USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 539 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 43 LYS NZ :NH3+ 130:sc= -0.316 (180deg=0) USER MOD Set 1.2: A 65 MET CE :methyl -173:sc= -3.28 (180deg=-3.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.136 K(o=0.14,f=-0.49) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -160:sc= -0.0646 USER MOD Single : A 37 GLN : amide:sc=-0.00389 X(o=-0.0039,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.16! X(o=-1.2!,f=-0.83) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 170:sc= -1.47 USER MOD Single : A 63 GLN : amide:sc= -1.95 K(o=-2,f=-0.33) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 71 GLN : amide:sc= -5.35! K(o=-5.4!,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -1:sc= -9.25! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.310 7.914 -5.677 1.00 0.00 N ATOM 168 CA GLY A 15 -3.353 8.133 -4.242 1.00 0.00 C ATOM 169 C GLY A 15 -3.544 6.845 -3.466 1.00 0.00 C ATOM 170 O GLY A 15 -4.282 6.808 -2.481 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.428 8.613 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.166 8.820 -4.006 1.00 0.00 H new ATOM 174 N LYS A 16 -2.879 5.784 -3.910 1.00 0.00 N ATOM 175 CA LYS A 16 -2.978 4.487 -3.251 1.00 0.00 C ATOM 176 C LYS A 16 -1.607 4.009 -2.781 1.00 0.00 C ATOM 177 O LYS A 16 -0.699 3.807 -3.588 1.00 0.00 O ATOM 178 CB LYS A 16 -3.592 3.455 -4.199 1.00 0.00 C ATOM 179 CG LYS A 16 -4.594 4.048 -5.176 1.00 0.00 C ATOM 180 CD LYS A 16 -4.716 3.200 -6.431 1.00 0.00 C ATOM 181 CE LYS A 16 -5.342 3.985 -7.574 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.321 4.734 -8.358 1.00 0.00 N ATOM 0 H LYS A 16 -2.265 5.797 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.623 4.599 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.794 2.969 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.085 2.681 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.569 4.130 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.286 5.058 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.729 2.845 -6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.321 2.319 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.877 3.302 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.077 4.683 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.788 5.256 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.828 5.404 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.633 4.066 -8.761 1.00 0.00 H new ATOM 196 N THR A 17 -1.465 3.828 -1.472 1.00 0.00 N ATOM 197 CA THR A 17 -0.206 3.374 -0.896 1.00 0.00 C ATOM 198 C THR A 17 -0.445 2.369 0.225 1.00 0.00 C ATOM 199 O THR A 17 -1.550 2.272 0.760 1.00 0.00 O ATOM 200 CB THR A 17 0.618 4.553 -0.345 1.00 0.00 C ATOM 201 OG1 THR A 17 1.081 5.373 -1.424 1.00 0.00 O ATOM 202 CG2 THR A 17 1.806 4.053 0.463 1.00 0.00 C ATOM 0 H THR A 17 -2.207 3.989 -0.791 1.00 0.00 H new ATOM 0 HA THR A 17 0.353 2.893 -1.699 1.00 0.00 H new ATOM 0 HB THR A 17 -0.025 5.142 0.310 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.603 6.121 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.373 4.904 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.450 3.453 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.448 3.444 -0.173 1.00 0.00 H new ATOM 210 N VAL A 18 0.597 1.622 0.577 1.00 0.00 N ATOM 211 CA VAL A 18 0.500 0.625 1.636 1.00 0.00 C ATOM 212 C VAL A 18 1.861 0.364 2.272 1.00 0.00 C ATOM 213 O VAL A 18 2.805 -0.046 1.596 1.00 0.00 O ATOM 214 CB VAL A 18 -0.070 -0.704 1.106 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.354 -0.461 0.328 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.959 -1.417 0.243 1.00 0.00 C ATOM 0 H VAL A 18 1.518 1.689 0.144 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.178 1.028 2.388 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.304 -1.345 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.742 -1.411 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.092 0.005 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.149 0.197 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.540 -2.354 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.226 -0.784 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.850 -1.625 0.836 1.00 0.00 H new ATOM 226 N PHE A 19 1.956 0.605 3.575 1.00 0.00 N ATOM 227 CA PHE A 19 3.202 0.397 4.303 1.00 0.00 C ATOM 228 C PHE A 19 3.066 -0.753 5.297 1.00 0.00 C ATOM 229 O PHE A 19 2.245 -0.700 6.213 1.00 0.00 O ATOM 230 CB PHE A 19 3.609 1.676 5.037 1.00 0.00 C ATOM 231 CG PHE A 19 4.925 1.564 5.753 1.00 0.00 C ATOM 232 CD1 PHE A 19 6.059 1.135 5.083 1.00 0.00 C ATOM 233 CD2 PHE A 19 5.027 1.887 7.096 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.271 1.031 5.738 1.00 0.00 C ATOM 235 CE2 PHE A 19 6.237 1.786 7.757 1.00 0.00 C ATOM 236 CZ PHE A 19 7.360 1.356 7.077 1.00 0.00 C ATOM 0 H PHE A 19 1.184 0.945 4.149 1.00 0.00 H new ATOM 0 HA PHE A 19 3.977 0.140 3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.663 2.495 4.320 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.833 1.934 5.758 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.995 0.879 4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.152 2.221 7.633 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.148 0.696 5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.304 2.043 8.804 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.306 1.274 7.592 1.00 0.00 H new ATOM 246 N ILE A 20 3.875 -1.789 5.108 1.00 0.00 N ATOM 247 CA ILE A 20 3.846 -2.951 5.988 1.00 0.00 C ATOM 248 C ILE A 20 4.904 -2.840 7.081 1.00 0.00 C ATOM 249 O ILE A 20 6.063 -2.527 6.808 1.00 0.00 O ATOM 250 CB ILE A 20 4.070 -4.257 5.204 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.228 -4.261 3.926 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.731 -5.460 6.071 1.00 0.00 C ATOM 253 CD1 ILE A 20 3.940 -3.664 2.732 1.00 0.00 C ATOM 0 H ILE A 20 4.559 -1.848 4.354 1.00 0.00 H new ATOM 0 HA ILE A 20 2.856 -2.976 6.444 1.00 0.00 H new ATOM 0 HB ILE A 20 5.122 -4.320 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.941 -5.286 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.307 -3.705 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.894 -6.376 5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.369 -5.463 6.955 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.686 -5.405 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.284 -3.700 1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.203 -2.628 2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.846 -4.233 2.527 1.00 0.00 H new ATOM 265 N ARG A 21 4.497 -3.100 8.319 1.00 0.00 N ATOM 266 CA ARG A 21 5.410 -3.031 9.454 1.00 0.00 C ATOM 267 C ARG A 21 5.531 -4.389 10.138 1.00 0.00 C ATOM 268 O ARG A 21 4.688 -5.266 9.953 1.00 0.00 O ATOM 269 CB ARG A 21 4.929 -1.982 10.459 1.00 0.00 C ATOM 270 CG ARG A 21 5.487 -0.592 10.202 1.00 0.00 C ATOM 271 CD ARG A 21 5.446 0.266 11.457 1.00 0.00 C ATOM 272 NE ARG A 21 6.461 -0.135 12.428 1.00 0.00 N ATOM 273 CZ ARG A 21 6.621 0.453 13.608 1.00 0.00 C ATOM 274 NH1 ARG A 21 5.837 1.461 13.963 1.00 0.00 N ATOM 275 NH2 ARG A 21 7.568 0.031 14.437 1.00 0.00 N ATOM 0 H ARG A 21 3.541 -3.360 8.562 1.00 0.00 H new ATOM 0 HA ARG A 21 6.393 -2.743 9.081 