USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 398 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 31 THR OG1 : rot -92:sc= 0.0101 USER MOD Set 1.2: A 32 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.46) USER MOD Single : A 15 SER OG : rot 180:sc=-0.000576 USER MOD Single : A 21 CYS SG : rot -45:sc= -0.877 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -24:sc= 0.199 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.000922) USER MOD Single : A 47 MET CE :methyl -163:sc= -3.21! (180deg=-5.56!) USER MOD Single : A 49 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.5!) USER MOD Single : A 50 ASN : amide:sc= 0.774 K(o=0.77,f=-0.0051) USER MOD Single : A 52 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.6) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.112 (180deg=-1.07) USER MOD Single : A 57 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.096) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.928 USER MOD Single : A 62 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.208) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 14 -5.644 -2.786 7.378 1.00 0.00 N ATOM 165 CA PRO A 14 -5.572 -1.357 7.058 1.00 0.00 C ATOM 166 C PRO A 14 -6.949 -0.746 6.823 1.00 0.00 C ATOM 167 O PRO A 14 -7.876 -1.429 6.389 1.00 0.00 O ATOM 168 CB PRO A 14 -4.745 -1.324 5.770 1.00 0.00 C ATOM 169 CG PRO A 14 -4.956 -2.661 5.149 1.00 0.00 C ATOM 170 CD PRO A 14 -5.115 -3.627 6.291 1.00 0.00 C ATOM 0 HA PRO A 14 -5.140 -0.777 7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.075 -0.524 5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.690 -1.148 5.981 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.841 -2.660 4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.110 -2.937 4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.800 -4.437 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.165 -4.086 6.564 1.00 0.00 H new ATOM 178 N SER A 15 -7.075 0.545 7.112 1.00 0.00 N ATOM 179 CA SER A 15 -8.340 1.248 6.936 1.00 0.00 C ATOM 180 C SER A 15 -8.329 2.072 5.652 1.00 0.00 C ATOM 181 O SER A 15 -7.282 2.549 5.215 1.00 0.00 O ATOM 182 CB SER A 15 -8.615 2.157 8.136 1.00 0.00 C ATOM 183 OG SER A 15 -7.853 3.349 8.058 1.00 0.00 O ATOM 0 H SER A 15 -6.316 1.126 7.469 1.00 0.00 H new ATOM 0 HA SER A 15 -9.133 0.504 6.864 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.676 2.402 8.175 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.376 1.629 9.059 1.00 0.00 H new ATOM 0 HG SER A 15 -8.048 3.913 8.835 1.00 0.00 H new ATOM 189 N GLY A 16 -9.504 2.236 5.051 1.00 0.00 N ATOM 190 CA GLY A 16 -9.609 3.002 3.822 1.00 0.00 C ATOM 191 C GLY A 16 -8.688 4.206 3.810 1.00 0.00 C ATOM 192 O GLY A 16 -8.160 4.582 2.764 1.00 0.00 O ATOM 0 H GLY A 16 -10.385 1.852 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.372 2.358 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.639 3.335 3.691 1.00 0.00 H new ATOM 196 N PHE A 17 -8.496 4.814 4.976 1.00 0.00 N ATOM 197 CA PHE A 17 -7.636 5.985 5.095 1.00 0.00 C ATOM 198 C PHE A 17 -6.186 5.629 4.778 1.00 0.00 C ATOM 199 O PHE A 17 -5.499 6.358 4.062 1.00 0.00 O ATOM 200 CB PHE A 17 -7.731 6.574 6.504 1.00 0.00 C ATOM 201 CG PHE A 17 -6.542 7.406 6.888 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.986 8.301 5.988 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.978 7.294 8.149 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.891 9.069 6.338 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.884 8.059 8.505 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.339 8.947 7.598 1.00 0.00 C ATOM 0 H PHE A 17 -8.925 4.515 5.852 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.976 6.729 4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.630 7.186 6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.843 5.761 7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.413 8.400 5.001 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.399 6.600 8.862 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.468 9.763 5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.455 7.963 9.492 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.483 9.545 7.874 1.00 0.00 H new ATOM 216 N PHE A 18 -5.728 4.504 5.316 1.00 0.00 N ATOM 217 CA PHE A 18 -4.360 4.051 5.093 1.00 0.00 C ATOM 218 C PHE A 18 -4.187 3.527 3.670 1.00 0.00 C ATOM 219 O PHE A 18 -3.320 3.990 2.927 1.00 0.00 O ATOM 220 CB PHE A 18 -3.991 2.959 6.099 1.00 0.00 C ATOM 221 CG PHE A 18 -2.571 2.484 5.975 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.192 1.660 4.928 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.616 2.862 6.905 1.00 0.00 C ATOM 224 CE1 PHE A 18 -0.886 1.221 4.810 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.309 2.427 6.792 1.00 0.00 C ATOM 226 CZ PHE A 18 0.056 1.605 5.744 1.00 0.00 C ATOM 0 H PHE A 18 -6.284 3.889 5.910 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.694 4.903 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.152 3.337 7.109 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.662 2.111 5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.925 1.357 4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.896 3.504 7.727 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.603 0.579 3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.426 2.730 7.523 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.077 1.263 5.655 1.00 0.00 H new ATOM 236 N LEU A 19 -5.015 2.558 3.298 1.00 0.00 N ATOM 237 CA LEU A 19 -4.955 1.969 1.965 1.00 0.00 C ATOM 238 C LEU A 19 -4.718 3.041 0.906 1.00 0.00 C ATOM 239 O LEU A 19 -3.973 2.830 -0.051 1.00 0.00 O ATOM 240 CB LEU A 19 -6.249 1.212 1.660 1.00 0.00 C ATOM 241 CG LEU A 19 -6.500 -0.049 2.488 1.00 0.00 C ATOM 242 CD1 LEU A 19 -7.943 -0.506 2.340 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.542 -1.157 2.075 1.00 0.00 C ATOM 0 H LEU A 19 -5.737 2.163 3.901 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.119 1.270 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.088 1.892 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.245 0.935 0.606 