USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 420 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 38 MET CE :methyl -157:sc= -1.2 (180deg=-1.86!) USER MOD Set 1.2: A 48 MET CE :methyl 166:sc= -5.16! (180deg=-5.74!) USER MOD Set 2.1: A 20 THR OG1 : rot 86:sc= 0.528 USER MOD Set 2.2: A 51 TYR OH : rot -127:sc= 0.471 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= -3.27! USER MOD Set 3.2: A 14 GLN : amide:sc= -0.649 K(o=-3.9,f=-3.3) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.783 (180deg=-1.1) USER MOD Single : A 18 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.8) USER MOD Single : A 22 SER OG : rot 80:sc= 1.23 USER MOD Single : A 24 LYS NZ :NH3+ 143:sc= 1.24 (180deg=0.528) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= -0.0261 (180deg=-0.202) USER MOD Single : A 30 THR OG1 : rot -66:sc= 1.29 USER MOD Single : A 31 TYR OH : rot -81:sc= 0.0548 USER MOD Single : A 39 SER OG : rot 21:sc= 1.22 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.073) USER MOD Single : A 52 TYR OH : rot -107:sc= 0.0152 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 139 N LEU A 10 -10.727 7.952 5.287 1.00 0.00 N ATOM 140 CA LEU A 10 -11.221 7.687 3.967 1.00 0.00 C ATOM 141 C LEU A 10 -11.981 6.381 3.982 1.00 0.00 C ATOM 142 O LEU A 10 -12.151 5.779 5.040 1.00 0.00 O ATOM 143 CB LEU A 10 -10.054 7.592 2.946 1.00 0.00 C ATOM 144 CG LEU A 10 -8.809 8.497 3.148 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.850 7.901 4.176 1.00 0.00 C ATOM 146 CD2 LEU A 10 -8.080 8.712 1.834 1.00 0.00 C ATOM 0 HA LEU A 10 -11.875 8.505 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.711 6.557 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.461 7.807 1.958 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.163 9.458 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.989 8.559 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.361 7.797 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.514 6.921 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.211 9.349 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.754 7.751 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.750 9.191 1.120 1.00 0.00 H new ATOM 158 N THR A 11 -12.418 5.929 2.837 1.00 0.00 N ATOM 159 CA THR A 11 -13.123 4.685 2.786 1.00 0.00 C ATOM 160 C THR A 11 -12.163 3.627 2.305 1.00 0.00 C ATOM 161 O THR A 11 -11.042 3.954 1.875 1.00 0.00 O ATOM 162 CB THR A 11 -14.374 4.721 1.854 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.958 4.670 0.482 1.00 0.00 O ATOM 164 CG2 THR A 11 -15.165 6.006 2.050 1.00 0.00 C ATOM 0 H THR A 11 -12.299 6.399 1.940 1.00 0.00 H new ATOM 0 HA THR A 11 -13.496 4.468 3.787 1.00 0.00 H new ATOM 0 HB THR A 11 -14.998 3.863 2.105 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.746 4.691 -0.100 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.031 6.005 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.499 6.073 3.085 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.532 6.862 1.817 1.00 0.00 H new ATOM 172 N PHE A 12 -12.596 2.386 2.340 1.00 0.00 N ATOM 173 CA PHE A 12 -11.759 1.290 1.920 1.00 0.00 C ATOM 174 C PHE A 12 -11.396 1.426 0.444 1.00 0.00 C ATOM 175 O PHE A 12 -10.276 1.166 0.020 1.00 0.00 O ATOM 176 CB PHE A 12 -12.434 -0.056 2.219 1.00 0.00 C ATOM 177 CG PHE A 12 -11.620 -1.269 1.840 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.062 -2.160 0.875 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.415 -1.512 2.447 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.308 -3.269 0.534 1.00 0.00 C ATOM 181 CE2 PHE A 12 -9.660 -2.613 2.109 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.099 -3.491 1.160 1.00 0.00 C ATOM 0 H PHE A 12 -13.526 2.113 2.656 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.831 1.322 2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.659 -0.105 3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.386 -0.095 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.007 -1.987 0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.052 -0.830 3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.664 -3.957 -0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.713 -2.783 2.599 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.503 -4.354 0.901 1.00 0.00 H new ATOM 192 N ASP A 13 -12.380 1.924 -0.296 1.00 0.00 N ATOM 193 CA ASP A 13 -12.217 2.243 -1.713 1.00 0.00 C ATOM 194 C ASP A 13 -11.232 3.349 -1.920 1.00 0.00 C ATOM 195 O ASP A 13 -10.368 3.267 -2.801 1.00 0.00 O ATOM 196 CB ASP A 13 -13.516 2.634 -2.367 1.00 0.00 C ATOM 197 CG ASP A 13 -13.359 2.741 -3.869 1.00 0.00 C ATOM 198 OD1 ASP A 13 -13.142 1.694 -4.524 1.00 0.00 O ATOM 199 OD2 ASP A 13 -13.420 3.848 -4.413 1.00 0.00 O ATOM 0 H ASP A 13 -13.313 2.119 0.067 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.848 1.329 -2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -14.283 1.896 -2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.857 3.588 -1.965 1.00 0.00 H new ATOM 204 N GLN A 14 -11.299 4.349 -1.053 1.00 0.00 N ATOM 205 CA GLN A 14 -10.475 5.514 -1.223 1.00 0.00 C ATOM 206 C GLN A 14 -9.045 5.143 -0.905 1.00 0.00 C ATOM 207 O GLN A 14 -8.102 5.603 -1.537 1.00 0.00 O ATOM 208 CB GLN A 14 -10.910 6.686 -0.340 1.00 0.00 C ATOM 209 CG GLN A 14 -12.385 7.042 -0.411 1.00 0.00 C ATOM 210 CD GLN A 14 -12.949 7.255 -1.801 1.00 0.00 C ATOM 211 OE1 GLN A 14 -14.127 6.993 -2.036 1.00 0.00 O ATOM 212 NE2 GLN A 14 -12.155 7.733 -2.708 1.00 0.00 N ATOM 0 H GLN A 14 -11.911 4.369 -0.237 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.576 5.845 -2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.659 6.452 0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.328 7.564 -0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.954 6.248 0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.548 7.950 0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.183 7.939 -2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.503 7.903 -3.652 1.00 0.00 H new ATOM 221 N VAL A 15 -8.906 4.294 0.095 1.00 0.00 N ATOM 222 CA VAL A 15 -7.618 3.882 0.561 1.00 0.00 C ATOM 223 C VAL A 15 -7.014 2.955 -0.440 1.00 0.00 C ATOM 224 O VAL A 15 -5.811 2.998 -0.691 1.00 0.00 O ATOM 225 CB VAL A 15 -7.627 3.292 1.992 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.274 2.702 2.301 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.893 4.395 2.992 1.00 0.00 C ATOM 0 H VAL A 15 -9.688 3.877 0.599 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.994 4.771 0.651 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.401 2.527 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.280 