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.840 -1.938 10.432 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.211 -2.297 11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.515 -0.671 9.848 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.913 -0.109 9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.596 1.311 11.187 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.459 0.193 11.914 1.00 0.00 H new ATOM 0 HE ARG A 21 7.080 -0.909 12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.108 1.788 13.329 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.963 1.910 14.870 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.173 -0.745 14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.691 0.483 15.343 1.00 0.00 H new ATOM 289 N ASN A 22 6.586 -4.555 10.930 1.00 0.00 N ATOM 290 CA ASN A 22 6.818 -5.806 11.641 1.00 0.00 C ATOM 291 C ASN A 22 7.062 -6.951 10.663 1.00 0.00 C ATOM 292 O ASN A 22 6.458 -8.019 10.777 1.00 0.00 O ATOM 293 CB ASN A 22 5.625 -6.134 12.541 1.00 0.00 C ATOM 294 CG ASN A 22 6.012 -7.012 13.717 1.00 0.00 C ATOM 295 OD1 ASN A 22 7.026 -6.777 14.374 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.202 -8.029 13.986 1.00 0.00 N ATOM 0 H ASN A 22 7.293 -3.839 11.095 1.00 0.00 H new ATOM 0 HA ASN A 22 7.708 -5.684 12.259 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.187 -5.207 12.912 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.857 -6.637 11.953 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.410 -8.654 14.765 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.372 -8.185 13.414 1.00 0.00 H new ATOM 303 N LEU A 23 7.950 -6.722 9.702 1.00 0.00 N ATOM 304 CA LEU A 23 8.275 -7.735 8.703 1.00 0.00 C ATOM 305 C LEU A 23 9.361 -8.675 9.214 1.00 0.00 C ATOM 306 O LEU A 23 10.239 -8.270 9.975 1.00 0.00 O ATOM 307 CB LEU A 23 8.730 -7.069 7.403 1.00 0.00 C ATOM 308 CG LEU A 23 7.647 -6.343 6.605 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.258 -5.606 5.424 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.585 -7.326 6.132 1.00 0.00 C ATOM 0 H LEU A 23 8.458 -5.844 9.593 1.00 0.00 H new ATOM 0 HA LEU A 23 7.376 -8.321 8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.518 -6.354 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.174 -7.832 6.764 1.00 0.00 H new ATOM 0 HG LEU A 23 7.171 -5.610 7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.472 -5.095 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.980 -4.874 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.760 -6.319 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.822 -6.792 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.046 -8.082 5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.126 -7.808 6.995 1.00 0.00 H new ATOM 322 N SER A 24 9.296 -9.933 8.789 1.00 0.00 N ATOM 323 CA SER A 24 10.274 -10.932 9.205 1.00 0.00 C ATOM 324 C SER A 24 11.491 -10.916 8.285 1.00 0.00 C ATOM 325 O SER A 24 11.368 -10.717 7.077 1.00 0.00 O ATOM 326 CB SER A 24 9.641 -12.325 9.208 1.00 0.00 C ATOM 327 OG SER A 24 10.350 -13.205 10.062 1.00 0.00 O ATOM 0 H SER A 24 8.577 -10.285 8.157 1.00 0.00 H new ATOM 0 HA SER A 24 10.601 -10.687 10.216 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.603 -12.255 9.533 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.632 -12.726 8.194 1.00 0.00 H new ATOM 0 HG SER A 24 9.925 -14.088 10.048 1.00 0.00 H new ATOM 333 N PHE A 25 12.667 -11.128 8.868 1.00 0.00 N ATOM 334 CA PHE A 25 13.908 -11.137 8.102 1.00 0.00 C ATOM 335 C PHE A 25 13.806 -12.087 6.912 1.00 0.00 C ATOM 336 O PHE A 25 14.493 -11.914 5.906 1.00 0.00 O ATOM 337 CB PHE A 25 15.080 -11.546 8.997 1.00 0.00 C ATOM 338 CG PHE A 25 15.599 -10.428 9.854 1.00 0.00 C ATOM 339 CD1 PHE A 25 16.161 -9.299 9.279 1.00 0.00 C ATOM 340 CD2 PHE A 25 15.524 -10.504 11.236 1.00 0.00 C ATOM 341 CE1 PHE A 25 16.639 -8.269 10.066 1.00 0.00 C ATOM 342 CE2 PHE A 25 16.001 -9.477 12.028 1.00 0.00 C ATOM 343 CZ PHE A 25 16.558 -8.357 11.442 1.00 0.00 C ATOM 0 H PHE A 25 12.786 -11.296 9.867 1.00 0.00 H new ATOM 0 HA PHE A 25 14.081 -10.129 7.725 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.766 -12.369 9.639 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.891 -11.920 8.372 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.226 -9.224 8.204 1.00 0.00 H new ATOM 0 HD2 PHE A 25 15.087 -11.376 11.699 1.00 0.00 H new ATOM 0 HE1 PHE A 25 17.076 -7.395 9.605 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.938 -9.550 13.104 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.929 -7.552 12.059 1.00 0.00 H new ATOM 353 N ASP A 26 12.945 -13.090 7.036 1.00 0.00 N ATOM 354 CA ASP A 26 12.751 -14.068 5.971 1.00 0.00 C ATOM 355 C ASP A 26 11.933 -13.473 4.829 1.00 0.00 C ATOM 356 O ASP A 26 12.132 -13.818 3.665 1.00 0.00 O ATOM 357 CB ASP A 26 12.057 -15.317 6.516 1.00 0.00 C ATOM 358 CG ASP A 26 12.088 -16.472 5.535 1.00 0.00 C ATOM 359 OD1 ASP A 26 12.048 -16.214 4.314 1.00 0.00 O ATOM 360 OD2 ASP A 26 12.153 -17.634 5.988 1.00 0.00 O ATOM 0 H ASP A 26 12.370 -13.248 7.863 1.00 0.00 H new ATOM 0 HA ASP A 26 13.731 -14.347 5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.539 -15.621 7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.022 -15.077 6.758 1.00 0.00 H new ATOM 365 N SER A 27 11.011 -12.579 5.172 1.00 0.00 N ATOM 366 CA SER A 27 10.159 -11.940 4.176 1.00 0.00 C ATOM 367 C SER A 27 10.989 -11.411 3.010 1.00 0.00 C ATOM 368 O SER A 27 12.193 -11.194 3.140 1.00 0.00 O ATOM 369 CB SER A 27 9.365 -10.797 4.812 1.00 0.00 C ATOM 370 OG SER A 27 8.606 -10.101 3.838 1.00 0.00 O ATOM 0 H SER A 27 10.835 -12.281 6.131 1.00 0.00 H new ATOM 0 HA SER A 27 9.464 -12.688 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.701 -11.194 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.048 -10.107 5.307 1.00 0.00 H new ATOM 0 HG SER A 27 8.368 -9.214 4.181 1.00 0.00 H new ATOM 376 N GLU A 28 10.334 -11.205 1.871 1.00 0.00 N ATOM 377 CA GLU A 28 11.012 -10.703 0.682 1.00 0.00 C ATOM 378 C GLU A 28 10.064 -9.862 -0.169 1.00 0.00 C ATOM 379 O GLU A 28 8.877 -9.749 0.134 1.00 0.00 O ATOM 380 CB GLU A 28 11.565 -11.864 -0.146 1.00 0.00 C ATOM 381 CG GLU A 28 12.513 -12.765 0.626 1.00 0.00 C ATOM 382 CD GLU A 28 13.485 -13.500 -0.277 1.00 0.00 C ATOM 383 OE1 GLU A 28 13.037 -14.387 -1.033 1.00 0.00 O ATOM 384 OE2 GLU A 28 14.694 -13.189 -0.227 1.00 0.00 O ATOM 0 H GLU A 28 9.336 -11.378 1.747 1.00 0.00 H new ATOM 0 HA GLU A 28 11.840 -10.072 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.733 -12.461 -0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.086 -11.463 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.072 -12.166 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.934 -13.491 1.197 1.00 0.00 H new ATOM 391 N GLU A 29 10.599 -9.275 -1.235 1.00 0.00 N ATOM 392 CA GLU A 29 9.801 -8.444 -2.130 1.00 0.00 C ATOM 393 C GLU A 29 8.861 -9.300 -2.973 1.00 0.00 C ATOM 394 O GLU A 29 7.738 -8.895 -3.273 1.00 0.00 O ATOM 395 CB GLU A 29 10.711 -7.617 -3.041 1.00 0.00 C ATOM 396 CG GLU A 29 10.088 -6.310 -3.499 1.00 0.00 C ATOM 397 CD GLU A 29 11.068 -5.426 -4.246 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.168 -5.566 -5.483 1.00 0.00 O ATOM 399 OE2 GLU A 29 11.735 -4.596 -3.594 1.00 0.00 O ATOM 0 H GLU A 29 