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.321 0.186 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.103 -1.404 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.612 0.283 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.150 -0.724 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.735 -2.047 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.689 -1.391 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.515 -0.828 2.234 1.00 0.00 H new ATOM 255 N PHE A 20 -5.356 4.193 1.085 1.00 0.00 N ATOM 256 CA PHE A 20 -5.214 5.300 0.146 1.00 0.00 C ATOM 257 C PHE A 20 -3.880 6.013 0.344 1.00 0.00 C ATOM 258 O PHE A 20 -3.245 6.444 -0.619 1.00 0.00 O ATOM 259 CB PHE A 20 -6.366 6.292 0.317 1.00 0.00 C ATOM 260 CG PHE A 20 -6.015 7.694 -0.092 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.188 8.475 0.700 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.512 8.232 -1.268 1.00 0.00 C ATOM 263 CE1 PHE A 20 -4.863 9.765 0.327 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.190 9.521 -1.647 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.366 10.289 -0.848 1.00 0.00 C ATOM 0 H PHE A 20 -5.976 4.384 1.872 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.242 4.893 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.218 5.953 -0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.681 6.294 1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.793 8.070 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.159 7.637 -1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.217 10.363 0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.582 9.928 -2.567 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.115 11.298 -1.141 1.00 0.00 H new ATOM 275 N CYS A 21 -3.461 6.135 1.599 1.00 0.00 N ATOM 276 CA CYS A 21 -2.203 6.798 1.925 1.00 0.00 C ATOM 277 C CYS A 21 -1.017 6.015 1.371 1.00 0.00 C ATOM 278 O CYS A 21 0.005 6.594 1.006 1.00 0.00 O ATOM 279 CB CYS A 21 -2.064 6.956 3.440 1.00 0.00 C ATOM 280 SG CYS A 21 -1.348 5.518 4.269 1.00 0.00 S ATOM 0 H CYS A 21 -3.974 5.783 2.407 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.210 7.786 1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.444 7.828 3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.048 7.155 3.866 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.901 4.434 3.812 1.00 0.00 H new ATOM 286 N SER A 22 -1.161 4.695 1.314 1.00 0.00 N ATOM 287 CA SER A 22 -0.100 3.831 0.811 1.00 0.00 C ATOM 288 C SER A 22 -0.069 3.841 -0.715 1.00 0.00 C ATOM 289 O SER A 22 0.979 3.635 -1.326 1.00 0.00 O ATOM 290 CB SER A 22 -0.292 2.401 1.319 1.00 0.00 C ATOM 291 OG SER A 22 0.951 1.735 1.450 1.00 0.00 O ATOM 0 H SER A 22 -2.003 4.200 1.610 1.00 0.00 H new ATOM 0 HA SER A 22 0.851 4.214 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.801 2.419 2.282 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.932 1.850 0.630 1.00 0.00 H new ATOM 0 HG SER A 22 0.801 0.824 1.778 1.00 0.00 H new ATOM 297 N GLU A 23 -1.226 4.083 -1.322 1.00 0.00 N ATOM 298 CA GLU A 23 -1.332 4.119 -2.776 1.00 0.00 C ATOM 299 C GLU A 23 -0.975 5.502 -3.313 1.00 0.00 C ATOM 300 O GLU A 23 -0.593 5.649 -4.475 1.00 0.00 O ATOM 301 CB GLU A 23 -2.748 3.739 -3.216 1.00 0.00 C ATOM 302 CG GLU A 23 -2.994 3.927 -4.703 1.00 0.00 C ATOM 303 CD GLU A 23 -4.028 2.962 -5.250 1.00 0.00 C ATOM 304 OE1 GLU A 23 -3.781 1.739 -5.204 1.00 0.00 O ATOM 305 OE2 GLU A 23 -5.084 3.430 -5.724 1.00 0.00 O ATOM 0 H GLU A 23 -2.103 4.257 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.626 3.396 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.933 2.697 -2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.466 4.340 -2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.324 4.950 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.056 3.793 -5.242 1.00 0.00 H new ATOM 312 N PHE A 24 -1.102 6.513 -2.460 1.00 0.00 N ATOM 313 CA PHE A 24 -0.795 7.884 -2.849 1.00 0.00 C ATOM 314 C PHE A 24 0.614 8.272 -2.408 1.00 0.00 C ATOM 315 O PHE A 24 1.178 9.254 -2.889 1.00 0.00 O ATOM 316 CB PHE A 24 -1.815 8.850 -2.241 1.00 0.00 C ATOM 317 CG PHE A 24 -3.038 9.042 -3.091 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.879 7.977 -3.368 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.347 10.288 -3.612 1.00 0.00 C ATOM 320 CE1 PHE A 24 -5.005 8.150 -4.151 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.472 10.468 -4.395 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.303 9.398 -4.664 1.00 0.00 C ATOM 0 H PHE A 24 -1.415 6.408 -1.495 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.848 7.947 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.117 8.478 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.338 9.817 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.652 7.000 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.701 11.128 -3.404 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.651 7.311 -4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.701 11.444 -4.796 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.184 9.536 -5.274 1.00 0.00 H new ATOM 332 N ARG A 25 1.175 7.492 -1.490 1.00 0.00 N ATOM 333 CA ARG A 25 2.517 7.754 -0.982 1.00 0.00 C ATOM 334 C ARG A 25 3.512 7.903 -2.129 1.00 0.00 C ATOM 335 O ARG A 25 4.342 8.812 -2.149 1.00 0.00 O ATOM 336 CB ARG A 25 2.961 6.625 -0.050 1.00 0.00 C ATOM 337 CG ARG A 25 3.884 7.086 1.067 1.00 0.00 C ATOM 338 CD ARG A 25 4.285 5.930 1.970 1.00 0.00 C ATOM 339 NE ARG A 25 3.180 5.487 2.816 1.00 0.00 N ATOM 340 CZ ARG A 25 3.275 4.486 3.683 1.00 0.00 C ATOM 341 NH1 ARG A 25 4.417 3.827 3.819 1.00 0.00 N ATOM 342 NH2 ARG A 25 2.224 4.141 4.418 1.00 0.00 N ATOM 0 H ARG A 25 0.722 6.674 -1.083 1.00 0.00 H new ATOM 0 HA ARG A 25 2.492 8.689 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.079 6.159 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.468 5.859 -0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.777 7.541 0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.386 7.855 1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.631 5.096 1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.123 