2.286 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.049 1.912 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.514 3.480 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.899 3.979 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.111 5.151 2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.860 4.851 2.782 1.00 0.00 H new ATOM 237 N LYS A 16 -7.834 2.127 -1.033 1.00 0.00 N ATOM 238 CA LYS A 16 -7.398 1.305 -2.106 1.00 0.00 C ATOM 239 C LYS A 16 -6.797 2.151 -3.197 1.00 0.00 C ATOM 240 O LYS A 16 -5.696 1.910 -3.610 1.00 0.00 O ATOM 241 CB LYS A 16 -8.545 0.458 -2.655 1.00 0.00 C ATOM 242 CG LYS A 16 -8.789 -0.833 -1.893 1.00 0.00 C ATOM 243 CD LYS A 16 -9.807 -1.780 -2.567 1.00 0.00 C ATOM 244 CE LYS A 16 -11.223 -1.203 -2.672 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.430 -0.343 -3.866 1.00 0.00 N ATOM 0 H LYS A 16 -8.815 2.012 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.635 0.626 -1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.459 1.052 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.337 0.217 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.841 -1.359 -1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.143 -0.590 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.451 -2.026 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.847 -2.713 -2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.939 -2.024 -2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.437 -0.622 -1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.294 0.222 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.614 0.292 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.527 -0.941 -4.712 1.00 0.00 H new ATOM 259 N GLU A 17 -7.490 3.187 -3.609 1.00 0.00 N ATOM 260 CA GLU A 17 -6.943 4.064 -4.621 1.00 0.00 C ATOM 261 C GLU A 17 -5.673 4.794 -4.175 1.00 0.00 C ATOM 262 O GLU A 17 -4.834 5.117 -5.016 1.00 0.00 O ATOM 263 CB GLU A 17 -7.956 5.038 -5.190 1.00 0.00 C ATOM 264 CG GLU A 17 -9.082 4.369 -5.936 1.00 0.00 C ATOM 265 CD GLU A 17 -9.845 5.322 -6.801 1.00 0.00 C ATOM 266 OE1 GLU A 17 -9.516 5.437 -7.990 1.00 0.00 O ATOM 267 OE2 GLU A 17 -10.804 5.955 -6.328 1.00 0.00 O ATOM 0 H GLU A 17 -8.417 3.441 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.658 3.391 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.373 5.633 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.446 5.729 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.678 3.567 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.763 3.908 -5.221 1.00 0.00 H new ATOM 274 N GLN A 18 -5.496 5.033 -2.854 1.00 0.00 N ATOM 275 CA GLN A 18 -4.314 5.734 -2.409 1.00 0.00 C ATOM 276 C GLN A 18 -3.142 4.815 -2.567 1.00 0.00 C ATOM 277 O GLN A 18 -2.124 5.146 -3.185 1.00 0.00 O ATOM 278 CB GLN A 18 -4.457 6.357 -0.988 1.00 0.00 C ATOM 279 CG GLN A 18 -4.275 5.433 0.188 1.00 0.00 C ATOM 280 CD GLN A 18 -4.376 6.136 1.525 1.00 0.00 C ATOM 281 OE1 GLN A 18 -3.767 5.728 2.484 1.00 0.00 O ATOM 282 NE2 GLN A 18 -5.122 7.204 1.592 1.00 0.00 N ATOM 0 H GLN A 18 -6.143 4.754 -2.117 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.154 6.612 -3.035 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.731 7.165 -0.898 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.447 6.808 -0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.027 4.646 0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.301 4.949 0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.626 7.527 0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.201 7.716 2.470 1.00 0.00 H new ATOM 291 N LEU A 19 -3.331 3.643 -2.057 1.00 0.00 N ATOM 292 CA LEU A 19 -2.363 2.620 -2.047 1.00 0.00 C ATOM 293 C LEU A 19 -2.058 2.098 -3.430 1.00 0.00 C ATOM 294 O LEU A 19 -0.900 1.854 -3.759 1.00 0.00 O ATOM 295 CB LEU A 19 -2.829 1.534 -1.143 1.00 0.00 C ATOM 296 CG LEU A 19 -2.612 1.748 0.352 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.185 0.598 1.128 1.00 0.00 C ATOM 298 CD2 LEU A 19 -1.129 1.910 0.673 1.00 0.00 C ATOM 0 H LEU A 19 -4.210 3.369 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.424 3.031 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.895 1.382 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.325 0.611 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.125 2.665 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.024 0.762 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.254 0.522 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.693 -0.326 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.003 2.061 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.590 1.013 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.733 2.772 0.136 1.00 0.00 H new ATOM 310 N THR A 20 -3.089 1.965 -4.235 1.00 0.00 N ATOM 311 CA THR A 20 -2.950 1.527 -5.605 1.00 0.00 C ATOM 312 C THR A 20 -2.028 2.461 -6.347 1.00 0.00 C ATOM 313 O THR A 20 -1.015 2.029 -6.883 1.00 0.00 O ATOM 314 CB THR A 20 -4.337 1.485 -6.303 1.00 0.00 C ATOM 315 OG1 THR A 20 -5.125 0.401 -5.782 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.233 1.400 -7.829 1.00 0.00 C ATOM 0 H THR A 20 -4.051 2.159 -3.956 1.00 0.00 H new ATOM 0 HA THR A 20 -2.527 0.523 -5.612 1.00 0.00 H new ATOM 0 HB THR A 20 -4.835 2.429 -6.081 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.595 0.697 -4.974 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.233 1.374 -8.261 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.698 2.271 -8.206 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.694 0.494 -8.107 1.00 0.00 H new ATOM 324 N GLU A 21 -2.318 3.740 -6.268 1.00 0.00 N ATOM 325 CA GLU A 21 -1.551 4.734 -6.984 1.00 0.00 C ATOM 326 C GLU A 21 -0.116 4.757 -6.492 1.00 0.00 C ATOM 327 O GLU A 21 0.824 4.796 -7.270 1.00 0.00 O ATOM 328 CB GLU A 21 -2.202 6.087 -6.825 1.00 0.00 C ATOM 329 CG GLU A 21 -1.474 7.217 -7.534 1.00 0.00 C ATOM 330 CD GLU A 21 -2.193 8.526 -7.413 1.00 0.00 C ATOM 331 OE1 GLU A 21 -3.287 8.660 -8.003 1.00 0.00 O ATOM 332 OE2 GLU A 21 -1.678 9.461 -6.749 1.00 0.00 O ATOM 0 H GLU A 21 -3.085 4.118 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.533 4.478 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.223 6.033 -7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.269 6.323 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.471 7.317 -7.118 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.358 6.966 -8.588 1.00 0.00 H new ATOM 339 N SER A 22 0.024 4.644 -5.199 1.00 0.00 N ATOM 340 CA SER A 22 1.326 4.701 -4.548 1.00 0.00 C ATOM 341 C SER A 22 2.211 3.529 -4.979 1.00 0.00 C ATOM 342 O SER A 22 3.402 3.703 -5.269 1.00 0.00 