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 Single : A 13 SER OG : rot 3:sc= 1.03 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.343 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.53) USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0517) USER MOD Single : A 27 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.827) USER MOD Single : A 28 SER OG : rot 78:sc= 0.0744 USER MOD Single : A 30 HIS : no HD1:sc= -2.92! K(o=-2.9!,f=-2) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 38 THR OG1 : rot -160:sc= -3.33! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 145:sc= 0 (180deg=-0.783) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.69) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0712 USER MOD Single : A 52 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.151) USER MOD Single : A 54 LYS NZ :NH3+ -134:sc=-0.00884 (180deg=-0.169) USER MOD Single : A 55 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.35) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.0405 X(o=0.041,f=0) 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 0.801 6.130 0.980 1.00 0.00 N ATOM 189 CA PRO A 12 0.528 4.754 0.495 1.00 0.00 C ATOM 190 C PRO A 12 -0.124 3.927 1.605 1.00 0.00 C ATOM 191 O PRO A 12 -0.385 4.427 2.684 1.00 0.00 O ATOM 192 CB PRO A 12 1.911 4.208 0.150 1.00 0.00 C ATOM 193 CG PRO A 12 2.860 4.994 0.997 1.00 0.00 C ATOM 194 CD PRO A 12 2.239 6.349 1.220 1.00 0.00 C ATOM 0 HA PRO A 12 -0.154 4.724 -0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.979 3.142 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.132 4.333 -0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.036 4.490 1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.827 5.090 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.424 6.710 2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.648 7.092 0.536 1.00 0.00 H new ATOM 202 N SER A 13 -0.391 2.669 1.352 1.00 0.00 N ATOM 203 CA SER A 13 -1.029 1.817 2.399 1.00 0.00 C ATOM 204 C SER A 13 -0.828 0.335 2.090 1.00 0.00 C ATOM 205 O SER A 13 -1.723 -0.466 2.276 1.00 0.00 O ATOM 206 CB SER A 13 -2.513 2.177 2.354 1.00 0.00 C ATOM 207 OG SER A 13 -2.714 3.420 3.014 1.00 0.00 O ATOM 0 H SER A 13 -0.195 2.198 0.469 1.00 0.00 H new ATOM 0 HA SER A 13 -0.594 1.990 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.852 2.242 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.103 1.397 2.835 1.00 0.00 H new ATOM 0 HG SER A 13 -1.850 3.779 3.305 1.00 0.00 H new ATOM 213 N ALA A 14 0.333 -0.036 1.595 1.00 0.00 N ATOM 214 CA ALA A 14 0.614 -1.470 1.241 1.00 0.00 C ATOM 215 C ALA A 14 -0.191 -1.861 0.002 1.00 0.00 C ATOM 216 O ALA A 14 0.360 -2.018 -1.072 1.00 0.00 O ATOM 217 CB ALA A 14 0.222 -2.335 2.453 1.00 0.00 C ATOM 0 H ALA A 14 1.109 0.603 1.419 1.00 0.00 H new ATOM 0 HA ALA A 14 1.669 -1.618 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.414 -3.384 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.811 -2.036 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.837 -2.198 2.670 1.00 0.00 H new ATOM 223 N PHE A 15 -1.483 -2.022 0.136 1.00 0.00 N ATOM 224 CA PHE A 15 -2.313 -2.408 -1.051 1.00 0.00 C ATOM 225 C PHE A 15 -2.204 -1.343 -2.147 1.00 0.00 C ATOM 226 O PHE A 15 -2.367 -1.632 -3.318 1.00 0.00 O ATOM 227 CB PHE A 15 -3.752 -2.502 -0.531 1.00 0.00 C ATOM 228 CG PHE A 15 -4.670 -2.925 -1.657 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.411 -4.105 -2.365 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.772 -2.133 -1.997 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.256 -4.494 -3.411 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.617 -2.521 -3.045 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.359 -3.702 -3.751 1.00 0.00 C ATOM 0 H PHE A 15 -1.998 -1.904 1.008 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.982 -3.349 -1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.808 -3.220 0.287 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.069 -1.539 -0.132 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.559 -4.715 -2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.971 -1.222 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.057 -5.405 -3.956 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.467 -1.909 -3.308 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.011 -4.002 -4.558 1.00 0.00 H new ATOM 243 N PHE A 16 -1.938 -0.114 -1.777 1.00 0.00 N ATOM 244 CA PHE A 16 -1.827 0.967 -2.802 1.00 0.00 C ATOM 245 C PHE A 16 -0.562 0.778 -3.634 1.00 0.00 C ATOM 246 O PHE A 16 -0.542 1.073 -4.814 1.00 0.00 O ATOM 247 CB PHE A 16 -1.774 2.277 -2.015 1.00 0.00 C ATOM 248 CG PHE A 16 -2.326 3.398 -2.863 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.536 3.967 -3.869 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.626 3.866 -2.644 1.00 0.00 C ATOM 251 CE1 PHE A 16 -2.048 5.005 -4.657 1.00 0.00 C ATOM 252 CE2 PHE A 16 -4.138 4.904 -3.431 1.00 0.00 C ATOM 253 CZ PHE A 16 -3.349 5.474 -4.438 1.00 0.00 C ATOM 0 H PHE A 16 -1.794 0.185 -0.813 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.666 0.957 -3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.352 2.184 -1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.747 2.498 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.532 3.606 -4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.235 3.426 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.439 5.444 -5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.142 5.265 -3.262 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.744 6.275 -5.045 1.00 0.00 H new ATOM 263 N LEU A 17 0.482 0.251 -3.043 1.00 0.00 N ATOM 264 CA LEU A 17 1.728 0.003 -3.826 1.00 0.00 C ATOM 265 C LEU A 17 1.413 -1.085 -4.850 1.00 0.00 C ATOM 266 O LEU A 17 1.323 -0.820 -6.032 1.00 0.00 O ATOM 267 CB LEU A 17 2.765 -0.464 -2.806 1.00 0.00 C ATOM 268 CG LEU A 17 3.239 0.737 -1.986 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.310 0.943 -0.790 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.658 0.483 -1.482 1.00 0.00 C ATOM 0 H LEU A 17 0.524 -0.016 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 17 2.100 0.877 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.333 -1.220 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.610 -0.929 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 17 3.227 1.627 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.651 1.799 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.296 1.126 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.320 0.051 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.995 1.339 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.668 -0.410 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.325 