6.234 2.598 1.00 0.00 H new ATOM 0 HE ARG A 25 2.287 5.973 2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.227 4.088 3.257 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.486 3.059 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.343 4.645 4.317 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.298 3.372 5.084 1.00 0.00 H new ATOM 356 N PRO A 26 3.430 6.988 -3.107 1.00 0.00 N ATOM 357 CA PRO A 26 4.316 6.996 -4.274 1.00 0.00 C ATOM 358 C PRO A 26 4.420 8.376 -4.914 1.00 0.00 C ATOM 359 O PRO A 26 5.514 8.919 -5.072 1.00 0.00 O ATOM 360 CB PRO A 26 3.646 6.011 -5.235 1.00 0.00 C ATOM 361 CG PRO A 26 2.875 5.089 -4.355 1.00 0.00 C ATOM 362 CD PRO A 26 2.466 5.876 -3.147 1.00 0.00 C ATOM 0 HA PRO A 26 5.339 6.727 -4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.992 6.527 -5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.385 5.469 -5.826 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.000 4.700 -4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.483 4.231 -4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.442 6.238 -3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.515 5.272 -2.241 1.00 0.00 H new ATOM 370 N LYS A 27 3.274 8.941 -5.280 1.00 0.00 N ATOM 371 CA LYS A 27 3.235 10.260 -5.901 1.00 0.00 C ATOM 372 C LYS A 27 3.949 11.291 -5.034 1.00 0.00 C ATOM 373 O LYS A 27 4.814 12.026 -5.513 1.00 0.00 O ATOM 374 CB LYS A 27 1.786 10.692 -6.137 1.00 0.00 C ATOM 375 CG LYS A 27 0.986 9.708 -6.974 1.00 0.00 C ATOM 376 CD LYS A 27 -0.509 9.939 -6.828 1.00 0.00 C ATOM 377 CE LYS A 27 -1.290 9.246 -7.934 1.00 0.00 C ATOM 378 NZ LYS A 27 -1.349 10.071 -9.172 1.00 0.00 N ATOM 0 H LYS A 27 2.360 8.506 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 27 3.750 10.198 -6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.293 10.821 -5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.781 11.664 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.270 9.805 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.229 8.689 -6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.843 9.569 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.717 11.009 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.826 8.286 -8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.302 9.038 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.890 9.564 -9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.814 10.977 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.384 10.249 -9.517 1.00 0.00 H new ATOM 392 N ILE A 28 3.584 11.340 -3.758 1.00 0.00 N ATOM 393 CA ILE A 28 4.192 12.279 -2.824 1.00 0.00 C ATOM 394 C ILE A 28 5.709 12.126 -2.801 1.00 0.00 C ATOM 395 O ILE A 28 6.444 13.114 -2.814 1.00 0.00 O ATOM 396 CB ILE A 28 3.646 12.088 -1.397 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.120 12.196 -1.392 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.257 13.114 -0.454 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.507 12.040 -0.018 1.00 0.00 C ATOM 0 H ILE A 28 2.869 10.740 -3.347 1.00 0.00 H new ATOM 0 HA ILE A 28 3.935 13.280 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 28 3.922 11.093 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.831 13.164 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.708 11.434 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.861 12.966 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.340 12.994 -0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.008 14.118 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.423 12.128 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.765 11.061 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.890 12.818 0.642 1.00 0.00 H new ATOM 411 N LYS A 29 6.172 10.882 -2.768 1.00 0.00 N ATOM 412 CA LYS A 29 7.602 10.597 -2.746 1.00 0.00 C ATOM 413 C LYS A 29 8.239 10.907 -4.097 1.00 0.00 C ATOM 414 O LYS A 29 9.457 11.055 -4.200 1.00 0.00 O ATOM 415 CB LYS A 29 7.846 9.131 -2.380 1.00 0.00 C ATOM 416 CG LYS A 29 7.520 8.803 -0.934 1.00 0.00 C ATOM 417 CD LYS A 29 7.843 7.356 -0.604 1.00 0.00 C ATOM 418 CE LYS A 29 9.276 7.201 -0.119 1.00 0.00 C ATOM 419 NZ LYS A 29 9.781 5.813 -0.314 1.00 0.00 N ATOM 0 H LYS A 29 5.577 10.053 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 29 8.062 11.235 -1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.245 8.498 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.890 8.886 -2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.084 9.462 -0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.463 8.993 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.157 6.995 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.688 6.737 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.918 7.900 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.332 7.463 0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.761 5.749 0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.184 5.148 0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.752 5.572 -1.325 1.00 0.00 H new ATOM 433 N SER A 30 7.408 11.006 -5.130 1.00 0.00 N ATOM 434 CA SER A 30 7.891 11.297 -6.475 1.00 0.00 C ATOM 435 C SER A 30 7.766 12.785 -6.787 1.00 0.00 C ATOM 436 O SER A 30 8.389 13.291 -7.722 1.00 0.00 O ATOM 437 CB SER A 30 7.111 10.481 -7.507 1.00 0.00 C ATOM 438 OG SER A 30 7.561 10.757 -8.822 1.00 0.00 O ATOM 0 H SER A 30 6.397 10.889 -5.061 1.00 0.00 H new ATOM 0 HA SER A 30 8.944 11.020 -6.524 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.225 9.418 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.048 10.709 -7.428 1.00 0.00 H new ATOM 0 HG SER A 30 7.971 11.647 -8.847 1.00 0.00 H new ATOM 444 N THR A 31 6.956 13.483 -5.997 1.00 0.00 N ATOM 445 CA THR A 31 6.748 14.913 -6.188 1.00 0.00 C ATOM 446 C THR A 31 7.679 15.728 -5.298 1.00 0.00 C ATOM 447 O THR A 31 8.273 16.710 -5.741 1.00 0.00 O ATOM 448 CB THR A 31 5.290 15.313 -5.889 1.00 0.00 C ATOM 449 OG1 THR A 31 4.720 14.410 -4.935 1.00 0.00 O ATOM 450 CG2 THR A 31 4.456 15.308 -7.161 1.00 0.00 C ATOM 0 H THR A 31 6.433 13.081 -5.219 1.00 0.00 H new ATOM 0 HA THR A 31 6.969 