965 6.918 1.00 0.00 C ATOM 977 C ALA A 62 5.457 2.974 7.466 1.00 0.00 C ATOM 978 O ALA A 62 5.172 3.696 8.404 1.00 0.00 O ATOM 979 CB ALA A 62 4.814 0.545 7.353 1.00 0.00 C ATOM 0 H ALA A 62 4.836 1.078 5.013 1.00 0.00 H new ATOM 0 HA ALA A 62 3.466 2.256 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.792 0.481 8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.097 -0.160 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.814 0.301 6.995 1.00 0.00 H new ATOM 985 N LYS A 63 6.629 3.042 6.881 1.00 0.00 N ATOM 986 CA LYS A 63 7.651 4.021 7.360 1.00 0.00 C ATOM 987 C LYS A 63 7.384 5.416 6.768 1.00 0.00 C ATOM 988 O LYS A 63 8.036 6.379 7.125 1.00 0.00 O ATOM 989 CB LYS A 63 8.990 3.475 6.859 1.00 0.00 C ATOM 990 CG LYS A 63 10.136 4.219 7.546 1.00 0.00 C ATOM 991 CD LYS A 63 11.436 3.433 7.367 1.00 0.00 C ATOM 992 CE LYS A 63 12.002 3.693 5.969 1.00 0.00 C ATOM 993 NZ LYS A 63 12.773 4.961 6.096 1.00 0.00 N ATOM 0 H LYS A 63 6.920 2.462 6.094 1.00 0.00 H new ATOM 0 HA LYS A 63 7.633 4.132 8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.060 2.407 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.062 3.595 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.241 5.218 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.918 4.345 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.160 3.730 8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.251 2.368 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.642 2.873 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.205 3.788 5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.744 5.477 5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.353 5.549 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.761 4.744 6.339 1.00 0.00 H new ATOM 1007 N LEU A 64 6.422 5.535 5.880 1.00 0.00 N ATOM 1008 CA LEU A 64 6.103 6.864 5.280 1.00 0.00 C ATOM 1009 C LEU A 64 4.846 7.445 5.939 1.00 0.00 C ATOM 1010 O LEU A 64 4.626 8.641 5.925 1.00 0.00 O ATOM 1011 CB LEU A 64 5.854 6.583 3.798 1.00 0.00 C ATOM 1012 CG LEU A 64 7.149 6.789 3.012 1.00 0.00 C ATOM 1013 CD1 LEU A 64 6.939 6.363 1.558 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.541 8.268 3.056 1.00 0.00 C ATOM 0 H LEU A 64 5.844 4.763 5.547 1.00 0.00 H new ATOM 0 HA LEU A 64 6.904 7.589 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.495 5.562 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.077 7.246 3.418 1.00 0.00 H new ATOM 0 HG LEU A 64 7.942 6.187 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.863 6.510 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.658 5.310 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.146 6.964 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.464 8.417 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.747 8.868 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.691 8.574 4.091 1.00 0.00 H new ATOM 1026 N LYS A 65 4.028 6.603 6.526 1.00 0.00 N ATOM 1027 CA LYS A 65 2.789 7.095 7.200 1.00 0.00 C ATOM 1028 C LYS A 65 3.149 7.716 8.556 1.00 0.00 C ATOM 1029 O LYS A 65 2.702 8.797 8.891 1.00 0.00 O ATOM 1030 CB LYS A 65 1.918 5.845 7.382 1.00 0.00 C ATOM 1031 CG LYS A 65 0.630 6.208 8.130 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.413 5.110 7.915 1.00 0.00 C ATOM 1033 CE LYS A 65 -0.060 3.894 8.774 1.00 0.00 C ATOM 1034 NZ LYS A 65 -1.313 3.089 8.835 1.00 0.00 N ATOM 0 H LYS A 65 4.168 5.593 6.566 1.00 0.00 H new ATOM 0 HA LYS A 65 2.272 7.864 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.675 5.416 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.469 5.085 7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.836 6.325 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.246 7.164 7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.404 5.479 8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.447 4.827 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.756 3.322 8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.265 4.195 9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.150 2.237 9.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.070 3.657 9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.594 2.811 7.873 1.00 0.00 H new