11.580 -9.359 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 29 9.201 -7.770 -1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.640 -7.402 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.972 -8.212 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.235 -6.525 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.706 -5.771 -2.632 1.00 0.00 H new ATOM 406 N GLU A 30 9.328 -10.485 -3.352 1.00 0.00 N ATOM 407 CA GLU A 30 8.529 -11.397 -4.162 1.00 0.00 C ATOM 408 C GLU A 30 7.364 -11.963 -3.355 1.00 0.00 C ATOM 409 O GLU A 30 6.221 -11.962 -3.811 1.00 0.00 O ATOM 410 CB GLU A 30 9.399 -12.539 -4.692 1.00 0.00 C ATOM 411 CG GLU A 30 8.602 -13.747 -5.156 1.00 0.00 C ATOM 412 CD GLU A 30 9.361 -14.598 -6.156 1.00 0.00 C ATOM 413 OE1 GLU A 30 9.784 -14.055 -7.198 1.00 0.00 O ATOM 414 OE2 GLU A 30 9.532 -15.807 -5.895 1.00 0.00 O ATOM 0 H GLU A 30 10.255 -10.836 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 30 8.126 -10.835 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.001 -12.171 -5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.092 -12.850 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.338 -14.357 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.668 -13.410 -5.606 1.00 0.00 H new ATOM 421 N ALA A 31 7.664 -12.447 -2.154 1.00 0.00 N ATOM 422 CA ALA A 31 6.642 -13.015 -1.283 1.00 0.00 C ATOM 423 C ALA A 31 5.710 -11.931 -0.751 1.00 0.00 C ATOM 424 O ALA A 31 4.488 -12.055 -0.833 1.00 0.00 O ATOM 425 CB ALA A 31 7.291 -13.768 -0.131 1.00 0.00 C ATOM 0 H ALA A 31 8.606 -12.457 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 31 6.046 -13.714 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.517 -14.187 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.910 -14.573 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.911 -13.084 0.447 1.00 0.00 H new ATOM 431 N LEU A 32 6.295 -10.870 -0.206 1.00 0.00 N ATOM 432 CA LEU A 32 5.516 -9.764 0.340 1.00 0.00 C ATOM 433 C LEU A 32 4.438 -9.319 -0.643 1.00 0.00 C ATOM 434 O LEU A 32 3.249 -9.351 -0.332 1.00 0.00 O ATOM 435 CB LEU A 32 6.433 -8.587 0.677 1.00 0.00 C ATOM 436 CG LEU A 32 5.767 -7.392 1.361 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.815 -6.403 1.847 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.789 -6.713 0.413 1.00 0.00 C ATOM 0 H LEU A 32 7.305 -10.752 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 32 5.029 -10.110 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.234 -8.949 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.899 -8.239 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 32 5.212 -7.755 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.323 -5.560 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.476 -6.895 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.398 -6.045 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.324 -5.865 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.322 -6.363 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.019 -7.424 0.114 1.00 0.00 H new ATOM 450 N GLY A 33 4.864 -8.905 -1.833 1.00 0.00 N ATOM 451 CA GLY A 33 3.923 -8.462 -2.844 1.00 0.00 C ATOM 452 C GLY A 33 2.895 -9.522 -3.185 1.00 0.00 C ATOM 453 O GLY A 33 1.698 -9.243 -3.231 1.00 0.00 O ATOM 0 H GLY A 33 5.844 -8.869 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.413 -7.565 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.468 -8.185 -3.747 1.00 0.00 H new ATOM 457 N GLU A 34 3.364 -10.743 -3.426 1.00 0.00 N ATOM 458 CA GLU A 34 2.476 -11.848 -3.767 1.00 0.00 C ATOM 459 C GLU A 34 1.362 -11.989 -2.735 1.00 0.00 C ATOM 460 O GLU A 34 0.323 -12.592 -3.004 1.00 0.00 O ATOM 461 CB GLU A 34 3.266 -13.155 -3.864 1.00 0.00 C ATOM 462 CG GLU A 34 4.041 -13.304 -5.162 1.00 0.00 C ATOM 463 CD GLU A 34 3.150 -13.668 -6.334 1.00 0.00 C ATOM 464 OE1 GLU A 34 2.055 -14.220 -6.099 1.00 0.00 O ATOM 465 OE2 GLU A 34 3.548 -13.398 -7.487 1.00 0.00 O ATOM 0 H GLU A 34 4.353 -10.991 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 34 2.025 -11.632 -4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.962 -13.212 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.577 -13.994 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.560 -12.370 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.805 -14.072 -5.039 1.00 0.00 H new ATOM 472 N VAL A 35 1.586 -11.429 -1.550 1.00 0.00 N ATOM 473 CA VAL A 35 0.602 -11.491 -0.477 1.00 0.00 C ATOM 474 C VAL A 35 -0.477 -10.429 -0.657 1.00 0.00 C ATOM 475 O VAL A 35 -1.669 -10.713 -0.541 1.00 0.00 O ATOM 476 CB VAL A 35 1.263 -11.307 0.902 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.218 -11.353 2.006 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.334 -12.364 1.125 1.00 0.00 C ATOM 0 H VAL A 35 2.441 -10.927 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 35 0.145 -12.480 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 35 1.741 -10.328 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.704 -11.221 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.508 -10.555 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.292 -12.316 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.790 -12.219 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.882 -13.355 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.098 -12.277 0.352 1.00 0.00 H new ATOM 488 N LEU A 36 -0.050 -9.204 -0.943 1.00 0.00 N ATOM 489 CA LEU A 36 -0.979 -8.097 -1.141 1.00 0.00 C ATOM 490 C LEU A 36 -1.675 -8.205 -2.494 1.00 0.00 C ATOM 491 O LEU A 36 -2.794 -7.723 -2.667 1.00 0.00 O ATOM 492 CB LEU A 36 -0.241 -6.761 -1.039 1.00 0.00 C ATOM 493 CG LEU A 36 0.471 -6.486 0.286 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.121 -5.111 0.268 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.504 -6.603 1.449 1.00 0.00 C ATOM 0 H LEU A 36 0.933 -8.952 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.737 -8.147 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.496 -6.714 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.957 -5.959 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 36 1.254 -7.233 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.623 -4.933 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.850 -5.064 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.357 -4.349 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.020 -6.404 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.309 -5.879 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.922 -7.610 1.474 1.00 0.00 H new ATOM 507 N GLN A 37 -1.005 -8.842 -3.449 1.00 0.00 N ATOM 508 CA GLN A 37 -1.560 -9.015 -4.786 1.00 0.00 C ATOM 509 C GLN A 37 -2.940 -9.661 -4.723 1.00 0.00 C ATOM 510 O GLN A 37 -3.800 -9.390 -5.560 1.00 0.00 O ATOM 511 CB GLN A 37 -0.623 -9.867 -5.644 1.00 0.00 C ATOM 512 CG GLN A 37 0.566 -9.096 -6.195 1.00 0.00 C ATOM 513 CD GLN A 37 1.185 -9.766 -7.406 1.00 0.00 C ATOM 514 OE1 GLN A 37 2.308 -10.268 -7.346 1.00 0.00 O ATOM 515 NE2 GLN A 37 0.454 -9.779 -8.514 1.00 0.00 N ATOM 0 H GLN A 37 -0.077 -9.247 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.661 -8.029 -5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.258 -10.704 -5.048 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.188 -10.290 -6.475 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.248 -8.089 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.321 -8.994 -5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.472 -9.351 -8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.818 -10.217 -9.360 1.00 0.00 H new ATOM 524 N GLN A 38 -3.142 -10.518 -3.727 1.00 0.00 N ATOM 525 CA GLN A 38 -4.417 -11.203 -3.557 1.00 0.00 C ATOM 526 C GLN A 38 -5.571 -10.207 -3.525 1.00 0.00 C ATOM 527 O GLN A 38 -6.638 -10.458 -4.088 1.00 0.00 O ATOM 528 CB GLN A 38 -4.408 -12.032 -2.271 1.00 0.00 C ATOM 529 CG GLN A 38 -4.534 -11.195 -1.008 1.00 0.00 C ATOM 530 CD GLN A 38 -4.262 -11.995 0.251 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.100 -12.061 1.151 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.086 -12.608 0.321 1.00 0.00 N ATOM 0 H GLN A 38 -2.439 -10.754 -3.026 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.559 -11.868 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.228 -12.749 -2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.483 -12.607 -2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.837 -10.358 -1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.537 -10.772 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.422 -12.526 -0.449 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.847 -13.161 1.144 1.00 0.00 H new ATOM 541 N PHE A 39 -5.351 -9.075 -2.864 1.00 0.00 N ATOM 542 CA PHE A 39 -6.374 -8.041 -2.758 1.00 0.00 C ATOM 543 C PHE A 39 -6.542 -7.305 -4.083 1.00 0.00 C ATOM 544 O PHE A 39 -7.658 -6.982 -4.489 1.00 0.00 O ATOM 545 CB PHE A 39 -6.011 -7.047 -1.652 1.00 0.00 C ATOM 546 CG PHE A 39 -5.864 -7.683 -0.299 1.00 0.00 C ATOM 547 CD1 PHE A 39 -6.975 -7.912 0.497 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.616 -8.050 0.177 1.00 0.00 C ATOM 549 CE1 PHE A 39 -6.844 -8.497 1.742 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.479 -8.636 1.421 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.593 -8.859 2.205 1.00 0.00 C ATOM 0 H PHE A 39 -4.474 -8.851 -2.394 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.319 -8.523 -2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.077 -6.549 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.780 -6.276 -1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.955 -7.630 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.740 -7.876 -0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.718 -8.671 2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.501 -8.919 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.487 -9.315 3.178 1.00 0.00 H new ATOM 561 N GLY A 40 -5.425 -7.041 -4.754 1.00 0.00 N ATOM 562 CA GLY A 40 -5.469 -6.345 -6.026 1.00 0.00 C ATOM 563 C GLY A 40 -4.095 -6.178 -6.645 1.00 0.00 C ATOM 564 O GLY A 40 -3.083 -6.224 -5.946 1.00 0.00 O ATOM 0 H GLY A 40 -4.489 -7.297 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.110 -6.895 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.922 -5.364 -5.884 1.00 0.00 H new ATOM 568 N ASP A 41 -4.059 -5.986 -7.959 1.00 0.00 N ATOM 569 CA ASP A 41 -2.799 -5.813 -8.672 1.00 0.00 C ATOM 570 C ASP A 41 -1.875 -4.862 -7.918 1.00 0.00 C ATOM 571 O ASP A 41 -2.328 -3.895 -7.305 1.00 0.00 O ATOM 572 CB ASP A 41 -3.056 -5.284 -10.083 1.00 0.00 C ATOM 573 CG ASP A 41 -4.025 -6.152 -10.860 1.00 0.00 C ATOM 574 OD1 ASP A 41 -3.718 -7.345 -11.067 1.00 0.00 O ATOM 575 OD2 ASP A 41 -5.091 -5.640 -11.263 1.00 0.00 O ATOM 0 H ASP A 41 -4.888 -5.946 -8.552 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.312 -6.785 -8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.451 -4.270 -10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.111 -5.226 -10.624 1.00 0.00 H new ATOM 580 N LEU A 42 -0.577 -5.143 -7.968 1.00 0.00 N ATOM 581 CA LEU A 42 0.412 -4.313 -7.289 1.00 0.00 C ATOM 582 C LEU A 42 1.271 -3.555 -8.297 1.00 0.00 C ATOM 583 O LEU A 42 2.068 -4.151 -9.021 1.00 0.00 O ATOM 584 CB LEU A 42 1.301 -5.175 -6.391 1.00 0.00 C ATOM 585 CG LEU A 42 0.763 -5.458 -4.988 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.499 -6.632 -4.361 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.885 -4.220 -4.111 1.00 0.00 C ATOM 0 H LEU A 42 -0.185 -5.939 -8.471 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.120 -3.587 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.474 -6.128 -6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.270 -4.685 -6.295 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.292 -5.719 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.103 -6.819 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.361 -7.520 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.562 -6.400 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.497 -4.439 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.933 -3.929 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.312 -3.404 -4.552 1.00 0.00 H new ATOM 599 N LYS A 43 1.103 -2.238 -8.337 1.00 0.00 N ATOM 600 CA LYS A 43 1.865 -1.396 -9.252 1.00 0.00 C ATOM 601 C LYS A 43 3.364 -1.564 -9.027 1.00 0.00 C ATOM 602 O LYS A 43 4.110 -1.873 -9.956 1.00 0.00 O ATOM 603 CB LYS A 43 1.473 0.072 -9.074 1.00 0.00 C ATOM 604 CG LYS A 43 2.382 1.039 -9.812 1.00 0.00 C ATOM 605 CD LYS A 43 2.084 1.057 -11.302 1.00 0.00 C ATOM 606 CE LYS A 43 0.999 2.068 -11.641 1.00 0.00 C ATOM 607 NZ LYS A 43 0.927 2.335 -13.104 1.00 0.00 N ATOM 0 H LYS A 43 0.445 -1.730 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 43 1.632 -1.707 -10.270 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.450 0.211 -9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.484 0.316 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.257 2.042 -9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.422 0.756 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.993 1.299 -11.853 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.771 0.064 -11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.035 1.697 -11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.193 3.000 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.058 2.245 -13.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.268 3.298 -13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.521 1.649 -13.612 1.00 0.00 H new ATOM 621 N TYR A 44 3.797 -1.361 -7.788 1.00 0.00 N ATOM 622 CA TYR A 44 5.207 -1.490 -7.440 1.00 0.00 C ATOM 623 C TYR A 44 5.374 -1.889 -5.977 1.00 0.00 C ATOM 624 O TYR A 44 4.782 -1.283 -5.085 1.00 0.00 O ATOM 625 CB TYR A 44 5.942 -0.175 -7.709 1.00 0.00 C ATOM 626 CG TYR A 44 5.959 0.762 -6.522 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.701 0.461 -5.386 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.234 1.947 -6.536 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.719 1.314 -4.299 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.248 2.806 -5.455 1.00 0.00 C ATOM 631 CZ TYR A 44 5.991 2.485 -4.338 1.00 0.00 C ATOM 632 OH TYR A 44 6.007 3.338 -3.258 1.00 0.00 O ATOM 0 H TYR A 44 3.192 -1.106 -7.008 1.00 0.00 H new ATOM 0 HA TYR A 44 5.638 -2.274 -8.062 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.968 -0.395 -8.002 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.471 0.329 -8.553 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.273 -0.455 -5.352 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.649 