15.128 -7.233 1.00 0.00 H new ATOM 0 HB THR A 31 5.290 16.322 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.272 13.677 -5.406 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.431 15.593 -6.925 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.875 16.018 -7.874 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.463 14.309 -7.597 1.00 0.00 H new ATOM 458 N ASN A 32 7.801 15.315 -4.041 1.00 0.00 N ATOM 459 CA ASN A 32 8.662 16.008 -3.089 1.00 0.00 C ATOM 460 C ASN A 32 10.068 15.417 -3.096 1.00 0.00 C ATOM 461 O ASN A 32 10.264 14.213 -2.926 1.00 0.00 O ATOM 462 CB ASN A 32 8.069 15.925 -1.680 1.00 0.00 C ATOM 463 CG ASN A 32 6.734 16.637 -1.572 1.00 0.00 C ATOM 464 OD1 ASN A 32 6.605 17.632 -0.859 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.733 16.129 -2.281 1.00 0.00 N ATOM 0 H ASN A 32 7.315 14.504 -3.658 1.00 0.00 H new ATOM 0 HA ASN A 32 8.726 17.054 -3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.943 14.878 -1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.769 16.361 -0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.812 16.565 -2.248 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.885 15.302 -2.859 1.00 0.00 H new ATOM 472 N PRO A 33 11.073 16.283 -3.297 1.00 0.00 N ATOM 473 CA PRO A 33 12.479 15.870 -3.330 1.00 0.00 C ATOM 474 C PRO A 33 12.990 15.444 -1.958 1.00 0.00 C ATOM 475 O PRO A 33 12.731 16.107 -0.955 1.00 0.00 O ATOM 476 CB PRO A 33 13.207 17.130 -3.805 1.00 0.00 C ATOM 477 CG PRO A 33 12.318 18.256 -3.402 1.00 0.00 C ATOM 478 CD PRO A 33 10.913 17.731 -3.507 1.00 0.00 C ATOM 0 HA PRO A 33 12.635 15.003 -3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.190 17.217 -3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.362 17.115 -4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.538 18.582 -2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.462 19.119 -4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.261 18.176 -2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.474 17.950 -4.480 1.00 0.00 H new ATOM 486 N GLY A 34 13.720 14.333 -1.923 1.00 0.00 N ATOM 487 CA GLY A 34 14.256 13.837 -0.668 1.00 0.00 C ATOM 488 C GLY A 34 13.320 14.079 0.499 1.00 0.00 C ATOM 489 O GLY A 34 13.730 14.605 1.534 1.00 0.00 O ATOM 0 H GLY A 34 13.950 13.768 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.451 12.768 -0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.212 14.320 -0.469 1.00 0.00 H new ATOM 493 N ILE A 35 12.058 13.697 0.332 1.00 0.00 N ATOM 494 CA ILE A 35 11.061 13.876 1.380 1.00 0.00 C ATOM 495 C ILE A 35 11.251 12.858 2.499 1.00 0.00 C ATOM 496 O ILE A 35 11.935 11.849 2.325 1.00 0.00 O ATOM 497 CB ILE A 35 9.631 13.750 0.824 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.607 14.101 1.905 1.00 0.00 C ATOM 499 CG2 ILE A 35 9.390 12.344 0.295 1.00 0.00 C ATOM 500 CD1 ILE A 35 7.233 14.418 1.357 1.00 0.00 C ATOM 0 H ILE A 35 11.702 13.262 -0.519 1.00 0.00 H new ATOM 0 HA ILE A 35 11.200 14.881 1.779 1.00 0.00 H new ATOM 0 HB ILE A 35 9.515 14.452 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.527 13.267 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.969 14.958 2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.375 12.271 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.101 12.128 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.521 11.624 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.559 14.657 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.299 15.271 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.850 13.554 0.814 1.00 0.00 H new ATOM 512 N SER A 36 10.640 13.128 3.648 1.00 0.00 N ATOM 513 CA SER A 36 10.743 12.236 4.797 1.00 0.00 C ATOM 514 C SER A 36 9.360 11.803 5.274 1.00 0.00 C ATOM 515 O SER A 36 8.416 12.594 5.276 1.00 0.00 O ATOM 516 CB SER A 36 11.496 12.925 5.937 1.00 0.00 C ATOM 517 OG SER A 36 12.894 12.905 5.711 1.00 0.00 O ATOM 0 H SER A 36 10.068 13.957 3.808 1.00 0.00 H new ATOM 0 HA SER A 36 11.296 11.349 4.489 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.155 13.956 6.031 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.270 12.427 6.880 1.00 0.00 H new ATOM 0 HG SER A 36 13.352 13.353 6.453 1.00 0.00 H new ATOM 523 N ILE A 37 9.249 10.541 5.677 1.00 0.00 N ATOM 524 CA ILE A 37 7.983 10.002 6.157 1.00 0.00 C ATOM 525 C ILE A 37 7.197 11.053 6.933 1.00 0.00 C ATOM 526 O ILE A 37 5.973 11.126 6.835 1.00 0.00 O ATOM 527 CB ILE A 37 8.200 8.771 7.057 1.00 0.00 C ATOM 528 CG1 ILE A 37 8.745 7.601 6.235 1.00 0.00 C ATOM 529 CG2 ILE A 37 6.900 8.382 7.745 1.00 0.00 C ATOM 530 CD1 ILE A 37 9.251 6.453 7.081 1.00 0.00 C ATOM 0 H ILE A 37 10.020 9.874 5.680 1.00 0.00 H new ATOM 0 HA ILE A 37 7.414 9.702 5.277 1.00 0.00 H new ATOM 0 HB ILE A 37 8.932 9.024 7.824 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.960 7.236 5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.556 7.959 5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.070 7.511 8.377 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.550 9.213 8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.148 8.144 6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.622 5.659 6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.058 6.803 7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.438 6.068 7.696 1.00 0.00 H new ATOM 542 N GLY A 38 7.910 11.868 7.704 1.00 0.00 N ATOM 543 CA GLY A 38 7.263 12.906 8.485 1.00 0.00 C ATOM 544 C GLY A 38 6.435 13.844 7.629 1.00 0.00 C ATOM 545 O GLY A 38 5.273 14.112 7.936 1.00 0.00 O ATOM 0 H GLY A 38 8.925 11.828 7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.623 12.445 9.237 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.020 13.480 9.019 1.00 0.00 H new ATOM 549 N ASP A 39 7.033 14.345 6.555 1.00 0.00 N ATOM 550 CA ASP A 39 6.344 15.260 5.652 1.00 0.00 C ATOM 551 C ASP A 39 5.173 14.564 4.964 1.00 0.00 C ATOM 552 O ASP A 39 4.053 15.076 4.953 1.00 0.00 O ATOM 553 CB ASP A 39 7.315 15.806 4.604 1.00 0.00 C ATOM 554 CG ASP A 39 8.036 17.053 5.078 1.00 0.00 C ATOM 555 OD1 ASP A 39 7.467 18.156 4.937 1.00 0.00 O ATOM 556 OD2 ASP A 39 9.169 