0.338 -2.332 1.00 0.00 H new ATOM 282 N PHE A 18 1.245 -2.306 -4.382 1.00 0.00 N ATOM 283 CA PHE A 18 0.914 -3.469 -5.290 1.00 0.00 C ATOM 284 C PHE A 18 -0.022 -3.021 -6.437 1.00 0.00 C ATOM 285 O PHE A 18 0.288 -3.202 -7.599 1.00 0.00 O ATOM 286 CB PHE A 18 0.217 -4.497 -4.380 1.00 0.00 C ATOM 287 CG PHE A 18 -0.295 -5.664 -5.199 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.584 -6.670 -5.614 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.650 -5.732 -5.542 1.00 0.00 C ATOM 290 CE1 PHE A 18 0.107 -7.746 -6.374 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.128 -6.808 -6.301 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.249 -7.815 -6.718 1.00 0.00 C ATOM 0 H PHE A 18 1.324 -2.552 -3.395 1.00 0.00 H new ATOM 0 HA PHE A 18 1.803 -3.883 -5.767 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.915 -4.854 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.611 -4.023 -3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.630 -6.617 -5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.328 -4.955 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.785 -8.523 -6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.174 -6.861 -6.564 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.616 -8.644 -7.304 1.00 0.00 H new ATOM 302 N CYS A 19 -1.159 -2.445 -6.121 1.00 0.00 N ATOM 303 CA CYS A 19 -2.086 -1.997 -7.205 1.00 0.00 C ATOM 304 C CYS A 19 -1.431 -0.895 -8.044 1.00 0.00 C ATOM 305 O CYS A 19 -1.534 -0.886 -9.256 1.00 0.00 O ATOM 306 CB CYS A 19 -3.328 -1.463 -6.485 1.00 0.00 C ATOM 307 SG CYS A 19 -4.585 -0.994 -7.704 1.00 0.00 S ATOM 0 H CYS A 19 -1.481 -2.268 -5.169 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.336 -2.808 -7.889 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.725 -2.223 -5.812 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.063 -0.602 -5.872 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.638 -0.543 -7.090 1.00 0.00 H new ATOM 313 N SER A 20 -0.770 0.038 -7.406 1.00 0.00 N ATOM 314 CA SER A 20 -0.116 1.151 -8.165 1.00 0.00 C ATOM 315 C SER A 20 0.869 0.600 -9.204 1.00 0.00 C ATOM 316 O SER A 20 1.053 1.186 -10.256 1.00 0.00 O ATOM 317 CB SER A 20 0.623 1.986 -7.117 1.00 0.00 C ATOM 318 OG SER A 20 1.432 2.953 -7.776 1.00 0.00 O ATOM 0 H SER A 20 -0.654 0.078 -6.393 1.00 0.00 H new ATOM 0 HA SER A 20 -0.849 1.744 -8.713 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.091 2.480 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.241 1.342 -6.491 1.00 0.00 H new ATOM 0 HG SER A 20 1.907 3.492 -7.109 1.00 0.00 H new ATOM 324 N GLU A 21 1.509 -0.512 -8.922 1.00 0.00 N ATOM 325 CA GLU A 21 2.484 -1.077 -9.903 1.00 0.00 C ATOM 326 C GLU A 21 1.793 -2.033 -10.886 1.00 0.00 C ATOM 327 O GLU A 21 2.243 -2.195 -12.005 1.00 0.00 O ATOM 328 CB GLU A 21 3.545 -1.806 -9.069 1.00 0.00 C ATOM 329 CG GLU A 21 2.904 -2.932 -8.257 1.00 0.00 C ATOM 330 CD GLU A 21 3.983 -3.919 -7.812 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.680 -4.433 -8.670 1.00 0.00 O ATOM 332 OE2 GLU A 21 4.094 -4.145 -6.618 1.00 0.00 O ATOM 0 H GLU A 21 1.398 -1.047 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 21 2.932 -0.293 -10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.314 -2.214 -9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.038 -1.101 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.391 -2.521 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.152 -3.445 -8.857 1.00 0.00 H new ATOM 339 N HIS A 22 0.707 -2.664 -10.495 1.00 0.00 N ATOM 340 CA HIS A 22 0.004 -3.598 -11.433 1.00 0.00 C ATOM 341 C HIS A 22 -1.218 -2.915 -12.064 1.00 0.00 C ATOM 342 O HIS A 22 -2.103 -3.574 -12.577 1.00 0.00 O ATOM 343 CB HIS A 22 -0.454 -4.769 -10.562 1.00 0.00 C ATOM 344 CG HIS A 22 0.734 -5.560 -10.094 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.535 -6.282 -10.965 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.261 -5.763 -8.844 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.490 -6.882 -10.233 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.370 -6.599 -8.933 1.00 0.00 N ATOM 0 H HIS A 22 0.281 -2.573 -9.573 1.00 0.00 H new ATOM 0 HA HIS A 22 0.655 -3.912 -12.249 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.014 -4.397 -9.704 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.128 -5.412 -11.128 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.874 -5.338 -7.929 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.261 -7.516 -10.646 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.963 -6.925 -8.170 1.00 0.00 H new ATOM 356 N ARG A 23 -1.276 -1.607 -12.026 1.00 0.00 N ATOM 357 CA ARG A 23 -2.441 -0.886 -12.619 1.00 0.00 C ATOM 358 C ARG A 23 -2.298 -0.731 -14.147 1.00 0.00 C ATOM 359 O ARG A 23 -3.258 -0.957 -14.859 1.00 0.00 O ATOM 360 CB ARG A 23 -2.471 0.477 -11.919 1.00 0.00 C ATOM 361 CG ARG A 23 -3.674 1.288 -12.418 1.00 0.00 C ATOM 362 CD ARG A 23 -4.356 1.981 -11.235 1.00 0.00 C ATOM 363 NE ARG A 23 -3.505 3.166 -10.940 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.978 4.369 -11.118 1.00 0.00 C ATOM 365 NH1 ARG A 23 -4.870 4.849 -10.295 1.00 0.00 N ATOM 366 NH2 ARG A 23 -3.560 5.093 -12.121 1.00 0.00 N ATOM 0 H ARG A 23 -0.564 -1.007 -11.609 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.369 -1.437 -12.470 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.535 0.341 -10.839 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.547 1.019 -12.118 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.348 2.029 -13.147 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.382 0.632 -12.925 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.374 2.279 -11.486 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.421 1.317 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.552 3.038 -10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.198 4.284 -9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.239 5.789 -10.435 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.864 4.718 -12.765 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.930 6.033 -12.260 1.00 0.00 H new ATOM 380 N PRO A 24 -1.123 -0.354 -14.628 1.00 0.00 N ATOM 381 CA PRO A 24 -0.947 -0.191 -16.095 1.00 0.00 C ATOM 382 C PRO A 24 -0.858 -1.557 -16.799 1.00 0.00 C ATOM 383 O PRO A 24 -0.802 -1.625 -18.013 1.00 0.00 O ATOM 384 CB PRO A 24 0.366 0.570 -16.224 1.00 0.00 C ATOM 385 CG PRO A 24 1.127 0.258 -14.977 1.00 0.00 C ATOM 386 CD PRO A 24 0.121 -0.047 -13.896 1.00 0.00 C ATOM 0 HA PRO A 24 -1.785 0.329 -16.560 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.917 0.256 -17.110 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.192 1.642 -16.321 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.790 -0.593 -15.135 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.755 1.102 -14.690 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.440 -0.890 -13.283 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.012 0.802 -13.226 1.00 0.00 H new ATOM 394 N LYS A 25 -0.847 -2.641 -16.055 1.00 0.00 N ATOM 395 CA LYS A 25 -0.767 -3.989 -16.692 1.00 0.00 C ATOM 396 C LYS A 25 -2.174 -4.522 -16.978 1.00 0.00 C ATOM 397 O LYS A 25 -2.423 -5.116 -18.010 1.00 0.00 O ATOM 398 CB LYS A 25 -0.056 -4.871 -15.665 1.00 0.00 C ATOM 399 CG LYS A 25 0.308 -6.211 -16.307 1.00 0.00 C ATOM 400 CD LYS A 25 1.642 -6.079 -17.044 1.00 0.00 C ATOM 401 CE LYS A 25 2.145 -7.467 -17.447 1.00 0.00 C ATOM 402 NZ LYS A 25 2.849 -7.985 -16.241 1.00 0.00 N ATOM 0 H LYS A 25 -0.890 -2.646 -15.036 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.237 -3.966 -17.644 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.843 -4.373 -15.303 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.700 -5.033 -14.801 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.378 -6.985 -15.543 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.474 -6.518 -17.001 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.520 -5.454 -17.929 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.375 -5.587 -16.405 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.319 -8.119 -17.733 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.817 -7.410 -18.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.690 -9.010 -16.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.868 -7.798 -16.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.480 -7.509 -15.393 1.00 0.00 H new ATOM 416 N ILE A 26 -3.092 -4.309 -16.069 1.00 0.00 N ATOM 417 CA ILE A 26 -4.491 -4.799 -16.281 1.00 0.00 C ATOM 418 C ILE A 26 -5.186 -3.968 -17.368 1.00 0.00 C ATOM 419 O ILE A 26 -6.132 -4.416 -17.984 1.00 0.00 O ATOM 420 CB ILE A 26 -5.190 -4.625 -14.925 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.458 -5.455 -13.856 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.649 -5.085 -15.027 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.474 -6.943 -14.230 1.00 0.00 C ATOM 0 H ILE A 26 -2.935 -3.817 -15.189 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.519 -5.836 -16.615 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.167 -3.572 -14.643 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.429 -5.109 -13.759 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.935 -5.312 -12.886 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.139 -4.959 -14.061 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.167 -4.488 -15.777 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.680 -6.136 -15.315 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.952 -7.516 -13.464 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.505 -7.289 -14.303 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.976 -7.082 -15.190 1.00 0.00 H new ATOM 435 N LYS A 27 -4.713 -2.772 -17.620 1.00 0.00 N ATOM 436 CA LYS A 27 -5.334 -1.921 -18.682 1.00 0.00 C ATOM 437 C LYS A 27 -4.872 -2.376 -20.075 1.00 0.00 C ATOM 438 O LYS A 27 -5.500 -2.069 -21.071 1.00 0.00 O ATOM 439 CB LYS A 27 -4.842 -0.502 -18.394 1.00 0.00 C ATOM 440 CG LYS A 27 -5.672 0.109 -17.264 1.00 0.00 C ATOM 441 CD LYS A 27 -5.623 1.634 -17.362 1.00 0.00 C ATOM 442 CE LYS A 27 -6.440 2.245 -16.222 1.00 0.00 C ATOM 443 NZ LYS A 27 -5.499 2.315 -15.070 1.00 0.00 N ATOM 0 H LYS A 27 -3.922 -2.348 -17.135 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.422 -1.987 -18.673 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.788 -0.521 -18.116 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.924 0.111 -19.291 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.704 -0.237 -17.328 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.286 -0.217 -16.298 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.591 1.979 -17.309 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.020 1.960 -18.323 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.812 3.234 -16.489 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.309 1.631 -15.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.913 1.822 -14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.599 1.862 -15.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.327 3.310 -14.823 1.00 0.00 H new ATOM 457 N SER A 28 -3.786 -3.112 -20.153 1.00 0.00 N ATOM 458 CA SER A 28 -3.293 -3.589 -21.484 1.00 0.00 C ATOM 459 C SER A 28 -4.191 -4.721 -21.993 1.00 0.00 C ATOM 460 O SER A 28 -4.665 -4.691 -23.113 1.00 0.00 O ATOM 461 CB SER A 28 -1.875 -4.101 -21.228 1.00 0.00 C ATOM 462 OG SER A 28 -1.053 -3.018 -20.812 1.00 0.00 O ATOM 0 H SER A 28 -3.222 -3.401 -19.354 1.00 0.00 H new ATOM 0 HA SER A 28 -3.305 -2.802 -22.238 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.889 -4.877 -20.463 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.470 -4.553 -22.133 1.00 0.00 H new ATOM 0 HG SER A 28 -1.231 -2.815 -19.870 1.00 0.00 H new ATOM 468 N GLU A 29 -4.433 -5.709 -21.170 1.00 0.00 N ATOM 469 CA GLU A 29 -5.312 -6.843 -21.588 1.00 0.00 C ATOM 470 C GLU A 29 -6.796 -6.485 -21.392 1.00 0.00 C ATOM 471 O GLU A 29 -7.669 -7.299 -21.628 1.00 0.00 O ATOM 472 CB GLU A 29 -4.919 -8.004 -20.673 1.00 0.00 C ATOM 473 CG GLU A 29 -3.567 -8.569 -21.117 1.00 0.00 C ATOM 474 CD GLU A 29 -3.763 -9.454 -22.349 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.783 -8.916 -23.443 1.00 0.00 O ATOM 476 OE2 GLU A 29 -3.890 -10.656 -22.177 1.00 0.00 O ATOM 0 H GLU A 29 -4.059 -5.780 -20.224 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.187 -7.087 -22.643 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.861 -7.663 -19.639 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.680 -8.783 -20.709 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.879 -7.756 -21.346 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.119 -9.147 -20.309 1.00 0.00 H new ATOM 483 N HIS A 30 -7.088 -5.273 -20.978 1.00 0.00 N ATOM 484 CA HIS A 30 -8.510 -4.857 -20.784 1.00 0.00 C ATOM 485 C HIS A 30 -8.635 -3.348 -21.033 1.00 0.00 C ATOM 486 O HIS A 30 -8.557 -2.565 -20.109 1.00 0.00 O ATOM 487 CB HIS A 30 -8.864 -5.184 -19.328 1.00 0.00 C ATOM 488 CG HIS A 30 -8.675 -6.651 -19.061 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.718 -7.560 -19.147 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.574 -7.378 -18.690 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.226 -8.772 -18.832 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.922 -8.717 -18.545 1.00 0.00 N ATOM 0 H HIS A 30 -6.397 -4.553 -20.766 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.180 -5.372 -21.473 