O ATOM 343 CB SER A 22 1.153 4.752 -3.030 1.00 0.00 C ATOM 344 OG SER A 22 0.370 5.891 -2.661 1.00 0.00 O ATOM 0 H SER A 22 -0.757 4.509 -4.557 1.00 0.00 H new ATOM 0 HA SER A 22 1.833 5.614 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.669 3.840 -2.681 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.129 4.800 -2.547 1.00 0.00 H new ATOM 0 HG SER A 22 -0.579 5.698 -2.810 1.00 0.00 H new ATOM 350 N GLY A 23 1.613 2.350 -5.073 1.00 0.00 N ATOM 351 CA GLY A 23 2.318 1.180 -5.533 1.00 0.00 C ATOM 352 C GLY A 23 2.684 1.304 -6.985 1.00 0.00 C ATOM 353 O GLY A 23 3.714 0.851 -7.398 1.00 0.00 O ATOM 0 H GLY A 23 0.635 2.186 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.220 1.038 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.697 0.296 -5.386 1.00 0.00 H new ATOM 357 N LYS A 24 1.815 1.941 -7.736 1.00 0.00 N ATOM 358 CA LYS A 24 2.029 2.174 -9.157 1.00 0.00 C ATOM 359 C LYS A 24 3.193 3.122 -9.420 1.00 0.00 C ATOM 360 O LYS A 24 3.831 3.062 -10.473 1.00 0.00 O ATOM 361 CB LYS A 24 0.752 2.694 -9.780 1.00 0.00 C ATOM 362 CG LYS A 24 -0.391 1.682 -9.729 1.00 0.00 C ATOM 363 CD LYS A 24 -0.249 0.559 -10.763 1.00 0.00 C ATOM 364 CE LYS A 24 -0.479 1.082 -12.160 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.181 0.097 -13.221 1.00 0.00 N ATOM 0 H LYS A 24 0.935 2.316 -7.383 1.00 0.00 H new ATOM 0 HA LYS A 24 2.297 1.224 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.447 3.605 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.944 2.965 -10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.437 1.245 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.335 2.201 -9.893 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.746 0.119 -10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.964 -0.234 -10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.518 1.399 -12.253 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.140 1.966 -12.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.869 0.201 -13.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.779 0.261 -13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.243 -0.864 -12.829 1.00 0.00 H new ATOM 379 N LYS A 25 3.440 4.022 -8.487 1.00 0.00 N ATOM 380 CA LYS A 25 4.531 4.963 -8.580 1.00 0.00 C ATOM 381 C LYS A 25 5.847 4.280 -8.281 1.00 0.00 C ATOM 382 O LYS A 25 6.881 4.588 -8.877 1.00 0.00 O ATOM 383 CB LYS A 25 4.308 6.109 -7.589 1.00 0.00 C ATOM 384 CG LYS A 25 2.979 6.836 -7.759 1.00 0.00 C ATOM 385 CD LYS A 25 2.774 7.922 -6.713 1.00 0.00 C ATOM 386 CE LYS A 25 3.730 9.088 -6.899 1.00 0.00 C ATOM 387 NZ LYS A 25 3.493 9.808 -8.178 1.00 0.00 N ATOM 0 H LYS A 25 2.883 4.118 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 25 4.566 5.359 -9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.365 5.713 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.119 6.829 -7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.936 7.280 -8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.163 6.116 -7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.747 8.285 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.912 7.497 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.619 9.783 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.756 8.722 -6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.005 10.713 -8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.833 9.227 -8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.475 9.988 -8.292 1.00 0.00 H new ATOM 401 N ARG A 26 5.800 3.386 -7.336 1.00 0.00 N ATOM 402 CA ARG A 26 6.989 2.705 -6.863 1.00 0.00 C ATOM 403 C ARG A 26 7.323 1.472 -7.667 1.00 0.00 C ATOM 404 O ARG A 26 8.465 1.238 -8.055 1.00 0.00 O ATOM 405 CB ARG A 26 6.802 2.278 -5.427 1.00 0.00 C ATOM 406 CG ARG A 26 6.492 3.393 -4.479 1.00 0.00 C ATOM 407 CD ARG A 26 6.168 2.840 -3.114 1.00 0.00 C ATOM 408 NE ARG A 26 7.275 2.106 -2.479 1.00 0.00 N ATOM 409 CZ ARG A 26 7.124 1.409 -1.337 1.00 0.00 C ATOM 410 NH1 ARG A 26 5.967 1.427 -0.715 1.00 0.00 N ATOM 411 NH2 ARG A 26 8.105 0.702 -0.835 1.00 0.00 N ATOM 0 H ARG A 26 4.940 3.103 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 26 7.807 3.418 -6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.996 1.546 -5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.709 1.775 -5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.343 4.071 -4.412 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.650 3.975 -4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.872 3.662 -2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.308 2.175 -3.199 1.00 0.00 H new ATOM 0 HE ARG A 26 8.193 2.126 -2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.191 1.967 -1.098 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.845 0.901 0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.007 0.671 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.967 0.182 0.032 1.00 0.00 H new ATOM 425 N GLY A 27 6.292 0.689 -7.879 1.00 0.00 N ATOM 426 CA GLY A 27 6.383 -0.597 -8.479 1.00 0.00 C ATOM 427 C GLY A 27 6.261 -1.637 -7.401 1.00 0.00 C ATOM 428 O GLY A 27 6.237 -2.844 -7.666 1.00 0.00 O ATOM 0 H GLY A 27 5.339 0.950 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.594 -0.726 -9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.333 -0.704 -9.003 1.00 0.00 H new ATOM 432 N VAL A 28 6.103 -1.165 -6.176 1.00 0.00 N ATOM 433 CA VAL A 28 6.133 -2.023 -5.039 1.00 0.00 C ATOM 434 C VAL A 28 5.407 -1.391 -3.859 1.00 0.00 C ATOM 435 O VAL A 28 5.175 -0.177 -3.838 1.00 0.00 O ATOM 436 CB VAL A 28 7.607 -2.286 -4.674 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.292 -1.097 -4.042 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.783 -3.509 -3.878 1.00 0.00 C ATOM 0 H VAL A 28 5.952 -0.180 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 28 5.626 -2.959 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 28 8.112 -2.451 -5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.326 -1.353 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.272 -0.255 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.772 -0.823 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.840 -3.645 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.219 -3.423 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.421 -4.367 -4.444 1.00 0.00 H new ATOM 448 N LEU A 29 5.012 -2.233 -2.938 1.00 0.00 N ATOM 449 CA LEU A 29 4.406 -1.864 -1.684 1.00 0.00 C ATOM 450 C LEU A 29 4.699 -2.966 -0.679 1.00 0.00 C ATOM 451 O LEU A 29 4.700 -4.129 -1.047 1.00 0.00 O ATOM 452 CB LEU A 29 2.880 -1.750 -1.811 1.00 0.00 C ATOM 453 CG LEU A 29 2.285 -0.535 -2.520 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.789 -0.714 -2.665 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.553 0.729 -1.736 1.00 0.00 C ATOM 0 H LEU A 29 5.109 -3.242 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 29 4.810 -0.900 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.526 -2.640 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.463 -1.781 -0.804 1.00 0.00 H new ATOM 0 HG LEU A 29 2.751 -0.449 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.366 0.154 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.585 -1.611 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.337 -0.814 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.120 1.581 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.104 0.645 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.629 0.873 -1.635 1.00 0.00 H new ATOM 467 N THR A 30 5.010 -2.619 0.541 1.00 0.00 N ATOM 468 CA THR A 30 5.125 -3.619 1.586 1.00 0.00 C ATOM 469 C THR A 30 3.737 -3.993 2.089 1.00 0.00 C ATOM 470 O THR A 30 2.841 -3.144 2.119 1.00 0.00 O ATOM 471 CB THR A 30 5.984 -3.153 2.790 1.00 0.00 C ATOM 472 OG1 THR A 30 5.500 -1.935 3.347 1.00 0.00 O ATOM 473 CG2 THR A 30 7.421 -3.006 2.408 1.00 0.00 C ATOM 0 H THR A 30 5.188 -1.661 0.841 1.00 0.00 H new ATOM 0 HA THR A 30 5.628 -4.477 1.140 1.00 0.00 H new ATOM 0 HB THR A 30 5.903 -3.929 3.551 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.617 -1.209 2.699 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.996 -2.678 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.805 -3.965 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.512 -2.268 1.611 1.00 0.00 H new ATOM 481 N TYR A 31 3.562 -5.242 2.491 1.00 0.00 N ATOM 482 CA TYR A 31 2.271 -5.725 2.994 1.00 0.00 C ATOM 483 C TYR A 31 1.754 -4.882 4.152 1.00 0.00 C ATOM 484 O TYR A 31 0.580 -4.527 4.199 1.00 0.00 O ATOM 485 CB TYR A 31 2.363 -7.176 3.471 1.00 0.00 C ATOM 486 CG TYR A 31 2.734 -8.180 2.417 1.00 0.00 C ATOM 487 CD1 TYR A 31 3.975 -8.785 2.418 1.00 0.00 C ATOM 488 CD2 TYR A 31 1.840 -8.525 1.424 1.00 0.00 C ATOM 489 CE1 TYR A 31 4.319 -9.705 1.456 1.00 0.00 C ATOM 490 CE2 TYR A 31 2.172 -9.445 0.461 1.00 0.00 C ATOM 491 CZ TYR A 31 3.412 -10.029 0.479 1.00 0.00 C ATOM 492 OH TYR A 31 3.747 -10.939 -0.482 1.00 0.00 O ATOM 0 H TYR A 31 4.298 -5.948 2.481 1.00 0.00 H new ATOM 0 HA TYR A 31 1.580 -5.650 2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.097 -7.230 4.275 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.402 -7.462 3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.688 -8.531 3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.864 -8.064 1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.294 -10.168 1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.460 -9.707 -0.307 1.00 0.00 H new ATOM 0 HH TYR A 31 4.286 -10.501 -1.173 1.00 0.00 H new ATOM 502 N GLU A 32 2.634 -4.509 5.055 1.00 0.00 N ATOM 503 CA GLU A 32 2.189 -3.849 6.251 1.00 0.00 C ATOM 504 C GLU A 32 2.012 -2.346 6.142 1.00 0.00 C ATOM 505 O GLU A 32 1.394 -1.746 7.012 1.00 0.00 O ATOM 506 CB GLU A 32 2.977 -4.295 7.456 1.00 0.00 C ATOM 507 CG GLU A 32 2.769 -5.773 7.719 1.00 0.00 C ATOM 508 CD GLU A 32 3.587 -6.293 8.843 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.811 -6.441 8.672 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.018 -6.609 9.907 1.00 0.00 O ATOM 0 H GLU A 32 3.642 -4.650 4.983 1.00 0.00 H new ATOM 0 HA GLU A 32 1.163 -4.186 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.037 -4.095 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.671 -3.719 8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.715 -5.951 7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.010 -6.333 6.815 1.00 0.00 H new ATOM 517 N GLU A 33 2.497 -1.726 5.069 1.00 0.00 N ATOM 518 CA GLU A 33 2.190 -0.312 4.878 1.00 0.00 C ATOM 519 C GLU A 33 0.795 -0.249 4.288 1.00 0.00 C ATOM 520 O GLU A 33 0.030 0.697 4.510 1.00 0.00 O ATOM 521 CB GLU A 33 3.205 0.394 3.978 1.00 0.00 C ATOM 522 CG GLU A 33 3.165 -0.018 2.522 1.00 0.00 C ATOM 523 CD GLU A 33 4.242 0.631 1.733 1.00 0.00 C ATOM 524 OE1 GLU A 33 4.095 1.792 1.352 1.00 0.00 O ATOM 525 OE2 GLU A 33 5.298 -0.020 1.481 1.00 0.00 O ATOM 0 H GLU A 33 3.078 -2.156 4.349 1.00 0.00 H new ATOM 0 HA GLU A 33 2.242 0.213 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.037 1.469 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.206 0.205 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.263 -1.101 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.196 0.244 2.097 1.00 0.00 H new ATOM 532 N ILE A 34 0.459 -1.321 3.576 1.00 0.00 N ATOM 533 CA ILE A 34 -0.843 -1.508 3.023 1.00 0.00 C ATOM 534 C ILE A 34 -1.804 -1.744 4.152 1.00 0.00 C ATOM 535 O ILE A 34 -2.871 -1.130 4.208 1.00 0.00 O ATOM 536 CB ILE A 34 -0.871 -2.696 2.037 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.002 -2.382 0.827 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.303 -3.035 1.609 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.133 -3.521 -0.140 1.00 0.00 C ATOM 0 H ILE A 34 1.105 -2.084 3.374 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.128 -0.618 2.462 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.471 -3.575 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.414 -1.521 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.995 -2.096 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.286 -3.875 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.892 -3.301 2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.751 -2.170 1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.768 -3.220 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.579 -4.378 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.853 -3.794 -0.516 1.00 0.00 H new ATOM 551 N ALA A 35 -1.373 -2.556 5.139 1.00 0.00 N ATOM 552 CA ALA A 35 -2.138 -2.899 6.292 1.00 0.00 C ATOM 553 C ALA A 35 -2.334 -1.695 7.176 1.00 0.00 C ATOM 554 O ALA A 35 -3.340 -1.566 7.827 1.00 0.00 O ATOM 555 CB ALA A 35 -1.487 -4.042 7.064 1.00 0.00 C ATOM 0 H ALA A 35 -0.450 -2.990 5.128 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.118 -3.240 5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.092 -4.282 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.413 -4.919 6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.489 -3.743 7.385 1.00 0.00 H new ATOM 561 N GLU A 36 -1.338 -0.796 7.156 1.00 0.00 N ATOM 562 CA GLU A 36 -1.278 0.384 8.012 1.00 0.00 C ATOM 563 C GLU A 36 -2.461 1.272 7.718 1.00 0.00 C ATOM 564 O GLU A 36 -3.211 1.641 8.616 1.00 0.00 O ATOM 565 CB GLU A 36 0.060 1.131 7.764 1.00 0.00 C ATOM 566 CG GLU A 36 0.473 