16.926 5.587 1.00 0.00 O ATOM 0 H ASP A 39 7.994 14.133 6.288 1.00 0.00 H new ATOM 0 HA ASP A 39 5.956 16.090 6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.048 15.038 4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.768 16.032 3.689 1.00 0.00 H new ATOM 561 N VAL A 40 5.440 13.396 4.390 1.00 0.00 N ATOM 562 CA VAL A 40 4.409 12.630 3.700 1.00 0.00 C ATOM 563 C VAL A 40 3.178 12.448 4.580 1.00 0.00 C ATOM 564 O VAL A 40 2.048 12.648 4.134 1.00 0.00 O ATOM 565 CB VAL A 40 4.930 11.245 3.273 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.828 10.445 2.594 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.136 11.389 2.357 1.00 0.00 C ATOM 0 H VAL A 40 6.362 12.959 4.389 1.00 0.00 H new ATOM 0 HA VAL A 40 4.136 13.197 2.810 1.00 0.00 H new ATOM 0 HB VAL A 40 5.242 10.703 4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.215 9.470 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.996 10.312 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.482 10.980 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.491 10.401 2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.852 11.950 1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.930 11.919 2.882 1.00 0.00 H new ATOM 577 N ALA A 41 3.404 12.068 5.833 1.00 0.00 N ATOM 578 CA ALA A 41 2.313 11.861 6.778 1.00 0.00 C ATOM 579 C ALA A 41 1.404 13.084 6.842 1.00 0.00 C ATOM 580 O ALA A 41 0.183 12.969 6.731 1.00 0.00 O ATOM 581 CB ALA A 41 2.864 11.538 8.158 1.00 0.00 C ATOM 0 H ALA A 41 4.333 11.897 6.218 1.00 0.00 H new ATOM 0 HA ALA A 41 1.719 11.016 6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.038 11.386 8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.466 10.631 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.483 12.365 8.505 1.00 0.00 H new ATOM 587 N LYS A 42 2.006 14.254 7.022 1.00 0.00 N ATOM 588 CA LYS A 42 1.252 15.499 7.101 1.00 0.00 C ATOM 589 C LYS A 42 0.370 15.681 5.869 1.00 0.00 C ATOM 590 O LYS A 42 -0.826 15.950 5.982 1.00 0.00 O ATOM 591 CB LYS A 42 2.204 16.689 7.239 1.00 0.00 C ATOM 592 CG LYS A 42 1.572 17.901 7.901 1.00 0.00 C ATOM 593 CD LYS A 42 2.624 18.835 8.475 1.00 0.00 C ATOM 594 CE LYS A 42 3.138 18.337 9.817 1.00 0.00 C ATOM 595 NZ LYS A 42 4.301 19.136 10.296 1.00 0.00 N ATOM 0 H LYS A 42 3.015 14.366 7.116 1.00 0.00 H new ATOM 0 HA LYS A 42 0.611 15.450 7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.074 16.382 7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.564 16.972 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.965 18.439 7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.902 17.574 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.455 18.922 7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.201 19.833 8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.336 18.385 10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.428 17.290 9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.622 18.766 11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.076 19.070 9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.018 20.131 10.404 1.00 0.00 H new ATOM 609 N LYS A 43 0.968 15.530 4.692 1.00 0.00 N ATOM 610 CA LYS A 43 0.238 15.674 3.438 1.00 0.00 C ATOM 611 C LYS A 43 -0.895 14.656 3.349 1.00 0.00 C ATOM 612 O LYS A 43 -2.055 15.020 3.153 1.00 0.00 O ATOM 613 CB LYS A 43 1.187 15.503 2.249 1.00 0.00 C ATOM 614 CG LYS A 43 1.932 16.773 1.878 1.00 0.00 C ATOM 615 CD LYS A 43 3.067 16.491 0.908 1.00 0.00 C ATOM 616 CE LYS A 43 2.550 16.265 -0.504 1.00 0.00 C ATOM 617 NZ LYS A 43 2.221 17.547 -1.186 1.00 0.00 N ATOM 0 H LYS A 43 1.957 15.308 4.580 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.193 16.675 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.911 14.722 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.616 15.161 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.239 17.485 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.330 17.239 2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.766 17.327 0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.620 15.612 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.300 15.727 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.662 15.634 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.486 17.380 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.874 18.233 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.074 17.924 -1.647 1.00 0.00 H new ATOM 631 N LEU A 44 -0.552 13.381 3.494 1.00 0.00 N ATOM 632 CA LEU A 44 -1.541 12.311 3.431 1.00 0.00 C ATOM 633 C LEU A 44 -2.794 12.680 4.218 1.00 0.00 C ATOM 634 O LEU A 44 -3.873 12.837 3.648 1.00 0.00 O ATOM 635 CB LEU A 44 -0.948 11.010 3.974 1.00 0.00 C ATOM 636 CG LEU A 44 0.123 10.346 3.108 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.989 9.419 3.947 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.518 9.585 1.957 1.00 0.00 C ATOM 0 H LEU A 44 0.404 13.063 3.656 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.820 12.168 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.519 11.212 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.760 10.298 4.121 1.00 0.00 H new ATOM 0 HG LEU A 44 0.760 11.126 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.745 8.955 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.477 9.992 4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.366 8.644 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.259 9.119 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.180 8.815 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.094 10.275 1.340 1.00 0.00 H new ATOM 650 N GLY A 45 -2.642 12.821 5.531 1.00 0.00 N ATOM 651 CA GLY A 45 -3.769 13.174 6.375 1.00 0.00 C ATOM 652 C GLY A 45 -4.697 14.174 5.714 1.00 0.00 C ATOM 653 O GLY A 45 -5.918 14.039 5.789 1.00 0.00 O ATOM 0 H GLY A 45 -1.759 12.697 6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.329 12.273 6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.401 13.590 7.313 1.00 0.00 H new ATOM 657 N GLU A 46 -4.117 15.180 5.067 1.00 0.00 N ATOM 658 CA GLU A 46 -4.902 16.207 4.393 1.00 0.00 C ATOM 659 C GLU