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.236 -4.601 -18.654 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.897 -4.901 -19.126 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.585 -6.972 -18.534 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.813 -9.678 -18.813 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.313 -9.490 -18.277 1.00 0.00 H new ATOM 500 N PRO A 31 -8.823 -2.980 -22.277 1.00 0.00 N ATOM 501 CA PRO A 31 -8.961 -1.542 -22.623 1.00 0.00 C ATOM 502 C PRO A 31 -10.269 -0.986 -22.052 1.00 0.00 C ATOM 503 O PRO A 31 -11.335 -1.527 -22.284 1.00 0.00 O ATOM 504 CB PRO A 31 -8.979 -1.541 -24.151 1.00 0.00 C ATOM 505 CG PRO A 31 -9.450 -2.909 -24.525 1.00 0.00 C ATOM 506 CD PRO A 31 -8.927 -3.840 -23.466 1.00 0.00 C ATOM 0 HA PRO A 31 -8.164 -0.919 -22.217 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.647 -0.772 -24.539 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.989 -1.338 -24.559 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.538 -2.946 -24.572 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.078 -3.192 -25.510 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.604 -4.678 -23.298 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.961 -4.261 -23.743 1.00 0.00 H new ATOM 514 N GLY A 32 -10.191 0.084 -21.301 1.00 0.00 N ATOM 515 CA GLY A 32 -11.426 0.674 -20.702 1.00 0.00 C ATOM 516 C GLY A 32 -11.645 0.115 -19.288 1.00 0.00 C ATOM 517 O GLY A 32 -12.422 0.649 -18.520 1.00 0.00 O ATOM 0 H GLY A 32 -9.325 0.574 -21.077 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.338 1.760 -20.663 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.288 0.447 -21.329 1.00 0.00 H new ATOM 521 N LEU A 33 -10.971 -0.958 -18.938 1.00 0.00 N ATOM 522 CA LEU A 33 -11.142 -1.562 -17.574 1.00 0.00 C ATOM 523 C LEU A 33 -10.957 -0.504 -16.477 1.00 0.00 C ATOM 524 O LEU A 33 -9.853 -0.098 -16.171 1.00 0.00 O ATOM 525 CB LEU A 33 -10.043 -2.632 -17.482 1.00 0.00 C ATOM 526 CG LEU A 33 -10.416 -3.723 -16.469 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.550 -3.112 -15.076 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.739 -4.386 -16.869 1.00 0.00 C ATOM 0 H LEU A 33 -10.307 -1.443 -19.541 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.140 -1.977 -17.433 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.885 -3.081 -18.463 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.102 -2.167 -17.190 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.629 -4.477 -16.459 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.815 -3.891 -14.361 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.602 -2.659 -14.785 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.329 -2.349 -15.087 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.993 -5.158 -16.143 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.529 -3.636 -16.893 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.636 -4.836 -17.856 1.00 0.00 H new ATOM 540 N SER A 34 -12.040 -0.062 -15.889 1.00 0.00 N ATOM 541 CA SER A 34 -11.952 0.970 -14.807 1.00 0.00 C ATOM 542 C SER A 34 -11.068 0.465 -13.661 1.00 0.00 C ATOM 543 O SER A 34 -10.399 -0.543 -13.784 1.00 0.00 O ATOM 544 CB SER A 34 -13.388 1.173 -14.325 1.00 0.00 C ATOM 545 OG SER A 34 -14.023 -0.093 -14.194 1.00 0.00 O ATOM 0 H SER A 34 -12.986 -0.372 -16.112 1.00 0.00 H new ATOM 0 HA SER A 34 -11.509 1.900 -15.165 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.392 1.696 -13.368 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.936 1.796 -15.031 1.00 0.00 H new ATOM 0 HG SER A 34 -14.944 0.033 -13.883 1.00 0.00 H new ATOM 551 N ILE A 35 -11.061 1.160 -12.552 1.00 0.00 N ATOM 552 CA ILE A 35 -10.217 0.727 -11.394 1.00 0.00 C ATOM 553 C ILE A 35 -11.034 -0.144 -10.427 1.00 0.00 C ATOM 554 O ILE A 35 -10.657 -0.332 -9.284 1.00 0.00 O ATOM 555 CB ILE A 35 -9.785 2.028 -10.707 1.00 0.00 C ATOM 556 CG1 ILE A 35 -9.046 2.937 -11.707 1.00 0.00 C ATOM 557 CG2 ILE A 35 -8.859 1.707 -9.529 1.00 0.00 C ATOM 558 CD1 ILE A 35 -7.805 2.227 -12.261 1.00 0.00 C ATOM 0 H ILE A 35 -11.603 2.010 -12.397 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.364 0.128 -11.713 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.673 2.546 -10.343 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.714 3.206 -12.525 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.753 3.865 -11.216 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.554 2.634 -9.043 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.387 1.078 -8.812 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.977 1.181 -9.893 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.295 2.883 -12.966 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.130 1.981 -11.441 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.106 1.312 -12.770 1.00 0.00 H new ATOM 570 N GLY A 36 -12.145 -0.680 -10.872 1.00 0.00 N ATOM 571 CA GLY A 36 -12.979 -1.536 -9.977 1.00 0.00 C ATOM 572 C GLY A 36 -12.708 -3.009 -10.281 1.00 0.00 C ATOM 573 O GLY A 36 -12.337 -3.774 -9.409 1.00 0.00 O ATOM 0 H GLY A 36 -12.509 -0.560 -11.817 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.749 -1.321 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.036 -1.312 -10.123 1.00 0.00 H new ATOM 577 N ASP A 37 -12.895 -3.414 -11.511 1.00 0.00 N ATOM 578 CA ASP A 37 -12.656 -4.843 -11.881 1.00 0.00 C ATOM 579 C ASP A 37 -11.192 -5.223 -11.634 1.00 0.00 C ATOM 580 O ASP A 37 -10.904 -6.286 -11.115 1.00 0.00 O ATOM 581 CB ASP A 37 -12.990 -4.938 -13.370 1.00 0.00 C ATOM 582 CG ASP A 37 -14.499 -4.791 -13.567 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.194 -5.785 -13.431 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.936 -3.688 -13.849 1.00 0.00 O ATOM 0 H ASP A 37 -13.204 -2.816 -12.277 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.264 -5.524 -11.285 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.463 -4.159 -13.922 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.652 -5.895 -13.769 1.00 0.00 H new ATOM 589 N THR A 38 -10.266 -4.369 -12.001 1.00 0.00 N ATOM 590 CA THR A 38 -8.823 -4.694 -11.783 1.00 0.00 C ATOM 591 C THR A 38 -8.484 -4.588 -10.292 1.00 0.00 C ATOM 592 O THR A 38 -7.612 -5.275 -9.798 1.00 0.00 O ATOM 593 CB THR A 38 -8.031 -3.674 -12.615 1.00 0.00 C ATOM 594 OG1 THR A 38 -6.643 -3.943 -12.488 1.00 0.00 O ATOM 595 CG2 THR A 38 -8.310 -2.249 -12.133 1.00 0.00 C ATOM 0 H THR A 38 -10.447 -3.466 -12.440 1.00 0.00 H new ATOM 0 HA THR A 38 -8.579 -5.711 -12.088 1.00 0.00 H new ATOM 0 HB THR A 38 -8.339 -3.760 -13.657 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.131 -3.145 -12.735 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.739 -1.543 -12.736 