2.220 8.785 1.00 0.00 C ATOM 567 CD GLU A 36 -0.452 3.420 8.874 1.00 0.00 C ATOM 568 OE1 GLU A 36 -0.758 4.021 7.831 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.855 3.807 10.008 1.00 0.00 O ATOM 0 H GLU A 36 -0.538 -0.877 6.528 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.319 0.093 9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.857 0.388 7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.008 1.596 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.540 1.761 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.472 2.572 8.529 1.00 0.00 H new ATOM 576 N ARG A 37 -2.678 1.569 6.444 1.00 0.00 N ATOM 577 CA ARG A 37 -3.793 2.412 6.050 1.00 0.00 C ATOM 578 C ARG A 37 -5.085 1.663 6.305 1.00 0.00 C ATOM 579 O ARG A 37 -6.097 2.233 6.713 1.00 0.00 O ATOM 580 CB ARG A 37 -3.718 2.723 4.565 1.00 0.00 C ATOM 581 CG ARG A 37 -2.399 3.269 4.065 1.00 0.00 C ATOM 582 CD ARG A 37 -2.015 4.579 4.718 1.00 0.00 C ATOM 583 NE ARG A 37 -0.842 5.142 4.053 1.00 0.00 N ATOM 584 CZ ARG A 37 0.405 5.212 4.537 1.00 0.00 C ATOM 585 NH1 ARG A 37 0.701 4.818 5.778 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.350 5.697 3.762 1.00 0.00 N ATOM 0 H ARG A 37 -2.099 1.240 5.671 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.755 3.339 6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.944 1.811 4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.500 3.443 4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.615 2.534 4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.456 3.411 2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.847 5.281 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.803 4.420 5.775 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.989 5.523 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.032 4.452 6.385 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.660 4.883 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.125 6.009 2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.308 5.762 4.106 1.00 0.00 H new ATOM 600 N MET A 38 -5.012 0.360 6.157 1.00 0.00 N ATOM 601 CA MET A 38 -6.161 -0.481 6.337 1.00 0.00 C ATOM 602 C MET A 38 -6.410 -0.780 7.800 1.00 0.00 C ATOM 603 O MET A 38 -7.358 -1.471 8.134 1.00 0.00 O ATOM 604 CB MET A 38 -6.037 -1.780 5.550 1.00 0.00 C ATOM 605 CG MET A 38 -5.907 -1.587 4.058 1.00 0.00 C ATOM 606 SD MET A 38 -7.262 -0.647 3.350 1.00 0.00 S ATOM 607 CE MET A 38 -6.853 -0.746 1.604 1.00 0.00 C ATOM 0 H MET A 38 -4.158 -0.139 5.910 1.00 0.00 H new ATOM 0 HA MET A 38 -7.017 0.072 5.950 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.168 -2.330 5.911 1.00 0.00 H new ATOM 0 HB3 MET A 38 -6.912 -2.399 5.751 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.968 -1.077 3.844 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.857 -2.563 3.574 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.320 0.084 1.073 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.771 -0.694 1.480 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.220 -1.689 1.197 1.00 0.00 H new ATOM 617 N SER A 39 -5.586 -0.228 8.679 1.00 0.00 N ATOM 618 CA SER A 39 -5.753 -0.420 10.105 1.00 0.00 C ATOM 619 C SER A 39 -6.894 0.443 10.610 1.00 0.00 C ATOM 620 O SER A 39 -7.414 0.227 11.692 1.00 0.00 O ATOM 621 CB SER A 39 -4.476 -0.086 10.855 1.00 0.00 C ATOM 622 OG SER A 39 -3.386 -0.883 10.407 1.00 0.00 O ATOM 0 H SER A 39 -4.792 0.359 8.424 1.00 0.00 H new ATOM 0 HA SER A 39 -5.986 -1.470 10.284 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.238 0.969 10.718 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.628 -0.243 11.923 1.00 0.00 H new ATOM 0 HG SER A 39 -3.585 -1.237 9.515 1.00 0.00 H new ATOM 628 N SER A 40 -7.288 1.415 9.801 1.00 0.00 N ATOM 629 CA SER A 40 -8.415 2.252 10.113 1.00 0.00 C ATOM 630 C SER A 40 -9.688 1.400 10.020 1.00 0.00 C ATOM 631 O SER A 40 -10.627 1.567 10.783 1.00 0.00 O ATOM 632 CB SER A 40 -8.472 3.432 9.118 1.00 0.00 C ATOM 633 OG SER A 40 -9.492 4.365 9.449 1.00 0.00 O ATOM 0 H SER A 40 -6.832 1.638 8.916 1.00 0.00 H new ATOM 0 HA SER A 40 -8.325 2.660 11.120 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.508 3.940 9.104 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.645 3.049 8.112 1.00 0.00 H new ATOM 0 HG SER A 40 -9.492 5.095 8.795 1.00 0.00 H new ATOM 639 N PHE A 41 -9.674 0.456 9.095 1.00 0.00 N ATOM 640 CA PHE A 41 -10.812 -0.415 8.846 1.00 0.00 C ATOM 641 C PHE A 41 -10.627 -1.744 9.547 1.00 0.00 C ATOM 642 O PHE A 41 -11.585 -2.474 9.758 1.00 0.00 O ATOM 643 CB PHE A 41 -10.904 -0.672 7.351 1.00 0.00 C ATOM 644 CG PHE A 41 -10.832 0.572 6.550 1.00 0.00 C ATOM 645 CD1 PHE A 41 -11.863 1.485 6.558 1.00 0.00 C ATOM 646 CD2 PHE A 41 -9.705 0.841 5.812 1.00 0.00 C ATOM 647 CE1 PHE A 41 -11.758 2.649 5.843 1.00 0.00 C ATOM 648 CE2 PHE A 41 -9.594 1.990 5.093 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.618 2.901 5.110 1.00 0.00 C ATOM 0 H PHE A 41 -8.872 0.271 8.493 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.716 0.065 9.220 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.096 -1.339 7.051 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.840 -1.186 7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.757 1.283 7.130 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.894 0.128 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -12.565 3.366 5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.704 2.184 4.512 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.531 3.819 4.548 1.00 0.00 H new ATOM 659 N GLU A 42 -9.380 -2.033 9.885 1.00 0.00 N ATOM 660 CA GLU A 42 -8.963 -3.296 10.473 1.00 0.00 C ATOM 661 C GLU A 42 -9.344 -4.448 9.558 1.00 0.00 C ATOM 662 O GLU A 42 -10.176 -5.290 9.872 1.00 0.00 O ATOM 663 CB GLU A 42 -9.462 -3.471 11.905 1.00 0.00 C ATOM 664 CG GLU A 42 -8.989 -2.358 12.822 1.00 0.00 C ATOM 665 CD GLU A 42 -9.236 -2.638 14.268 1.00 0.00 C ATOM 666 OE1 GLU A 42 -10.269 -2.197 14.803 1.00 0.00 O ATOM 667 OE2 GLU A 42 -8.371 -3.285 14.899 1.00 0.00 O ATOM 0 H GLU A 42 -8.609 -1.378 9.754 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.876 -3.291 10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.552 -3.501 11.906 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.116 -4.429 12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.922 -2.198 12.667 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.493 -1.432 12.547 1.00 0.00 H new ATOM 674 N ILE A 43 -8.758 -4.409 8.390 1.00 0.00 N ATOM 675 CA ILE A 43 -9.037 -5.343 7.324 1.00 0.00 C ATOM 676 C ILE A 43 -8.462 -6.726 7.607 1.00 0.00 C ATOM 677 O ILE A 43 -7.361 -6.870 8.162 1.00 0.00 O ATOM 