A 46 -5.608 15.636 3.167 1.00 0.00 C ATOM 660 O GLU A 46 -6.826 15.743 3.033 1.00 0.00 O ATOM 661 CB GLU A 46 -4.006 17.377 3.981 1.00 0.00 C ATOM 662 CG GLU A 46 -3.882 18.453 5.047 1.00 0.00 C ATOM 663 CD GLU A 46 -4.982 19.492 4.957 1.00 0.00 C ATOM 664 OE1 GLU A 46 -6.160 19.129 5.161 1.00 0.00 O ATOM 665 OE2 GLU A 46 -4.666 20.669 4.684 1.00 0.00 O ATOM 0 H GLU A 46 -3.107 15.305 4.995 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.658 16.566 5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.013 16.997 3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.403 17.824 3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.907 17.988 6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.914 18.945 4.951 1.00 0.00 H new ATOM 672 N MET A 47 -4.832 15.030 2.274 1.00 0.00 N ATOM 673 CA MET A 47 -5.382 14.442 1.058 1.00 0.00 C ATOM 674 C MET A 47 -6.588 13.563 1.377 1.00 0.00 C ATOM 675 O MET A 47 -7.570 13.549 0.636 1.00 0.00 O ATOM 676 CB MET A 47 -4.314 13.619 0.336 1.00 0.00 C ATOM 677 CG MET A 47 -3.044 14.399 0.038 1.00 0.00 C ATOM 678 SD MET A 47 -2.202 13.816 -1.446 1.00 0.00 S ATOM 679 CE MET A 47 -1.946 12.091 -1.034 1.00 0.00 C ATOM 0 H MET A 47 -3.821 14.933 2.370 1.00 0.00 H new ATOM 0 HA MET A 47 -5.707 15.253 0.407 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.063 12.751 0.945 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.728 13.243 -0.600 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.290 15.454 -0.079 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.367 14.322 0.889 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.189 11.668 -1.694 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.612 12.010 0.001 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.881 11.545 -1.158 1.00 0.00 H new ATOM 689 N TRP A 48 -6.505 12.833 2.483 1.00 0.00 N ATOM 690 CA TRP A 48 -7.591 11.951 2.899 1.00 0.00 C ATOM 691 C TRP A 48 -8.847 12.751 3.225 1.00 0.00 C ATOM 692 O TRP A 48 -9.908 12.519 2.649 1.00 0.00 O ATOM 693 CB TRP A 48 -7.167 11.125 4.115 1.00 0.00 C ATOM 694 CG TRP A 48 -8.274 10.287 4.678 1.00 0.00 C ATOM 695 CD1 TRP A 48 -8.882 10.440 5.891 1.00 0.00 C ATOM 696 CD2 TRP A 48 -8.903 9.164 4.051 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.851 9.480 6.056 1.00 0.00 N ATOM 698 CE2 TRP A 48 -9.884 8.685 4.941 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.734 8.517 2.824 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.690 7.590 4.641 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.534 7.430 2.528 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.503 6.976 3.433 1.00 0.00 C ATOM 0 H TRP A 48 -5.699 12.834 3.108 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.816 11.278 2.072 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.337 10.477 3.834 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.798 11.796 4.891 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.637 11.204 6.615 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.449 9.376 6.876 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.991 8.861 2.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.437 7.238 5.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.410 6.922 1.583 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.114 6.125 3.172 1.00 0.00 H new ATOM 713 N ASN A 49 -8.719 13.693 4.154 1.00 0.00 N ATOM 714 CA ASN A 49 -9.845 14.528 4.557 1.00 0.00 C ATOM 715 C ASN A 49 -10.471 15.217 3.348 1.00 0.00 C ATOM 716 O ASN A 49 -11.684 15.419 3.295 1.00 0.00 O ATOM 717 CB ASN A 49 -9.393 15.574 5.577 1.00 0.00 C ATOM 718 CG ASN A 49 -10.555 16.359 6.155 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.623 16.444 5.548 1.00 0.00 O ATOM 720 ND2 ASN A 49 -10.351 16.937 7.333 1.00 0.00 N ATOM 0 H ASN A 49 -7.847 13.897 4.642 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.596 13.885 5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.854 15.080 6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.694 16.262 5.102 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.096 17.478 7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.449 16.839 7.800 1.00 0.00 H new ATOM 727 N ASN A 50 -9.635 15.574 2.379 1.00 0.00 N ATOM 728 CA ASN A 50 -10.106 16.241 1.170 1.00 0.00 C ATOM 729 C ASN A 50 -11.121 15.374 0.431 1.00 0.00 C ATOM 730 O ASN A 50 -12.153 15.862 -0.030 1.00 0.00 O ATOM 731 CB ASN A 50 -8.928 16.566 0.249 1.00 0.00 C ATOM 732 CG ASN A 50 -8.321 17.923 0.545 1.00 0.00 C ATOM 733 OD1 ASN A 50 -8.757 18.941 0.007 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.308 17.944 1.403 1.00 0.00 N ATOM 0 H ASN A 50 -8.628 15.413 2.407 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.594 17.170 1.464 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.163 15.797 0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.263 16.539 -0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.859 18.828 1.640 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.979 17.076 1.825 1.00 0.00 H new ATOM 741 N LEU A 51 -10.820 14.084 0.322 1.00 0.00 N ATOM 742 CA LEU A 51 -11.705 13.147 -0.361 1.00 0.00 C ATOM 743 C LEU A 51 -13.145 13.315 0.113 1.00 0.00 C ATOM 744 O LEU A 51 -13.397 13.874 1.179 1.00 0.00 O ATOM 745 CB LEU A 51 -11.241 11.710 -0.122 1.00 0.00 C ATOM 746 CG LEU A 51 -9.938 11.301 -0.810 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.372 10.040 -0.177 1.00 0.00 C ATOM 748 CD2 LEU A 51 -10.165 11.096 -2.301 1.00 0.00 C ATOM 0 H LEU A 51 -9.970 13.664 0.698 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.666 13.361 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.124 11.561 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.030 11.035 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.213 12.104 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.445 9.765 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.172 10.221 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.093 9.228 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.228 10.805 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.906 10.311 