2.201 -7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.300 1.065 -3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.680 3.724 -5.484 1.00 0.00 H new ATOM 0 HH TYR A 44 5.443 4.117 -3.448 1.00 0.00 H new ATOM 642 N VAL A 45 6.186 -2.914 -5.740 1.00 0.00 N ATOM 643 CA VAL A 45 6.434 -3.395 -4.386 1.00 0.00 C ATOM 644 C VAL A 45 7.905 -3.253 -4.012 1.00 0.00 C ATOM 645 O VAL A 45 8.766 -3.938 -4.565 1.00 0.00 O ATOM 646 CB VAL A 45 6.017 -4.870 -4.229 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.417 -5.672 -5.457 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.629 -5.465 -2.970 1.00 0.00 C ATOM 0 H VAL A 45 6.683 -3.427 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 45 5.831 -2.781 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 45 4.932 -4.915 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.114 -6.711 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.926 -5.258 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.498 -5.623 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.324 -6.507 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.716 -5.409 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.286 -4.906 -2.099 1.00 0.00 H new ATOM 658 N ARG A 46 8.187 -2.358 -3.071 1.00 0.00 N ATOM 659 CA ARG A 46 9.555 -2.124 -2.624 1.00 0.00 C ATOM 660 C ARG A 46 9.675 -2.323 -1.116 1.00 0.00 C ATOM 661 O ARG A 46 8.878 -1.791 -0.343 1.00 0.00 O ATOM 662 CB ARG A 46 10.003 -0.711 -3.000 1.00 0.00 C ATOM 663 CG ARG A 46 11.484 -0.460 -2.771 1.00 0.00 C ATOM 664 CD ARG A 46 11.751 0.058 -1.366 1.00 0.00 C ATOM 665 NE ARG A 46 13.177 0.248 -1.114 1.00 0.00 N ATOM 666 CZ ARG A 46 13.656 1.088 -0.203 1.00 0.00 C ATOM 667 NH1 ARG A 46 12.829 1.810 0.539 1.00 0.00 N ATOM 668 NH2 ARG A 46 14.967 1.205 -0.033 1.00 0.00 N ATOM 0 H ARG A 46 7.486 -1.783 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 46 10.202 -2.847 -3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.771 -0.533 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.427 0.010 -2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.040 -1.384 -2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.849 0.262 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.229 1.004 -1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.345 -0.644 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 46 13.841 -0.294 -1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.821 1.722 0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.201 2.454 1.237 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.607 0.650 -0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.335 1.850 0.666 1.00 0.00 H new ATOM 682 N VAL A 47 10.677 -3.093 -0.704 1.00 0.00 N ATOM 683 CA VAL A 47 10.903 -3.362 0.712 1.00 0.00 C ATOM 684 C VAL A 47 12.258 -2.829 1.163 1.00 0.00 C ATOM 685 O VAL A 47 13.299 -3.227 0.640 1.00 0.00 O ATOM 686 CB VAL A 47 10.829 -4.870 1.015 1.00 0.00 C ATOM 687 CG1 VAL A 47 11.686 -5.655 0.033 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.258 -5.147 2.448 1.00 0.00 C ATOM 0 H VAL A 47 11.345 -3.542 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 47 10.114 -2.850 1.262 1.00 0.00 H new ATOM 0 HB VAL A 47 9.795 -5.195 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.621 -6.719 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.329 -5.481 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.723 -5.329 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.200 -6.217 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.283 -4.807 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.599 -4.615 3.134 1.00 0.00 H new ATOM 698 N VAL A 48 12.238 -1.927 2.139 1.00 0.00 N ATOM 699 CA VAL A 48 13.465 -1.340 2.663 1.00 0.00 C ATOM 700 C VAL A 48 14.391 -2.413 3.226 1.00 0.00 C ATOM 701 O VAL A 48 13.953 -3.311 3.946 1.00 0.00 O ATOM 702 CB VAL A 48 13.167 -0.306 3.765 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.301 -0.921 4.854 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.462 0.240 4.347 1.00 0.00 C ATOM 0 H VAL A 48 11.385 -1.587 2.583 1.00 0.00 H new ATOM 0 HA VAL A 48 13.957 -0.840 1.829 1.00 0.00 H new ATOM 0 HB VAL A 48 12.616 0.524 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.101 -0.176 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.359 -1.259 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.822 -1.770 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.233 0.969 5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.041 -0.578 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.041 0.720 3.558 1.00 0.00 H new ATOM 857 N GLY A 58 12.814 -3.957 8.219 1.00 0.00 N ATOM 858 CA GLY A 58 11.724 -4.314 9.108 1.00 0.00 C ATOM 859 C GLY A 58 10.368 -3.956 8.534 1.00 0.00 C ATOM 860 O GLY A 58 9.345 -4.493 8.960 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.759 -5.385 9.309 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.857 -3.806 10.063 1.00 0.00 H new ATOM 864 N CYS A 59 10.358 -3.045 7.568 1.00 0.00 N ATOM 865 CA CYS A 59 9.116 -2.613 6.937 1.00 0.00 C ATOM 866 C CYS A 59 9.253 -2.601 5.418 1.00 0.00 C ATOM 867 O CYS A 59 10.336 -2.828 4.881 1.00 0.00 O ATOM 868 CB CYS A 59 8.723 -1.221 7.436 1.00 0.00 C ATOM 869 SG CYS A 59 9.010 -0.963 9.203 1.00 0.00 S ATOM 0 H CYS A 59 11.196 -2.591 7.204 1.00 0.00 H new ATOM 0 HA CYS A 59 8.334 -3.323 7.208 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.284 -0.474 6.875 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.667 -1.055 7.222 1.00 0.00 H new ATOM 0 HG CYS A 59 8.852 0.295 9.489 1.00 0.00 H new ATOM 875 N ALA A 60 8.146 -2.336 4.731 1.00 0.00 N ATOM 876 CA ALA A 60 8.143 -2.295 3.274 1.00 0.00 C ATOM 877 C ALA A 60 7.012 -1.415 2.753 1.00 0.00 C ATOM 878 O ALA A 60 5.992 -1.237 3.419 1.00 0.00 O ATOM 879 CB ALA A 60 8.024 -3.702 2.707 1.00 0.00 C ATOM 0 H ALA A 60 7.240 -2.147 5.160 1.00 0.00 H new ATOM 0 HA ALA A 60 9.087 -1.861 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.023 -3.657 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.869 -4.303 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.095 -4.156 3.052 1.00 0.00 H new ATOM 885 N PHE A 61 7.200 -0.864 1.558 1.00 0.00 N ATOM 886 CA PHE A 61 6.196 0.000 0.947 1.00 0.00 C ATOM 887 C PHE A 61 5.710 -0.583 -0.376 1.00 0.00 C ATOM 888 O PHE A 61 6.506 -1.039 -1.196 1.00 0.00 O ATOM 889 CB PHE A 61 6.768 1.401 0.721 1.00 0.00 C ATOM 890 CG PHE A 61 7.481 1.958 1.921 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.827 1.701 2.125 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.805 2.740 2.843 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.484 2.212 3.228 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.457 3.254 3.948 1.00 0.00 C ATOM 895 CZ PHE A 61 8.799 2.990 4.140 1.00 0.00 C ATOM 0 H PHE A 61 8.038 -1.000 0.993 1.00 0.00 H new ATOM 0 HA PHE A 61 5.347 0.067 1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.459 1.371 -0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.958 2.075 0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.369 1.095 1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.756 2.951 2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.533 2.003 3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.918 3.861 4.660 