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.374 -2.033 -12.232 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.016 -2.154 -11.088 1.00 0.00 H new ATOM 603 N ALA A 39 -9.189 -3.750 -9.573 1.00 0.00 N ATOM 604 CA ALA A 39 -8.934 -3.614 -8.106 1.00 0.00 C ATOM 605 C ALA A 39 -9.449 -4.863 -7.385 1.00 0.00 C ATOM 606 O ALA A 39 -8.924 -5.266 -6.365 1.00 0.00 O ATOM 607 CB ALA A 39 -9.722 -2.377 -7.671 1.00 0.00 C ATOM 0 H ALA A 39 -9.931 -3.154 -9.939 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.874 -3.512 -7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.582 -2.214 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.365 -1.506 -8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.781 -2.528 -7.880 1.00 0.00 H new ATOM 613 N LYS A 40 -10.460 -5.487 -7.935 1.00 0.00 N ATOM 614 CA LYS A 40 -11.005 -6.727 -7.316 1.00 0.00 C ATOM 615 C LYS A 40 -10.046 -7.878 -7.611 1.00 0.00 C ATOM 616 O LYS A 40 -9.749 -8.692 -6.758 1.00 0.00 O ATOM 617 CB LYS A 40 -12.358 -6.960 -7.993 1.00 0.00 C ATOM 618 CG LYS A 40 -13.441 -6.175 -7.248 1.00 0.00 C ATOM 619 CD LYS A 40 -14.810 -6.792 -7.542 1.00 0.00 C ATOM 620 CE LYS A 40 -15.804 -6.368 -6.458 1.00 0.00 C ATOM 621 NZ LYS A 40 -16.917 -7.354 -6.551 1.00 0.00 N ATOM 0 H LYS A 40 -10.931 -5.188 -8.789 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.118 -6.652 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.315 -6.643 -9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.599 -8.023 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.245 -6.192 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.427 -5.130 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.164 -6.469 -8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.732 -7.879 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.343 -6.385 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.161 -5.352 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.640 -7.130 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.341 -7.310 -7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.548 -8.311 -6.381 1.00 0.00 H new ATOM 635 N LYS A 41 -9.549 -7.931 -8.821 1.00 0.00 N ATOM 636 CA LYS A 41 -8.588 -9.012 -9.193 1.00 0.00 C ATOM 637 C LYS A 41 -7.276 -8.817 -8.430 1.00 0.00 C ATOM 638 O LYS A 41 -6.783 -9.719 -7.780 1.00 0.00 O ATOM 639 CB LYS A 41 -8.365 -8.854 -10.699 1.00 0.00 C ATOM 640 CG LYS A 41 -9.498 -9.546 -11.459 1.00 0.00 C ATOM 641 CD LYS A 41 -9.533 -9.035 -12.901 1.00 0.00 C ATOM 642 CE LYS A 41 -10.240 -10.062 -13.790 1.00 0.00 C ATOM 643 NZ LYS A 41 -10.471 -9.358 -15.082 1.00 0.00 N ATOM 0 H LYS A 41 -9.768 -7.271 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.962 -10.006 -8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.329 -7.797 -10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.406 -9.287 -10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.351 -10.626 -11.448 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.452 -9.349 -10.969 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.054 -8.079 -12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.519 -8.863 -13.262 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.627 -10.952 -13.930 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.180 -10.389 -13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.953 -9.998 -15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.063 -8.519 -14.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.558 -9.065 -15.485 1.00 0.00 H new ATOM 657 N LEU A 42 -6.708 -7.637 -8.506 1.00 0.00 N ATOM 658 CA LEU A 42 -5.419 -7.354 -7.788 1.00 0.00 C ATOM 659 C LEU A 42 -5.514 -7.754 -6.312 1.00 0.00 C ATOM 660 O LEU A 42 -4.648 -8.425 -5.785 1.00 0.00 O ATOM 661 CB LEU A 42 -5.232 -5.841 -7.903 1.00 0.00 C ATOM 662 CG LEU A 42 -4.264 -5.515 -9.040 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.841 -5.981 -10.377 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.054 -4.008 -9.087 1.00 0.00 C ATOM 0 H LEU A 42 -7.083 -6.851 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.589 -7.916 -8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.194 -5.361 -8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.849 -5.442 -6.964 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.318 -6.027 -8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.141 -5.743 -11.178 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.005 -7.058 -10.347 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.789 -5.475 -10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.365 -3.762 -9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.009 -3.513 -9.261 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.638 -3.669 -8.138 1.00 0.00 H new ATOM 676 N GLY A 43 -6.565 -7.343 -5.644 1.00 0.00 N ATOM 677 CA GLY A 43 -6.731 -7.694 -4.197 1.00 0.00 C ATOM 678 C GLY A 43 -6.645 -9.213 -4.024 1.00 0.00 C ATOM 679 O GLY A 43 -6.226 -9.706 -2.993 1.00 0.00 O ATOM 0 H GLY A 43 -7.317 -6.778 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.958 -7.206 -3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.691 -7.330 -3.832 1.00 0.00 H new ATOM 683 N GLU A 44 -7.013 -9.954 -5.040 1.00 0.00 N ATOM 684 CA GLU A 44 -6.927 -11.440 -4.954 1.00 0.00 C ATOM 685 C GLU A 44 -5.458 -11.851 -5.042 1.00 0.00 C ATOM 686 O GLU A 44 -5.013 -12.756 -4.361 1.00 0.00 O ATOM 687 CB GLU A 44 -7.709 -11.965 -6.160 1.00 0.00 C ATOM 688 CG GLU A 44 -8.043 -13.443 -5.949 1.00 0.00 C ATOM 689 CD GLU A 44 -9.195 -13.568 -4.950 1.00 0.00 C ATOM 690 OE1 GLU A 44 -10.304 -13.206 -5.305 1.00 0.00 O ATOM 691 OE2 GLU A 44 -8.949 -14.025 -3.846 1.00 0.00 O ATOM 0 H GLU A 44 -7.369 -9.591 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.332 -11.836 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.625 -11.389 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.122 -11.840 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.319 -13.904 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.167 -13.976 -5.579 1.00 0.00 H new ATOM 698 N MET A 45 -4.700 -11.172 -5.868 1.00 0.00 N ATOM 699 CA MET A 45 -3.249 -11.493 -5.999 1.00 0.00 C ATOM 700 C MET A 45 -2.491 -10.890 -4.815 1.00 0.00 C ATOM 701 O MET A 45 -1.572 -11.487 -4.286 1.00 0.00 O ATOM 702 CB MET A 45 -2.812 -10.840 -7.312 1.00 0.00 C ATOM 703 CG MET A 45 -3.163 -11.762 -8.482 1.00 0.00 C ATOM 704 SD MET A 45 -2.597 -11.013 -10.030 1.00 0.00 S ATOM 705 CE MET A 45 -4.104 -10.083 -10.396 1.00 0.00 C ATOM 0 H MET A 45 -5.027 -10.407 -6.458 1.00 0.00 H new ATOM 0 HA MET A 45 -3.051 -12.565 -6.003 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.307 -9.876 -7.433 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.739 -10.648 -7.296 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.695 -12.737 -8.344 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.240 -11.928 -8.518 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.842 -9.139 -10.873 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.737 -10.665 -11.066 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.643 -9.884 -9.470 1.00 0.00 H new ATOM 715 N TRP A 46 -2.886 -9.715 -4.382 1.00 0.00 N ATOM 716 CA TRP A 46 -2.210 -9.069 -3.211 1.00 0.00 C ATOM 717 C TRP A 46 -2.305 -10.003 -1.997 1.00 0.00 C ATOM 718 O TRP A 46 -1.309 -10.340 -1.383 1.00 0.00 O ATOM 719 CB TRP A 46 -2.979 -7.758 -2.978 1.00 0.00 C ATOM 720 CG TRP A 46 -2.471 -7.078 -1.746 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.219 -6.736 -0.672 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.113 -6.663 -1.449 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.399 -6.133 0.267 1.00 0.00 N ATOM 724 CE2 TRP A 46 -1.090 -6.065 -0.169 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.091 -6.747 -2.165 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.090 -5.568 0.383 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.281 -6.248 -1.616 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.281 -5.661 -0.345 1.00 0.00 C ATOM 0 H TRP A 46 -3.649 -9.175 -4.790 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.151 -8.873 -3.379 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.863 -7.101 -3.840 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.044 -7.965 -2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.280 -6.905 -0.565 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.722 -5.782 1.169 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.101 -7.199 -3.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.085 -5.115 1.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.202 -6.317 -2.176 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.201 -5.280 0.074 1.00 0.00 H new ATOM 739 N SER A 47 -3.496 -10.434 -1.663 1.00 0.00 N ATOM 740 CA SER A 47 -3.666 -11.364 -0.505 1.00 0.00 C ATOM 741 C SER A 47 -2.974 -12.706 -0.789 1.00 0.00 C ATOM 742 O SER A 47 -2.780 -13.509 0.104 1.00 0.00 O ATOM 743 CB SER A 47 -5.176 -11.564 -0.366 1.00 0.00 C ATOM 744 OG SER A 47 -5.669 -10.711 0.659 1.00 0.00 O ATOM 0 H SER A 47 -4.359 -10.181 -2.144 1.00 0.00 H new ATOM 0 HA SER A 47 -3.222 -10.963 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.673 -11.342 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.396 -12.604 -0.127 1.00 0.00 H new ATOM 0 HG SER A 47 -6.637 -10.835 0.750 1.00 0.00 H new ATOM 750 N GLU A 48 -2.583 -12.950 -2.020 1.00 0.00 N ATOM 751 CA GLU A 48 -1.890 -14.223 -2.359 1.00 0.00 C ATOM 752 C GLU A 48 -0.379 -13.993 -2.477 1.00 0.00 C ATOM 753 O GLU A 48 0.388 -14.936 -2.552 1.00 0.00 O ATOM 754 CB GLU A 48 -2.479 -14.635 -3.707 1.00 0.00 C ATOM 755 CG GLU A 48 -3.773 -15.418 -3.482 1.00 0.00 C ATOM 756 CD GLU A 48 -4.108 -16.224 -4.739 1.00 0.00 C ATOM 757 OE1 GLU A 48 -3.476 -17.246 -4.950 1.00 0.00 O ATOM 758 OE2 GLU A 48 -4.991 -15.805 -5.469 1.00 0.00 O ATOM 0 H GLU A 48 -2.718 -12.313 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.030 -14.989 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.677 -13.752 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.763 -15.246 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.662 -16.086 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.588 -14.734 -3.248 1.00 0.00 H new ATOM 765 N GLN A 49 0.059 -12.754 -2.484 1.00 0.00 N ATOM 766 CA GLN A 49 1.519 -12.488 -2.582 1.00 0.00 C ATOM 767 C GLN A 49 2.191 -12.910 -1.279 1.00 0.00 C ATOM 768 O GLN A 49 1.628 -12.773 -0.210 1.00 0.00 O ATOM 769 CB GLN A 49 1.654 -10.970 -2.804 1.00 0.00 C ATOM 770 CG GLN A 49 2.391 -10.694 -4.119 1.00 0.00 C ATOM 771 CD GLN A 49 1.608 -11.287 -5.294 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.023 -12.266 -5.882 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.488 -10.731 -5.663 1.00 0.00 N ATOM 0 H GLN A 49 -0.533 -11.925 -2.426 1.00 0.00 H new ATOM 0 HA GLN A 49 1.993 -13.042 -3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.667 -10.509 -2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.196 -10.520 -1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.513 -9.620 -4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.391 -11.127 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.140 -9.909 -5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.040 -11.118 -6.445 1.00 0.00 H new ATOM 782 N SER A 50 3.388 -13.410 -1.362 1.00 0.00 N ATOM 783 CA SER A 50 4.116 -13.827 -0.131 1.00 0.00 C ATOM 784 C SER A 50 5.040 -12.672 0.310 1.00 0.00 C ATOM 785 O SER A 50 4.559 -11.653 0.771 1.00 0.00 O ATOM 786 CB SER A 50 4.888 -15.088 -0.540 1.00 0.00 C ATOM 787 OG SER A 50 5.815 -14.759 -1.566 1.00 0.00 O ATOM 0 H SER A 50 3.899 -13.550 -2.234 1.00 0.00 H new ATOM 0 HA SER A 50 3.470 -14.044 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.413 -15.502 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.196 -15.854 -0.891 1.00 0.00 H new ATOM 0 HG SER A 50 6.311 -15.562 -1.828 1.00 0.00 H new ATOM 793 N ALA A 51 6.344 -12.793 0.166 1.00 0.00 N ATOM 794 CA ALA A 51 7.248 -11.676 0.567 1.00 0.00 C ATOM 795 C ALA A 51 7.787 -10.956 -0.678 1.00 0.00 C ATOM 796 O ALA A 51 8.197 -9.812 -0.612 1.00 0.00 O ATOM 797 CB ALA A 51 8.385 -12.342 1.342 1.00 0.00 C ATOM 0 H ALA A 51 6.813 -13.616 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 51 6.735 -10.925 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.094 -11.583 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.979 -12.861 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.894 -13.058 0.697 1.00 0.00 H new ATOM 803 N LYS A 52 7.796 -11.621 -1.810 1.00 0.00 N ATOM 804 CA LYS A 52 8.315 -10.983 -3.062 1.00 0.00 C ATOM 805 C LYS A 52 7.562 -9.683 -3.365 1.00 0.00 C ATOM 806 O LYS A 52 8.164 -8.649 -3.587 1.00 0.00 O ATOM 807 CB LYS A 52 8.069 -12.012 -4.169 1.00 0.00 C ATOM 808 CG LYS A 52 9.055 -11.776 -5.315 1.00 0.00 C ATOM 809 CD LYS A 52 10.445 -12.265 -4.902 1.00 0.00 C ATOM 810 CE LYS A 52 11.322 -12.422 -6.147 1.00 0.00 C ATOM 811 NZ LYS A 52 11.634 -11.031 -6.576 1.00 0.00 N ATOM 0 H LYS A 52 7.466 -12.580 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 52 9.369 -10.719 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.188 -13.021 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.045 -11.931 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.723 -12.304 -6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.091 -10.716 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.901 -11.557 -4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.366 -13.217 