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.524 12.024 -2.745 1.00 0.00 H new ATOM 760 N ASN A 52 -14.087 12.823 -0.686 1.00 0.00 N ATOM 761 CA ASN A 52 -15.502 12.917 -0.347 1.00 0.00 C ATOM 762 C ASN A 52 -16.029 11.578 0.162 1.00 0.00 C ATOM 763 O ASN A 52 -15.401 10.538 -0.032 1.00 0.00 O ATOM 764 CB ASN A 52 -16.311 13.366 -1.565 1.00 0.00 C ATOM 765 CG ASN A 52 -15.700 14.571 -2.253 1.00 0.00 C ATOM 766 OD1 ASN A 52 -14.904 15.301 -1.660 1.00 0.00 O ATOM 767 ND2 ASN A 52 -16.069 14.786 -3.510 1.00 0.00 N ATOM 0 H ASN A 52 -13.896 12.356 -1.572 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.612 13.656 0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.381 12.542 -2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.328 13.606 -1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.690 15.582 -4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.731 14.155 -3.962 1.00 0.00 H new ATOM 774 N ASP A 53 -17.186 11.614 0.813 1.00 0.00 N ATOM 775 CA ASP A 53 -17.800 10.404 1.349 1.00 0.00 C ATOM 776 C ASP A 53 -18.028 9.376 0.246 1.00 0.00 C ATOM 777 O ASP A 53 -18.272 8.201 0.519 1.00 0.00 O ATOM 778 CB ASP A 53 -19.126 10.739 2.034 1.00 0.00 C ATOM 779 CG ASP A 53 -18.944 11.639 3.240 1.00 0.00 C ATOM 780 OD1 ASP A 53 -17.970 11.431 3.993 1.00 0.00 O ATOM 781 OD2 ASP A 53 -19.776 12.550 3.432 1.00 0.00 O ATOM 0 H ASP A 53 -17.718 12.468 0.983 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.119 9.976 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.789 11.225 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.615 9.815 2.344 1.00 0.00 H new ATOM 786 N SER A 54 -17.948 9.827 -1.002 1.00 0.00 N ATOM 787 CA SER A 54 -18.151 8.948 -2.147 1.00 0.00 C ATOM 788 C SER A 54 -16.818 8.421 -2.671 1.00 0.00 C ATOM 789 O SER A 54 -16.761 7.369 -3.306 1.00 0.00 O ATOM 790 CB SER A 54 -18.892 9.689 -3.262 1.00 0.00 C ATOM 791 OG SER A 54 -20.225 9.980 -2.882 1.00 0.00 O ATOM 0 H SER A 54 -17.744 10.796 -1.246 1.00 0.00 H new ATOM 0 HA SER A 54 -18.754 8.101 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.368 10.615 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.893 9.083 -4.168 1.00 0.00 H new ATOM 0 HG SER A 54 -20.677 10.455 -3.611 1.00 0.00 H new ATOM 797 N GLU A 55 -15.748 9.162 -2.398 1.00 0.00 N ATOM 798 CA GLU A 55 -14.415 8.770 -2.842 1.00 0.00 C ATOM 799 C GLU A 55 -13.836 7.687 -1.936 1.00 0.00 C ATOM 800 O GLU A 55 -13.112 6.802 -2.391 1.00 0.00 O ATOM 801 CB GLU A 55 -13.484 9.983 -2.864 1.00 0.00 C ATOM 802 CG GLU A 55 -13.731 10.920 -4.035 1.00 0.00 C ATOM 803 CD GLU A 55 -13.065 10.446 -5.312 1.00 0.00 C ATOM 804 OE1 GLU A 55 -12.949 9.216 -5.499 1.00 0.00 O ATOM 805 OE2 GLU A 55 -12.659 11.303 -6.124 1.00 0.00 O ATOM 0 H GLU A 55 -15.778 10.036 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.500 8.368 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.603 10.539 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.451 9.637 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.804 11.012 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.361 11.914 -3.784 1.00 0.00 H new ATOM 812 N LYS A 56 -14.161 7.764 -0.650 1.00 0.00 N ATOM 813 CA LYS A 56 -13.676 6.792 0.322 1.00 0.00 C ATOM 814 C LYS A 56 -14.498 5.509 0.266 1.00 0.00 C ATOM 815 O LYS A 56 -14.059 4.459 0.734 1.00 0.00 O ATOM 816 CB LYS A 56 -13.727 7.382 1.733 1.00 0.00 C ATOM 817 CG LYS A 56 -12.899 8.645 1.896 1.00 0.00 C ATOM 818 CD LYS A 56 -13.165 9.319 3.231 1.00 0.00 C ATOM 819 CE LYS A 56 -12.557 10.711 3.284 1.00 0.00 C ATOM 820 NZ LYS A 56 -13.459 11.734 2.686 1.00 0.00 N ATOM 0 H LYS A 56 -14.759 8.491 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.643 6.551 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.764 7.602 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.376 6.634 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.840 8.399 1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.127 9.338 1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.240 9.384 3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.753 8.710 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.345 10.975 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.605 10.712 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.909 12.583 2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.897 11.350 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.202 11.984 3.370 1.00 0.00 H new ATOM 834 N GLN A 57 -15.692 5.601 -0.312 1.00 0.00 N ATOM 835 CA GLN A 57 -16.574 4.446 -0.430 1.00 0.00 C ATOM 836 C GLN A 57 -15.812 3.229 -0.943 1.00 0.00 C ATOM 837 O GLN A 57 -15.762 2.181 -0.299 1.00 0.00 O ATOM 838 CB GLN A 57 -17.742 4.764 -1.366 1.00 0.00 C ATOM 839 CG GLN A 57 -18.976 5.281 -0.645 1.00 0.00 C ATOM 840 CD GLN A 57 -19.664 4.209 0.177 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.395 3.374 -0.358 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.434 4.225 1.484 1.00 0.00 N ATOM 0 H GLN A 57 -16.070 6.463 -0.705 1.00 0.00 H new ATOM 0 HA GLN A 57 -16.964 4.215 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.420 5.507 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.006 3.865 -1.922 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.692 6.107 0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.679 5.680 -1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.821 4.935 1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.870 3.527 2.087 1.00 0.00 H new ATOM 851 N PRO A 58 -15.204 3.368 -2.130 1.00 0.00 N ATOM 852 CA PRO A 58 -14.433 2.290 -2.756 1.00 0.00 C ATOM 853 C PRO A 58 -13.133 2.000 -2.013 1.00 0.00 C ATOM 854 O PRO A 58 -12.461 1.005 -2.283 1.00 0.00 O ATOM 855 CB PRO A 58 -14.139 2.831 -4.157 1.00 0.00 C ATOM 856 CG PRO A 58 -14.187 4.312 -4.009 1.00 0.00 C ATOM 857 CD PRO A 58 -15.221 4.589 -2.953 1.00 0.00 C ATOM 0 HA PRO A 58 -14.978 1.346 -2.755 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.163 2.500 -4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.877 2.481 -4.879 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.214 4.707 -3.716 