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.312 3.391 5.002 1.00 0.00 H new ATOM 905 N ALA A 62 4.396 -0.564 -0.577 1.00 0.00 N ATOM 906 CA ALA A 62 3.802 -1.089 -1.800 1.00 0.00 C ATOM 907 C ALA A 62 2.738 -0.142 -2.344 1.00 0.00 C ATOM 908 O ALA A 62 2.312 0.786 -1.657 1.00 0.00 O ATOM 909 CB ALA A 62 3.207 -2.467 -1.550 1.00 0.00 C ATOM 0 H ALA A 62 3.723 -0.190 0.092 1.00 0.00 H new ATOM 0 HA ALA A 62 4.590 -1.177 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.767 -2.846 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.991 -3.147 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.436 -2.397 -0.783 1.00 0.00 H new ATOM 915 N GLN A 63 2.314 -0.383 -3.580 1.00 0.00 N ATOM 916 CA GLN A 63 1.300 0.451 -4.215 1.00 0.00 C ATOM 917 C GLN A 63 0.262 -0.406 -4.933 1.00 0.00 C ATOM 918 O GLN A 63 0.589 -1.445 -5.507 1.00 0.00 O ATOM 919 CB GLN A 63 1.952 1.418 -5.205 1.00 0.00 C ATOM 920 CG GLN A 63 1.172 2.709 -5.396 1.00 0.00 C ATOM 921 CD GLN A 63 1.698 3.543 -6.548 1.00 0.00 C ATOM 922 OE1 GLN A 63 2.880 3.480 -6.887 1.00 0.00 O ATOM 923 NE2 GLN A 63 0.820 4.331 -7.158 1.00 0.00 N ATOM 0 H GLN A 63 2.656 -1.148 -4.161 1.00 0.00 H new ATOM 0 HA GLN A 63 0.796 1.023 -3.436 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.957 1.658 -4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.058 0.921 -6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.123 2.472 -5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.216 3.295 -4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.150 4.352 -6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.116 4.915 -7.940 1.00 0.00 H new ATOM 932 N PHE A 64 -0.991 0.036 -4.895 1.00 0.00 N ATOM 933 CA PHE A 64 -2.077 -0.691 -5.541 1.00 0.00 C ATOM 934 C PHE A 64 -2.514 0.009 -6.824 1.00 0.00 C ATOM 935 O PHE A 64 -2.073 1.120 -7.118 1.00 0.00 O ATOM 936 CB PHE A 64 -3.267 -0.823 -4.588 1.00 0.00 C ATOM 937 CG PHE A 64 -3.237 -2.076 -3.761 1.00 0.00 C ATOM 938 CD1 PHE A 64 -3.738 -3.266 -4.263 1.00 0.00 C ATOM 939 CD2 PHE A 64 -2.708 -2.064 -2.480 1.00 0.00 C ATOM 940 CE1 PHE A 64 -3.712 -4.421 -3.504 1.00 0.00 C ATOM 941 CE2 PHE A 64 -2.678 -3.216 -1.717 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.182 -4.396 -2.229 1.00 0.00 C ATOM 0 H PHE A 64 -1.279 0.894 -4.424 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.713 -1.686 -5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.288 0.041 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.190 -0.802 -5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.154 -3.292 -5.259 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.315 -1.144 -2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.106 -5.342 -3.908 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.261 -3.194 -0.721 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.162 -5.297 -1.634 1.00 0.00 H new ATOM 952 N MET A 65 -3.382 -0.649 -7.585 1.00 0.00 N ATOM 953 CA MET A 65 -3.879 -0.090 -8.836 1.00 0.00 C ATOM 954 C MET A 65 -5.213 0.618 -8.624 1.00 0.00 C ATOM 955 O MET A 65 -5.610 1.471 -9.419 1.00 0.00 O ATOM 956 CB MET A 65 -4.035 -1.192 -9.886 1.00 0.00 C ATOM 957 CG MET A 65 -2.751 -1.500 -10.639 1.00 0.00 C ATOM 958 SD MET A 65 -2.476 -0.383 -12.028 1.00 0.00 S ATOM 959 CE MET A 65 -0.710 -0.565 -12.264 1.00 0.00 C ATOM 0 H MET A 65 -3.756 -1.570 -7.357 1.00 0.00 H new ATOM 0 HA MET A 65 -3.153 0.641 -9.191 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.387 -2.101 -9.398 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.803 -0.896 -10.600 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.907 -1.435 -9.952 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.786 -2.526 -11.004 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.366 0.156 -13.006 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.196 -0.386 -11.319 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.491 -1.575 -12.611 1.00 0.00 H new ATOM 969 N THR A 66 -5.903 0.260 -7.545 1.00 0.00 N ATOM 970 CA THR A 66 -7.193 0.860 -7.229 1.00 0.00 C ATOM 971 C THR A 66 -7.305 1.170 -5.741 1.00 0.00 C ATOM 972 O THR A 66 -7.036 0.315 -4.898 1.00 0.00 O ATOM 973 CB THR A 66 -8.357 -0.062 -7.639 1.00 0.00 C ATOM 974 OG1 THR A 66 -8.176 -1.363 -7.068 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.451 -0.176 -9.153 1.00 0.00 C ATOM 0 H THR A 66 -5.589 -0.443 -6.875 1.00 0.00 H new ATOM 0 HA THR A 66 -7.257 1.788 -7.797 1.00 0.00 H new ATOM 0 HB THR A 66 -9.284 0.373 -7.265 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.921 -1.943 -7.332 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.280 -0.832 -9.418 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.618 0.812 -9.583 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.522 -0.589 -9.545 1.00 0.00 H new ATOM 983 N GLN A 67 -7.705 2.398 -5.426 1.00 0.00 N ATOM 984 CA GLN A 67 -7.852 2.820 -4.038 1.00 0.00 C ATOM 985 C GLN A 67 -8.479 1.714 -3.196 1.00 0.00 C ATOM 986 O GLN A 67 -7.929 1.315 -2.170 1.00 0.00 O ATOM 987 CB GLN A 67 -8.707 4.086 -3.956 1.00 0.00 C ATOM 988 CG GLN A 67 -7.930 5.364 -4.230 1.00 0.00 C ATOM 989 CD GLN A 67 -8.826 6.511 -4.655 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.497 6.442 -5.685 1.00 0.00 O ATOM 991 NE2 GLN A 67 -8.841 7.575 -3.861 1.00 0.00 N ATOM 0 H GLN A 67 -7.933 3.117 -6.112 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.859 3.034 -3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.526 4.008 -4.671 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.155 4.148 -2.964 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.380 5.650 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.192 5.176 -5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.269 7.589 -3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.425 8.378 -4.095 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.633 1.223 -3.637 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.334 0.163 -2.922 1.00 0.00 C ATOM 1002 C GLU A 68 -9.384 -0.978 -2.571 1.00 0.00 C ATOM 1003 O GLU A 68 -9.503 -1.597 -1.515 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.497 -0.368 -3.764 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.652 -0.906 -2.936 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.937 -1.019 -3.732 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.936 -1.725 -4.763 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -14.944 -0.402 -3.326 1.00 0.00 O ATOM 0 H GLU A 68 -10.102 1.542 -4.485 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.727 0.583 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.864 0.432 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.130 -1.159 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.386 -1.887 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.816 -0.252 -2.080 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.440 -1.251 -3.467 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.468 -2.315 -3.252 1.00 0.00 C ATOM 1017 C ALA A 69 -6.730 -2.127 -1.931 1.00 0.00 C ATOM 1018 O ALA A 69 -6.848 -2.948 -1.021 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.479 -2.368 -4.408 1.00 0.00 C ATOM 0 H ALA A 69 -8.329 -0.750 -4.348 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.007 -3.261 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.759 -3.167 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.016 -2.559 -5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.954 -1.416 -4.481 1.00 0.00 H new ATOM 1025 N ALA A 70 -5.969 -1.042 -1.832 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.214 -0.747 -0.621 1.00 0.00 C ATOM 1027 C ALA A 70 -6.080 -0.919 0.622 1.00 0.00 C ATOM 1028 O ALA A 70 -5.660 -1.537 1.600 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.650 0.665 -0.683 1.00 0.00 C ATOM 0 H ALA A 70 -5.859 -0.353 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.388 -1.455 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.088 0.873 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.990 0.755 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.468 1.380 -0.776 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.288 -0.369 0.577 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.212 -0.462 1.701 1.00 0.00 C ATOM 1037 C GLN A 71 -8.541 -1.917 2.017 1.00 0.00 C ATOM 1038 O GLN A 71 -8.601 -2.312 3.182 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.498 0.309 1.397 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.259 1.755 0.993 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.109 2.390 1.750 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -8.316 3.094 2.739 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -6.889 2.144 1.289 1.00 0.00 N ATOM 0 H GLN A 71 -7.650 0.146 -0.226 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.729 -0.020 2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.036 -0.199 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.141 0.288 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.054 1.800 -0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.167 2.332 1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.764 1.555 0.466 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.076 2.544 1.758 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.752 -2.711 0.973 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.074 -4.124 1.138 1.00 0.00 C ATOM 1054 C LYS A 72 -7.936 -4.863 1.835 1.00 0.00 C ATOM 1055 O LYS A 72 -8.152 -5.895 2.471 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.355 -4.766 -0.223 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.704 -4.384 -0.808 1.00 0.00 C ATOM 1058 CD LYS A 72 -10.921 -5.020 -2.171 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.253 -4.604 -2.775 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.814 -5.659 -3.663 1.00 0.00 N ATOM 0 H LYS A 72 -8.706 -2.400 0.003 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.966 -4.198 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.570 -4.476 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.306 -5.850 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.498 -4.696 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.769 -3.300 -0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.111 -4.732 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.886 -6.105 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.962 -4.387 -1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.122 -3.683 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.722 -5.336 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.149 -5.848 -4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.963 -6.530 -3.115 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.727 -4.328 1.713 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.555 -4.937 2.332 1.00 0.00 C ATOM 1076 C CYS A 73 -5.480 -4.587 3.815 1.00 0.00 C ATOM 1077 O CYS A 73 -5.050 -5.400 4.635 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.280 -4.477 1.623 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.762 -4.803 2.549 1.00 0.00 S ATOM 0 H CYS A 73 -6.532 -3.474 1.191 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.645 -6.019 2.236 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.216 -4.974 0.655 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.351 -3.407 1.428 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.057 -5.371 3.681 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.901 -3.373 4.153 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.880 -2.914 5.538 1.00 0.00 C ATOM 1087 C LEU A 74 -6.898 -3.678 6.379 1.00 0.00 C ATOM 1088 O LEU A 74 -6.532 -4.421 7.290 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.171 -1.414 5.603 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.320 -0.525 4.696 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -5.816 0.912 4.738 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -3.855 -0.598 5.102 1.00 0.00 C ATOM 0 H LEU A 74 -6.261 -2.689 3.487 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.886 -3.103 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.220 -1.257 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.037 -1.083 6.633 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.412 -0.889 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.198 1.529 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.851 0.950 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.755 1.288 5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.263 0.041 4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.746 -0.260 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.505 -1.627 5.019 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.176 -3.492 6.067 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.246 -4.166 6.791 1.00 0.00 C ATOM 1106 C ALA A 75 -8.936 -5.648 6.973 1.00 0.00 C ATOM 1107 O ALA A 75 -9.397 -6.276 7.926 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.570 -3.987 6.064 1.00 0.00 C ATOM 0 H ALA A 75 -8.496 -2.879 5.317 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.324 -3.713 7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.360 -4.496 6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.804 -2.925 5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.496 -4.412 5.063 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.153 -6.202 6.052 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.782 -7.610 6.112 1.00 0.00 C ATOM 1116 C ALA A 76 -6.497 -7.805 6.911 1.00 0.00 C ATOM 1117 O ALA A 76 -6.309 -8.834 7.560 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.623 -8.174 4.708 1.00 0.00 C ATOM 0 H ALA A 76 -7.764 -5.697 5.256 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.581 -8.150 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.346 -9.226 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.565 -8.077 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.844 -7.623 4.181 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.616 -6.811 6.858 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.350 -6.874 7.578 1.00 0.00 C ATOM 1126 C ALA A 77 -4.562 -6.694 9.078 1.00 0.00 C ATOM 1127 O ALA A 77 -3.789 -7.204 9.889 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.390 -5.820 7.049 1.00 0.00 C ATOM 0 H ALA A 77 -5.756 -5.953 6.324 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.916 -7.860 7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.449 -5.878 7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.206 -5.995 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.827 -4.830 7.183 1.00 0.00 H new ATOM 