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.231 -12.979 -5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.799 -12.969 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.261 -10.871 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.195 -10.358 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.665 -10.891 -6.578 1.00 0.00 H new ATOM 825 N ASP A 53 6.252 -9.727 -3.374 1.00 0.00 N ATOM 826 CA ASP A 53 5.462 -8.491 -3.660 1.00 0.00 C ATOM 827 C ASP A 53 4.479 -8.214 -2.520 1.00 0.00 C ATOM 828 O ASP A 53 3.276 -8.213 -2.700 1.00 0.00 O ATOM 829 CB ASP A 53 4.710 -8.779 -4.954 1.00 0.00 C ATOM 830 CG ASP A 53 5.525 -8.273 -6.146 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.591 -8.818 -6.384 1.00 0.00 O ATOM 832 OD2 ASP A 53 5.071 -7.350 -6.800 1.00 0.00 O ATOM 0 H ASP A 53 5.697 -10.564 -3.196 1.00 0.00 H new ATOM 0 HA ASP A 53 6.101 -7.612 -3.752 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.531 -9.850 -5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.734 -8.293 -4.935 1.00 0.00 H new ATOM 837 N LYS A 54 5.001 -7.973 -1.349 1.00 0.00 N ATOM 838 CA LYS A 54 4.136 -7.681 -0.174 1.00 0.00 C ATOM 839 C LYS A 54 4.970 -7.222 1.022 1.00 0.00 C ATOM 840 O LYS A 54 4.521 -6.424 1.815 1.00 0.00 O ATOM 841 CB LYS A 54 3.455 -9.003 0.146 1.00 0.00 C ATOM 842 CG LYS A 54 2.007 -8.742 0.568 1.00 0.00 C ATOM 843 CD LYS A 54 1.446 -9.964 1.288 1.00 0.00 C ATOM 844 CE LYS A 54 1.827 -9.906 2.769 1.00 0.00 C ATOM 845 NZ LYS A 54 0.835 -8.982 3.386 1.00 0.00 N ATOM 0 H LYS A 54 6.002 -7.966 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 54 3.426 -6.881 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.479 -9.657 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.991 -9.516 0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.961 -7.871 1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.399 -8.515 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.362 -9.995 1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.837 -10.876 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.784 -10.894 3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.844 -9.538 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.328 -8.307 4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.332 -8.463 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.151 -9.530 3.946 1.00 0.00 H new ATOM 859 N GLN A 55 6.172 -7.722 1.156 1.00 0.00 N ATOM 860 CA GLN A 55 7.039 -7.320 2.307 1.00 0.00 C ATOM 861 C GLN A 55 7.652 -5.926 2.076 1.00 0.00 C ATOM 862 O GLN A 55 7.530 -5.063 2.922 1.00 0.00 O ATOM 863 CB GLN A 55 8.139 -8.381 2.372 1.00 0.00 C ATOM 864 CG GLN A 55 7.736 -9.474 3.364 1.00 0.00 C ATOM 865 CD GLN A 55 7.697 -8.892 4.778 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.727 -8.659 5.380 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.544 -8.649 5.339 1.00 0.00 N ATOM 0 H GLN A 55 6.593 -8.395 0.515 1.00 0.00 H new ATOM 0 HA GLN A 55 6.470 -7.259 3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.301 -8.813 1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.081 -7.926 2.679 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.759 -9.878 3.099 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.446 -10.300 3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.680 -8.845 4.834 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.507 -8.264 6.283 1.00 0.00 H new ATOM 876 N PRO A 56 8.301 -5.737 0.943 1.00 0.00 N ATOM 877 CA PRO A 56 8.923 -4.420 0.656 1.00 0.00 C ATOM 878 C PRO A 56 7.857 -3.368 0.321 1.00 0.00 C ATOM 879 O PRO A 56 8.149 -2.188 0.247 1.00 0.00 O ATOM 880 CB PRO A 56 9.812 -4.695 -0.554 1.00 0.00 C ATOM 881 CG PRO A 56 9.200 -5.881 -1.225 1.00 0.00 C ATOM 882 CD PRO A 56 8.518 -6.695 -0.157 1.00 0.00 C ATOM 0 HA PRO A 56 9.476 -4.023 1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.843 -3.836 -1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.839 -4.900 -0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.484 -5.566 -1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.963 -6.473 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.576 -7.112 -0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.137 -7.534 0.161 1.00 0.00 H new ATOM 890 N TYR A 57 6.625 -3.779 0.123 1.00 0.00 N ATOM 891 CA TYR A 57 5.551 -2.795 -0.201 1.00 0.00 C ATOM 892 C TYR A 57 4.835 -2.355 1.079 1.00 0.00 C ATOM 893 O TYR A 57 4.390 -1.230 1.193 1.00 0.00 O ATOM 894 CB TYR A 57 4.593 -3.544 -1.127 1.00 0.00 C ATOM 895 CG TYR A 57 5.202 -3.646 -2.506 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.599 -2.487 -3.184 1.00 0.00 C ATOM 897 CD2 TYR A 57 5.371 -4.899 -3.108 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.164 -2.580 -4.460 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.936 -4.992 -4.386 1.00 0.00 C ATOM 900 CZ TYR A 57 6.332 -3.832 -5.062 1.00 0.00 C ATOM 901 OH TYR A 57 6.890 -3.924 -6.321 1.00 0.00 O ATOM 0 H TYR A 57 6.321 -4.752 0.172 1.00 0.00 H new ATOM 0 HA TYR A 57 5.943 -1.892 -0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.392 -4.540 -0.732 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.637 -3.023 -1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.469 -1.520 -2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.065 -5.794 -2.586 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.471 -1.685 -4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.066 -5.959 -4.850 1.00 0.00 H new ATOM 0 HH TYR A 57 6.935 -4.865 -6.591 1.00 0.00 H new ATOM 911 N GLU A 58 4.727 -3.237 2.043 1.00 0.00 N ATOM 912 CA GLU A 58 4.042 -2.874 3.321 1.00 0.00 C ATOM 913 C GLU A 58 5.002 -2.103 4.236 1.00 0.00 C ATOM 914 O GLU A 58 4.593 -1.250 5.001 1.00 0.00 O ATOM 915 CB GLU A 58 3.612 -4.207 3.955 1.00 0.00 C ATOM 916 CG GLU A 58 4.838 -5.048 4.342 1.00 0.00 C ATOM 917 CD GLU A 58 4.379 -6.307 5.079 1.00 0.00 C ATOM 918 OE1 GLU A 58 3.673 -7.099 4.475 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.740 -6.459 6.233 1.00 0.00 O ATOM 0 H GLU A 58 5.084 -4.192 1.999 1.00 0.00 H new ATOM 0 HA GLU A 58 3.182 -2.225 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.004 -4.015 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.990 -4.764 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.402 -5.321 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.507 -4.466 4.976 1.00 0.00 H new ATOM 926 N GLN A 59 6.276 -2.394 4.152 1.00 0.00 N ATOM 927 CA GLN A 59 7.271 -1.675 5.005 1.00 0.00 C ATOM 928 C GLN A 59 7.410 -0.230 4.524 1.00 0.00 C ATOM 929 O GLN A 59 7.049 0.703 5.214 1.00 0.00 O ATOM 930 CB GLN A 59 8.588 -2.433 4.817 1.00 0.00 C ATOM 931 CG GLN A 59 8.535 -3.748 5.598 1.00 0.00 C ATOM 932 CD GLN A 59 9.889 -4.454 5.502 1.00 0.00 C