678 CB ILE A 43 -8.503 -4.779 5.968 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.222 -3.487 5.609 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.642 -5.766 4.839 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.703 -3.669 5.339 1.00 0.00 C ATOM 0 H ILE A 43 -8.056 -3.711 8.145 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.118 -5.462 7.258 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.440 -4.583 6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.095 -2.773 6.422 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.751 -3.053 4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.256 -5.324 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.077 -6.668 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.693 -6.021 4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.148 -2.706 5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.839 -4.358 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.188 -4.074 6.227 1.00 0.00 H new ATOM 693 N GLU A 44 -9.241 -7.717 7.256 1.00 0.00 N ATOM 694 CA GLU A 44 -8.886 -9.108 7.364 1.00 0.00 C ATOM 695 C GLU A 44 -7.863 -9.494 6.307 1.00 0.00 C ATOM 696 O GLU A 44 -7.793 -8.866 5.236 1.00 0.00 O ATOM 697 CB GLU A 44 -10.137 -9.947 7.165 1.00 0.00 C ATOM 698 CG GLU A 44 -11.161 -9.771 8.252 1.00 0.00 C ATOM 699 CD GLU A 44 -10.673 -10.332 9.554 1.00 0.00 C ATOM 700 OE1 GLU A 44 -10.314 -9.566 10.444 1.00 0.00 O ATOM 701 OE2 GLU A 44 -10.590 -11.584 9.681 1.00 0.00 O ATOM 0 H GLU A 44 -10.175 -7.571 6.873 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.452 -9.283 8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.589 -9.689 6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.854 -10.998 7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.389 -8.712 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.089 -10.266 7.965 1.00 0.00 H new ATOM 708 N SER A 45 -7.112 -10.548 6.589 1.00 0.00 N ATOM 709 CA SER A 45 -6.107 -11.072 5.678 1.00 0.00 C ATOM 710 C SER A 45 -6.763 -11.465 4.334 1.00 0.00 C ATOM 711 O SER A 45 -6.161 -11.322 3.286 1.00 0.00 O ATOM 712 CB SER A 45 -5.382 -12.277 6.326 1.00 0.00 C ATOM 713 OG SER A 45 -4.342 -12.781 5.500 1.00 0.00 O ATOM 0 H SER A 45 -7.184 -11.068 7.464 1.00 0.00 H new ATOM 0 HA SER A 45 -5.364 -10.300 5.476 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.967 -11.976 7.288 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.103 -13.070 6.525 1.00 0.00 H new ATOM 0 HG SER A 45 -3.909 -13.539 5.945 1.00 0.00 H new ATOM 719 N ASP A 46 -8.024 -11.892 4.399 1.00 0.00 N ATOM 720 CA ASP A 46 -8.829 -12.285 3.229 1.00 0.00 C ATOM 721 C ASP A 46 -8.916 -11.129 2.252 1.00 0.00 C ATOM 722 O ASP A 46 -8.494 -11.232 1.101 1.00 0.00 O ATOM 723 CB ASP A 46 -10.262 -12.628 3.674 1.00 0.00 C ATOM 724 CG ASP A 46 -10.316 -13.636 4.784 1.00 0.00 C ATOM 725 OD1 ASP A 46 -9.961 -13.277 5.929 1.00 0.00 O ATOM 726 OD2 ASP A 46 -10.720 -14.789 4.553 1.00 0.00 O ATOM 0 H ASP A 46 -8.530 -11.978 5.281 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.356 -13.148 2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.762 -11.715 3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.818 -13.011 2.818 1.00 0.00 H new ATOM 731 N GLN A 47 -9.419 -10.000 2.749 1.00 0.00 N ATOM 732 CA GLN A 47 -9.610 -8.814 1.922 1.00 0.00 C ATOM 733 C GLN A 47 -8.265 -8.261 1.497 1.00 0.00 C ATOM 734 O GLN A 47 -8.127 -7.690 0.417 1.00 0.00 O ATOM 735 CB GLN A 47 -10.330 -7.715 2.673 1.00 0.00 C ATOM 736 CG GLN A 47 -11.576 -8.111 3.438 1.00 0.00 C ATOM 737 CD GLN A 47 -12.371 -6.894 3.905 1.00 0.00 C ATOM 738 OE1 GLN A 47 -12.986 -6.914 4.958 1.00 0.00 O ATOM 739 NE2 GLN A 47 -12.417 -5.859 3.097 1.00 0.00 N ATOM 0 H GLN A 47 -9.701 -9.884 3.722 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.206 -9.119 1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.627 -7.268 3.377 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.603 -6.938 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.207 -8.735 2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.295 -8.714 4.302 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.892 -5.871 2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.978 -5.044 3.344 1.00 0.00 H new ATOM 748 N MET A 48 -7.272 -8.407 2.368 1.00 0.00 N ATOM 749 CA MET A 48 -5.942 -7.946 2.051 1.00 0.00 C ATOM 750 C MET A 48 -5.371 -8.719 0.886 1.00 0.00 C ATOM 751 O MET A 48 -4.878 -8.132 -0.051 1.00 0.00 O ATOM 752 CB MET A 48 -4.987 -7.975 3.251 1.00 0.00 C ATOM 753 CG MET A 48 -5.152 -6.842 4.271 1.00 0.00 C ATOM 754 SD MET A 48 -4.482 -5.211 3.749 1.00 0.00 S ATOM 755 CE MET A 48 -5.479 -4.750 2.328 1.00 0.00 C ATOM 0 H MET A 48 -7.369 -8.837 3.288 1.00 0.00 H new ATOM 0 HA MET A 48 -6.039 -6.898 1.767 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.116 -8.925 3.769 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.964 -7.953 2.876 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.213 -6.726 4.492 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.663 -7.137 5.199 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.324 -3.695 2.102 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.187 -5.352 1.468 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.532 -4.923 2.551 1.00 0.00 H new ATOM 765 N ASP A 49 -5.484 -10.038 0.949 1.00 0.00 N ATOM 766 CA ASP A 49 -5.023 -10.957 -0.120 1.00 0.00 C ATOM 767 C ASP A 49 -5.707 -10.633 -1.423 1.00 0.00 C ATOM 768 O ASP A 49 -5.065 -10.585 -2.488 1.00 0.00 O ATOM 769 CB ASP A 49 -5.342 -12.393 0.266 1.00 0.00 C ATOM 770 CG ASP A 49 -4.983 -13.394 -0.802 1.00 0.00 C ATOM 771 OD1 ASP A 49 -5.864 -13.759 -1.613 1.00 0.00 O ATOM 772 OD2 ASP A 49 -3.818 -13.866 -0.831 1.00 0.00 O ATOM 0 H ASP A 49 -5.900 -10.520 1.746 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.947 -10.836 -0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.807 -12.643 1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.406 -12.474 0.487 1.00 0.00 H new ATOM 777 N GLU A 50 -6.996 -10.398 -1.319 1.00 0.00 N ATOM 778 CA GLU A 50 -7.831 -10.004 -2.428 1.00 0.00 C ATOM 779 C GLU A 50 -7.263 -8.734 -3.090 1.00 0.00 C ATOM 780 O GLU A 50 -7.092 -8.664 -4.318 1.00 0.00 O ATOM 781 CB GLU A 50 -9.229 -9.741 -1.896 1.00 0.00 C ATOM 782 CG GLU A 50 -10.236 -9.294 -2.924 1.00 0.00 C ATOM 783 CD GLU A 50 -11.533 -8.921 -2.278 1.00 0.00 C ATOM 784 OE1 GLU A 50 -11.792 -7.719 -2.098 1.00 0.00 O ATOM 785 OE2 GLU A 50 -12.300 -9.824 -1.893 1.00 0.00 O ATOM 0 H GLU A 50 -7.504 -10.478 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.860 -10.793 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.597 -10.651 -1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.167 -8.980 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.842 -8.441 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.402 -10.093 -3.647 1.00 0.00 H new ATOM 792 N TYR A 51 -6.923 -7.766 -2.251 1.00 0.00 N ATOM 793 CA TYR A 51 -6.363 -6.508 -2.692 1.00 0.00 C ATOM 794 C TYR A 51 -4.954 -6.734 -3.238 1.00 0.00 C ATOM 795 O TYR A 51 -4.542 -6.061 -4.175 1.00 0.00 O ATOM 796 CB TYR A 51 -6.377 -5.493 -1.555 1.00 0.00 C ATOM 797 CG TYR A 51 -5.871 -4.122 -1.938 1.00 0.00 C ATOM 798 CD1 TYR A 51 -4.946 -3.468 -1.140 1.00 0.00 C ATOM 799 CD2 TYR A 51 -6.297 -3.489 -3.109 1.00 0.00 C ATOM 800 CE1 TYR A 51 -4.462 -2.230 -1.485 1.00 0.00 C ATOM 801 CE2 TYR A 51 -5.815 -2.253 -3.446 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.903 -1.633 -2.635 1.00 0.00 C ATOM 803 OH TYR A 51 -4.411 -0.423 -2.987 1.00 0.00 O ATOM 0 H TYR A 51 -7.031 -7.837 -1.239 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.973 -6.099 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.396 -5.399 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.769 -5.875 -0.735 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.600 -3.940 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.012 -3.979 -3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.740 -1.732 -0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.153 -1.768 -4.350 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.152 0.199 -3.144 1.00 0.00 H new ATOM 813 N TYR A 52 -4.208 -7.667 -2.657 1.00 0.00 N ATOM 814 CA TYR A 52 -2.851 -7.968 -3.102 1.00 0.00 C ATOM 815 C TYR A 52 -2.845 -8.478 -4.524 1.00 0.00 C ATOM 816 O TYR A 52 -2.025 -8.060 -5.342 1.00 0.00 O ATOM 817 CB TYR A 52 -2.115 -8.951 -2.166 1.00 0.00 C ATOM 818 CG TYR A 52 -1.876 -8.431 -0.755 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.932 -9.283 0.342 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.621 -7.087 -0.518 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.740 -8.806 1.625 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.425 -6.615 0.756 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.486 -7.473 1.823 1.00 0.00 C ATOM 824 OH TYR A 52 -1.296 -6.995 3.098 1.00 0.00 O ATOM 0 H TYR A 52 -4.524 -8.233 -1.869 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.301 -7.028 -3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.692 -9.874 -2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.154 -9.205 -2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.129 -10.334 0.189 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.576 -6.401 -1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.790 -9.480 2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.223 -5.567 0.918 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.083 -6.482 3.376 1.00 0.00 H new ATOM 834 N GLU A 53 -3.789 -9.369 -4.825 1.00 0.00 N ATOM 835 CA GLU A 53 -3.942 -9.905 -6.162 1.00 0.00 C ATOM 836 C GLU A 53 -4.328 -8.772 -7.116 1.00 0.00 C ATOM 837 O GLU A 53 -3.803 -8.674 -8.226 1.00 0.00 O ATOM 838 CB GLU A 53 -5.016 -10.998 -6.156 1.00 0.00 C ATOM 839 CG GLU A 53 -5.122 -11.782 -7.451 1.00 0.00 C ATOM 840 CD GLU A 53 -3.861 -12.536 -7.766 1.00 0.00 C ATOM 841 OE1 GLU A 53 -3.059 -12.069 -8.569 1.00 0.00 O ATOM 842 OE2 GLU A 53 -3.645 -13.631 -7.200 1.00 0.00 O ATOM 0 H GLU A 53 -4.461 -9.733 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.003 -10.345 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.806 -11.692 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.982 -10.540 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.954 -12.483 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.348 -11.099 -8.269 1.00 0.00 H new ATOM 849 N PHE A 54 -5.200 -7.889 -6.641 1.00 0.00 N ATOM 850 CA PHE A 54 -5.613 -6.734 -7.397 1.00 0.00 C ATOM 851 C PHE A 54 -4.396 -5.860 -7.749 1.00 0.00 C ATOM 852 O PHE A 54 -4.194 -5.491 -8.910 1.00 0.00 O ATOM 853 CB PHE A 54 -6.653 -5.931 -6.600 1.00 0.00 C ATOM 854 CG PHE A 54 -6.907 -4.570 -7.152 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.737 -4.381 -8.234 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.277 -3.483 -6.594 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.925 -3.119 -8.747 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.460 -2.233 -7.089 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.278 -2.043 -8.165 1.00 0.00 C ATOM 0 H PHE A 54 -5.634 -7.962 -5.721 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.071 -7.064 -8.329 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.591 -6.486 -6.579 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.315 -5.838 -5.568 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.241 -5.225 -8.681 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.624 -3.627 -5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.573 -2.969 -9.598 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.960 -1.391 -6.633 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.421 -1.049 -8.564 1.00 0.00 H new ATOM 869 N LEU A 55 -3.608 -5.533 -6.737 1.00 0.00 N ATOM 870 CA LEU A 55 -2.402 -4.729 -6.898 1.00 0.00 C ATOM 871 C LEU A 55 -1.419 -5.360 -7.866 1.00 0.00 C ATOM 872 O LEU A 55 -0.819 -4.674 -8.710 1.00 0.00 O ATOM 873 CB LEU A 55 -1.739 -4.472 -5.562 1.00 0.00 C ATOM 874 CG LEU A 55 -2.469 -3.518 -4.634 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.766 -3.465 -3.302 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.526 -2.122 -5.248 1.00 0.00 C ATOM 0 H LEU A 55 -3.786 -5.819 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.712 -3.774 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.617 -5.426 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.739 -4.078 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.488 -3.878 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.293 -2.779 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.752 -4.460 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.743 -3.117 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.052 -1.448 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.513 -1.754 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.054 -2.165 -6.201 1.00 0.00 H new ATOM 888 N GLY A 56 -1.270 -6.668 -7.724 1.00 0.00 N ATOM 889 CA GLY A 56 -0.411 -7.430 -8.597 1.00 0.00 C ATOM 890 C GLY A 56 -0.827 -7.297 -10.034 1.00 0.00 C ATOM 891 O GLY A 56 0.017 -7.129 -10.912 1.00 0.00 O ATOM 0 H GLY A 56 -1.739 -7.220 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.619 -7.091 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.435 -8.480 -8.306 1.00 0.00 H new ATOM 895 N GLU A 57 -2.122 -7.352 -10.280 1.00 0.00 N ATOM 896 CA GLU A 57 -2.648 -7.198 -11.595 1.00 0.00 C ATOM 897 C GLU A 57 -2.423 -5.789 -12.162 1.00 0.00 C ATOM 898 O GLU A 57 -2.269 -5.618 -13.372 1.00 0.00 O ATOM 899 CB GLU A 57 -4.106 -7.577 -11.634 1.00 0.00 C ATOM 900 CG GLU A 57 -4.388 -9.041 -11.329 1.00 0.00 C ATOM 901 CD GLU A 57 -5.814 -9.418 -11.628 1.00 0.00 C ATOM 902 OE1 GLU A 57 -6.046 -10.275 -12.523 1.00 0.00 O ATOM 903 OE2 GLU A 57 -6.736 -8.820 -11.044 1.00 0.00 O ATOM 0 H GLU A 57 -2.829 -7.506 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.095 -7.881 -12.241 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.648 -6.959 -10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.503 -7.342 -12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.717 -9.669 -11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.174 -9.240 -10.279 1.00 0.00 H new ATOM 910 N GLN A 58 -2.389 -4.774 -11.282 1.00 0.00 N ATOM 911 CA GLN A 58 -2.160 -3.386 -11.703 1.00 0.00 C ATOM 912 C GLN A 58 -0.681 -3.216 -12.025 1.00 0.00 C ATOM 913 O GLN A 58 -0.325 -2.630 -13.038 1.00 0.00 O ATOM 914 CB GLN A 58 -2.527 -2.408 -10.567 1.00 0.00 C ATOM 915 CG GLN A 58 -3.942 -2.530 -10.028 1.00 0.00 C ATOM 916 CD GLN A 58 -5.002 -2.162 -11.033 1.00 0.00 C ATOM 917 OE1 GLN A 58 -5.394 -1.006 -11.134 1.00 0.00 O ATOM 918 NE2 GLN A 58 -5.487 -3.124 -11.765 1.00 0.00 N ATOM 0 H GLN A 58 -2.517 -4.891 -10.277 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.780 -3.171 -12.574 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.829 -2.558 -9.743 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.381 -1.390 -10.927 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.108 -3.554 -9.695 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.045 -1.889 -9.152 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.137 -4.076 -11.654 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.217 -2.926 -12.449 1.00 0.00 H new ATOM 927 N GLY A 59 0.159 -3.688 -11.151 1.00 0.00 N ATOM 928 CA GLY A 59 1.577 -3.646 -11.392 1.00 0.00 C ATOM 929 C GLY A 59 2.326 -3.213 -10.169 1.00 0.00 C ATOM 930 O GLY A 59 3.125 -2.268 -10.213 1.00 0.00 O ATOM 0 H GLY A 59 -0.111 -4.108 -10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.924 -4.631 -11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.788 -2.960 -12.212 1.00 0.00 H new ATOM 934 N VAL A 60 2.095 -3.908 -9.084 1.00 0.00 N ATOM 935 CA VAL A 60 2.676 -3.587 -7.810 1.00 0.00 C ATOM 936 C VAL A 60 3.064 -4.869 -7.168 1.00 0.00 C ATOM 937 O VAL A 60 2.247 -5.775 -7.047 1.00 0.00 O ATOM 938 CB VAL A 60 1.677 -2.885 -6.851 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.384 -2.459 -5.581 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.980 -1.706 -7.508 1.00 0.00 C ATOM 0 H VAL A 60 1.487 -4.727 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 60 3.514 -2.911 -7.984 1.00 0.00 H new ATOM 0 HB VAL A 60 0.900 -3.607 -6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.673 -1.968 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.799 -3.336 -5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.189 -1.766 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.292 -1.248 -6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.723 -0.971 -7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.425 -2.051 -8.380 1.00 0.00 H new ATOM 950 N GLU A 61 4.277 -4.960 -6.786 1.00 0.00 N ATOM 951 CA GLU A 61 4.762 -6.119 -6.133 1.00 0.00 C ATOM 952 C GLU A 61 4.722 -5.890 -4.666 1.00 0.00 C ATOM 953 O GLU A 61 5.133 -4.848 -4.176 1.00 0.00 O ATOM 954 CB GLU A 61 6.140 -6.398 -6.636 1.00 0.00 C ATOM 955 CG GLU A 61 6.083 -6.685 -8.108 1.00 0.00 C ATOM 956 CD GLU A 61 5.586 -8.060 -8.484 1.00 0.00 C ATOM 957 OE1 GLU A 61 6.221 -9.062 -8.106 1.00 0.00 O ATOM 958 OE2 GLU A 61 4.574 -8.160 -9.209 1.00 0.00 O ATOM 0 H GLU A 61 4.973 -4.226 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 61 4.146 -6.993 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.789 -5.543 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.568 -7.248 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.439 -5.943 -8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.081 -6.552 -8.525 1.00 0.00 H new ATOM 965 N LEU A 62 4.145 -6.788 -3.986 1.00 0.00 N ATOM 966 CA LEU A 62 4.016 -6.657 -2.574 1.00 0.00 C ATOM 967 C LEU A 62 5.178 -7.314 -1.856 1.00 0.00 C ATOM 968 O LEU A 62 5.258 -8.533 -1.776 1.00 0.00 O ATOM 969 CB LEU A 62 2.678 -7.209 -2.074 1.00 0.00 C ATOM 970 CG LEU A 62 1.398 -6.649 -2.722 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.471 -5.162 -2.977 1.00 0.00 C ATOM 972 CD2 LEU A 62 0.965 -7.429 -3.948 1.00 0.00 C ATOM 0 H LEU A 62 3.744 -7.640 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 62 4.036 -5.592 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.684 -8.290 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.619 -7.030 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 62 0.609 -6.790 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.541 -4.825 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.622 -4.638 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.303 -4.948 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.058 -6.986 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.756 -7.398 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.769 -8.465 -3.670 1.00 0.00 H new ATOM 984 N ILE A 63 6.090 -6.503 -1.375 1.00 0.00 N ATOM 985 CA ILE A 63 7.243 -6.992 -0.640 1.00 0.00 C ATOM 986 C ILE A 63 6.950 -7.131 0.845 1.00 0.00 C ATOM 987 O ILE A 63 5.982 -6.565 1.370 1.00 0.00 O ATOM 988 CB ILE A 63 8.497 -6.123 -0.821 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.201 -4.684 -0.470 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.031 -6.238 -2.222 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.403 -3.775 -0.504 1.00 0.00 C ATOM 0 H ILE A 63 6.059 -5.489 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 63 7.449 -7.973 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 63 9.266 -6.487 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.451 -4.301 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.762 -4.649 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.919 -5.614 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.291 -7.276 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.271 -5.907 -2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.101 -2.762 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.147 -4.129 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.832 -3.776 -1.506 1.00 0.00 H new