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.454 4.790 -4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.969 5.473 -2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.204 4.766 -3.390 1.00 0.00 H new ATOM 865 N TYR A 59 -12.784 2.876 -1.077 1.00 0.00 N ATOM 866 CA TYR A 59 -11.563 2.715 -0.297 1.00 0.00 C ATOM 867 C TYR A 59 -11.852 2.018 1.029 1.00 0.00 C ATOM 868 O TYR A 59 -10.978 1.367 1.604 1.00 0.00 O ATOM 869 CB TYR A 59 -10.914 4.076 -0.040 1.00 0.00 C ATOM 870 CG TYR A 59 -10.006 4.535 -1.159 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.888 3.794 -1.521 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.267 5.710 -1.854 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.056 4.210 -2.542 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.441 6.133 -2.877 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.337 5.380 -3.217 1.00 0.00 C ATOM 876 OH TYR A 59 -7.511 5.797 -4.236 1.00 0.00 O ATOM 0 H TYR A 59 -13.330 3.705 -0.840 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.875 2.094 -0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.697 4.820 0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.340 4.026 0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.666 2.877 -0.995 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.130 6.302 -1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.190 3.623 -2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.659 7.048 -3.408 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.849 6.638 -4.608 1.00 0.00 H new ATOM 886 N ILE A 60 -13.083 2.159 1.508 1.00 0.00 N ATOM 887 CA ILE A 60 -13.488 1.542 2.765 1.00 0.00 C ATOM 888 C ILE A 60 -13.922 0.096 2.553 1.00 0.00 C ATOM 889 O ILE A 60 -13.615 -0.782 3.360 1.00 0.00 O ATOM 890 CB ILE A 60 -14.641 2.320 3.428 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.182 3.730 3.805 1.00 0.00 C ATOM 892 CG2 ILE A 60 -15.145 1.575 4.655 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.323 4.670 4.126 1.00 0.00 C ATOM 0 H ILE A 60 -13.817 2.695 1.045 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.619 1.565 3.422 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.462 2.404 2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.518 3.669 4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.599 4.146 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.959 2.137 5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.505 0.589 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.332 1.464 5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.924 5.651 4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -15.975 4.761 3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.893 4.277 4.968 1.00 0.00 H new ATOM 905 N THR A 61 -14.638 -0.147 1.459 1.00 0.00 N ATOM 906 CA THR A 61 -15.113 -1.487 1.139 1.00 0.00 C ATOM 907 C THR A 61 -13.951 -2.463 0.991 1.00 0.00 C ATOM 908 O THR A 61 -14.017 -3.599 1.461 1.00 0.00 O ATOM 909 CB THR A 61 -15.943 -1.494 -0.159 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.814 -0.358 -0.189 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.762 -2.771 -0.271 1.00 0.00 C ATOM 0 H THR A 61 -14.901 0.567 0.780 1.00 0.00 H new ATOM 0 HA THR A 61 -15.746 -1.804 1.968 1.00 0.00 H new ATOM 0 HB THR A 61 -15.256 -1.447 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.293 0.449 -0.385 1.00 0.00 H new ATOM 0 HG21 THR A 61 -17.340 -2.753 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.094 -3.632 -0.277 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.440 -2.844 0.579 1.00 0.00 H new ATOM 919 N LYS A 62 -12.887 -2.012 0.336 1.00 0.00 N ATOM 920 CA LYS A 62 -11.708 -2.844 0.127 1.00 0.00 C ATOM 921 C LYS A 62 -11.134 -3.318 1.458 1.00 0.00 C ATOM 922 O LYS A 62 -10.640 -4.440 1.568 1.00 0.00 O ATOM 923 CB LYS A 62 -10.643 -2.070 -0.653 1.00 0.00 C ATOM 924 CG LYS A 62 -9.369 -2.861 -0.894 1.00 0.00 C ATOM 925 CD LYS A 62 -8.601 -2.329 -2.092 1.00 0.00 C ATOM 926 CE LYS A 62 -7.295 -3.082 -2.295 1.00 0.00 C ATOM 927 NZ LYS A 62 -6.172 -2.457 -1.542 1.00 0.00 N ATOM 0 H LYS A 62 -12.817 -1.074 -0.060 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.009 -3.718 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.058 -1.765 -1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.397 -1.158 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.738 -2.815 -0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.616 -3.910 -1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.216 -2.416 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.393 -1.268 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.418 -4.116 -1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.051 -3.106 -3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.443 -2.136 -2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.528 -1.644 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.761 -3.155 -0.890 1.00 0.00 H new ATOM 941 N ALA A 63 -11.203 -2.456 2.468 1.00 0.00 N ATOM 942 CA ALA A 63 -10.693 -2.788 3.792 1.00 0.00 C ATOM 943 C ALA A 63 -11.528 -3.886 4.443 1.00 0.00 C ATOM 944 O ALA A 63 -10.992 -4.793 5.078 1.00 0.00 O ATOM 945 CB ALA A 63 -10.668 -1.549 4.674 1.00 0.00 C ATOM 0 H ALA A 63 -11.607 -1.523 2.394 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.675 -3.161 3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.285 -1.812 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.023 -0.795 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.678 -1.151 4.772 1.00 0.00 H new ATOM 951 N ALA A 64 -12.844 -3.796 4.280 1.00 0.00 N ATOM 952 CA ALA A 64 -13.753 -4.782 4.851 1.00 0.00 C ATOM 953 C ALA A 64 -13.370 -6.195 4.423 1.00 0.00 C ATOM 954 O ALA A 64 -13.578 -7.157 5.162 1.00 0.00 O ATOM 955 CB ALA A 64 -15.187 -4.476 4.444 1.00 0.00 C ATOM 0 H ALA A 64 -13.304 -3.051 3.757 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.675 -4.726 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.855 -5.220 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.464 -3.486 4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.270 -4.503 3.358 1.00 0.00 H new