ATOM 933 OE1 GLN A 59 10.841 -4.057 6.144 1.00 0.00 O ATOM 934 NE2 GLN A 59 10.015 -5.493 4.723 1.00 0.00 N ATOM 0 H GLN A 59 6.670 -3.099 3.529 1.00 0.00 H new ATOM 0 HA GLN A 59 6.974 -1.643 6.053 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.757 -2.633 3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.423 -1.825 5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.288 -3.554 6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.749 -4.389 5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.216 -5.826 4.184 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.913 -5.972 4.653 1.00 0.00 H new ATOM 943 N LYS A 60 7.939 -0.041 3.339 1.00 0.00 N ATOM 944 CA LYS A 60 8.122 1.343 2.785 1.00 0.00 C ATOM 945 C LYS A 60 6.839 2.184 2.900 1.00 0.00 C ATOM 946 O LYS A 60 6.895 3.399 2.895 1.00 0.00 O ATOM 947 CB LYS A 60 8.482 1.131 1.311 1.00 0.00 C ATOM 948 CG LYS A 60 8.825 2.477 0.662 1.00 0.00 C ATOM 949 CD LYS A 60 8.247 2.527 -0.754 1.00 0.00 C ATOM 950 CE LYS A 60 8.729 3.798 -1.459 1.00 0.00 C ATOM 951 NZ LYS A 60 9.946 3.381 -2.210 1.00 0.00 N ATOM 0 H LYS A 60 8.255 -0.791 2.725 1.00 0.00 H new ATOM 0 HA LYS A 60 8.888 1.888 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.329 0.450 1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.647 0.666 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.420 3.294 1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.906 2.611 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.558 1.647 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.158 2.511 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.966 4.191 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.958 4.585 -0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.336 4.199 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.657 3.017 -1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.696 2.635 -2.890 1.00 0.00 H new ATOM 965 N ALA A 61 5.691 1.559 3.017 1.00 0.00 N ATOM 966 CA ALA A 61 4.423 2.338 3.145 1.00 0.00 C ATOM 967 C ALA A 61 4.081 2.534 4.623 1.00 0.00 C ATOM 968 O ALA A 61 3.593 3.575 5.024 1.00 0.00 O ATOM 969 CB ALA A 61 3.355 1.489 2.457 1.00 0.00 C ATOM 0 H ALA A 61 5.580 0.545 3.029 1.00 0.00 H new ATOM 0 HA ALA A 61 4.500 3.328 2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.393 1.999 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.627 1.338 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.282 0.523 2.956 1.00 0.00 H new ATOM 975 N ALA A 62 4.339 1.539 5.436 1.00 0.00 N ATOM 976 CA ALA A 62 4.037 1.662 6.894 1.00 0.00 C ATOM 977 C ALA A 62 4.914 2.752 7.517 1.00 0.00 C ATOM 978 O ALA A 62 4.488 3.477 8.396 1.00 0.00 O ATOM 979 CB ALA A 62 4.374 0.295 7.494 1.00 0.00 C ATOM 0 H ALA A 62 4.746 0.648 5.152 1.00 0.00 H new ATOM 0 HA ALA A 62 2.999 1.937 7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.177 0.309 8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.759 -0.471 7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.427 0.072 7.322 1.00 0.00 H new ATOM 985 N LYS A 63 6.135 2.870 7.060 1.00 0.00 N ATOM 986 CA LYS A 63 7.051 3.914 7.615 1.00 0.00 C ATOM 987 C LYS A 63 6.703 5.284 7.026 1.00 0.00 C ATOM 988 O LYS A 63 6.361 6.207 7.740 1.00 0.00 O ATOM 989 CB LYS A 63 8.454 3.484 7.183 1.00 0.00 C ATOM 990 CG LYS A 63 9.498 4.269 7.980 1.00 0.00 C ATOM 991 CD LYS A 63 10.872 4.097 7.331 1.00 0.00 C ATOM 992 CE LYS A 63 11.436 2.718 7.681 1.00 0.00 C ATOM 993 NZ LYS A 63 12.763 2.663 7.009 1.00 0.00 N ATOM 0 H LYS A 63 6.538 2.288 6.326 1.00 0.00 H new ATOM 0 HA LYS A 63 6.970 4.002 8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.585 2.414 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.587 3.661 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.229 5.325 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.524 3.916 9.011 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.790 4.204 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.550 4.877 7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.534 2.594 8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.781 1.922 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.213 1.745 7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.638 2.777 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.367 3.428 7.371 1.00 0.00 H new ATOM 1007 N LEU A 64 6.796 5.422 5.725 1.00 0.00 N ATOM 1008 CA LEU A 64 6.480 6.734 5.066 1.00 0.00 C ATOM 1009 C LEU A 64 5.122 7.270 5.535 1.00 0.00 C ATOM 1010 O LEU A 64 4.887 8.464 5.544 1.00 0.00 O ATOM 1011 CB LEU A 64 6.443 6.433 3.566 1.00 0.00 C ATOM 1012 CG LEU A 64 7.849 6.584 2.982 1.00 0.00 C ATOM 1013 CD1 LEU A 64 7.853 6.104 1.530 1.00 0.00 C ATOM 1014 CD2 LEU A 64 8.265 8.056 3.033 1.00 0.00 C ATOM 0 H LEU A 64 7.079 4.679 5.086 1.00 0.00 H new ATOM 0 HA LEU A 64 7.219 7.496 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.073 5.422 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.754 7.113 3.064 1.00 0.00 H new ATOM 0 HG LEU A 64 8.551 5.986 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.855 6.212 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.555 5.056 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.152 6.702 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.267 8.166 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.563 8.653 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.262 8.399 4.068 1.00 0.00 H new ATOM 1026 N LYS A 65 4.238 6.394 5.943 1.00 0.00 N ATOM 1027 CA LYS A 65 2.906 6.849 6.435 1.00 0.00 C ATOM 1028 C LYS A 65 3.090 7.550 7.780 1.00 0.00 C ATOM 1029 O LYS A 65 2.571 8.624 8.013 1.00 0.00 O ATOM 1030 CB LYS A 65 2.075 5.573 6.599 1.00 0.00 C ATOM 1031 CG LYS A 65 0.662 5.941 7.057 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.239 4.707 6.972 1.00 0.00 C ATOM 1033 CE LYS A 65 0.009 3.809 8.186 1.00 0.00 C ATOM 1034 NZ LYS A 65 -1.122 2.839 8.184 1.00 0.00 N ATOM 0 H LYS A 65 4.383 5.384 5.956 1.00 0.00 H new ATOM 0 HA LYS A 65 2.420 7.550 5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.033 5.030 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.544 4.911 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.686 6.317 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.262 6.740 6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.286 5.010 6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.036 4.158 6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.968 3.297 8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.030 4.389 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.022 2.188 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.022 3.355 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.113 2.297 7.297 1.00 0.00 H new