1134 N SER A 78 -5.613 -5.965 9.439 1.00 0.00 N ATOM 1135 CA SER A 78 -5.924 -5.714 10.842 1.00 0.00 C ATOM 1136 C SER A 78 -6.868 -6.780 11.388 1.00 0.00 C ATOM 1137 O SER A 78 -8.038 -6.844 11.007 1.00 0.00 O ATOM 1138 CB SER A 78 -6.550 -4.328 11.007 1.00 0.00 C ATOM 1139 OG SER A 78 -6.313 -3.814 12.306 1.00 0.00 O ATOM 0 H SER A 78 -6.264 -5.538 8.780 1.00 0.00 H new ATOM 0 HA SER A 78 -4.993 -5.754 11.408 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.137 -3.648 10.262 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.623 -4.386 10.825 1.00 0.00 H new ATOM 0 HG SER A 78 -6.721 -2.927 12.386 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.697 -10.798 8.454 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.645 -11.367 7.618 1.00 0.00 C ATOM 1227 C LEU A 86 -1.359 -11.558 8.416 1.00 0.00 C ATOM 1228 O LEU A 86 -0.973 -10.698 9.209 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.381 -10.465 6.412 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.201 -10.765 5.157 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.652 -10.357 5.357 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.607 -10.055 3.949 1.00 0.00 C ATOM 0 HA LEU A 86 -2.981 -12.343 7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.570 -9.433 6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.324 -10.535 6.156 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.169 -11.839 4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.220 -10.578 4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.074 -10.911 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.704 -9.288 5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.204 -10.280 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.607 -8.979 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.584 -10.397 3.793 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.698 -12.690 8.200 1.00 0.00 N ATOM 1245 CA LYS A 87 0.547 -12.994 8.896 1.00 0.00 C ATOM 1246 C LYS A 87 1.527 -13.708 7.970 1.00 0.00 C ATOM 1247 O LYS A 87 1.140 -14.587 7.199 1.00 0.00 O ATOM 1248 CB LYS A 87 0.269 -13.859 10.127 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.192 -13.065 11.337 1.00 0.00 C ATOM 1250 CD LYS A 87 0.319 -13.674 12.632 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.706 -14.613 13.249 1.00 0.00 C ATOM 1252 NZ LYS A 87 -0.622 -15.983 12.671 1.00 0.00 N ATOM 0 H LYS A 87 -1.004 -13.413 7.548 1.00 0.00 H new ATOM 0 HA LYS A 87 0.995 -12.053 9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.492 -14.598 9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.174 -14.408 10.387 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.160 -12.037 11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.281 -13.029 11.356 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.243 -14.219 12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.559 -12.880 13.339 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.550 -14.663 14.327 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.707 -14.213 13.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.337 -16.593 13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.796 -15.939 11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.325 -16.376 12.845 1.00 0.00 H new ATOM 1266 N LEU A 88 2.797 -13.327 8.053 1.00 0.00 N ATOM 1267 CA LEU A 88 3.833 -13.932 7.224 1.00 0.00 C ATOM 1268 C LEU A 88 4.842 -14.690 8.080 1.00 0.00 C ATOM 1269 O LEU A 88 5.728 -14.091 8.690 1.00 0.00 O ATOM 1270 CB LEU A 88 4.549 -12.858 6.402 1.00 0.00 C ATOM 1271 CG LEU A 88 5.255 -13.342 5.135 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.261 -13.496 3.995 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.370 -12.381 4.747 1.00 0.00 C ATOM 0 H LEU A 88 3.134 -12.602 8.686 1.00 0.00 H new ATOM 0 HA LEU A 88 3.354 -14.640 6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.820 -12.099 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.286 -12.371 7.041 1.00 0.00 H new ATOM 0 HG LEU A 88 5.697 -14.318 5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.782 -13.841 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.498 -14.223 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.789 -12.535 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.862 -12.740 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.950 -11.392 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.097 -12.321 5.557 1.00 0.00 H new ATOM 1285 N ASP A 89 4.704 -16.011 8.119 1.00 0.00 N ATOM 1286 CA ASP A 89 5.605 -16.851 8.897 1.00 0.00 C ATOM 1287 C ASP A 89 5.324 -16.713 10.390 1.00 0.00 C ATOM 1288 O ASP A 89 6.203 -16.937 11.222 1.00 0.00 O ATOM 1289 CB ASP A 89 7.061 -16.484 8.604 1.00 0.00 C ATOM 1290 CG ASP A 89 7.301 -16.199 7.135 1.00 0.00 C ATOM 1291 OD1 ASP A 89 7.171 -17.137 6.320 1.00 0.00 O ATOM 1292 OD2 ASP A 89 7.620 -15.039 6.799 1.00 0.00 O ATOM 0 H ASP A 89 3.976 -16.523 7.620 1.00 0.00 H new ATOM 0 HA ASP A 89 5.435 -17.888 8.607 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.337 -15.608 9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.710 -17.299 8.924 1.00 0.00 H new ATOM 1297 N GLY A 90 4.091 -16.341 10.723 1.00 0.00 N ATOM 1298 CA GLY A 90 3.716 -16.178 12.115 1.00 0.00 C ATOM 1299 C GLY A 90 4.036 -14.794 12.644 1.00 0.00 C ATOM 1300 O GLY A 90 4.388 -14.635 13.813 1.00 0.00 O ATOM 0 H GLY A 90 3.346 -16.150 10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.648 -16.368 12.225 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.236 -16.923 12.718 1.00 0.00 H new ATOM 1304 N ARG A 91 3.916 -13.791 11.781 1.00 0.00 N ATOM 1305 CA ARG A 91 4.198 -12.413 12.167 1.00 0.00 C ATOM 1306 C ARG A 91 3.058 -11.488 11.753 1.00 0.00 C ATOM 1307 O ARG A 91 2.619 -11.506 10.603 1.00 0.00 O ATOM 1308 CB ARG A 91 5.508 -11.941 11.532 1.00 0.00 C ATOM 1309 CG ARG A 91 6.702 -12.818 11.876 1.00 0.00 C ATOM 1310 CD ARG A 91 7.400 -12.338 13.139 1.00 0.00 C ATOM 1311 NE ARG A 91 6.806 -12.912 14.343 1.00 0.00 N ATOM 1312 CZ ARG A 91 7.254 -12.669 15.570 1.00 0.00 C ATOM 1313 NH1 ARG A 91 8.293 -11.866 15.754 1.00 0.00 N ATOM 1314 NH2 ARG A 91 6.660 -13.228 16.617 1.00 0.00 N ATOM 0 H ARG A 91 3.626 -13.906 10.810 1.00 0.00 H new ATOM 0 HA ARG A 91 4.295 -12.379 13.252 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.388 -11.914 10.449 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.712 -10.920 11.856 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.372 -13.848 12.011 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.408 -12.816 11.045 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.456 -12.604 13.093 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.347 -11.251 13.192 1.00 0.00 H new ATOM 0 HE ARG A 91 6.004 -13.533 14.236 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.751 -11.433 14.952 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.634 -11.682 16.697 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.859 -13.845 16.480 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.004 -13.041 17.559 1.00 0.00 H new ATOM 1328 N GLN A 92 2.584 -10.683 12.698 1.00 0.00 N ATOM 1329 CA GLN A 92 1.493 -9.752 12.431 1.00 0.00 C ATOM 1330 C GLN A 92 1.978 -8.571 11.597 1.00 0.00 C ATOM 1331 O GLN A 92 2.701 -7.704 12.090 1.00 0.00 O ATOM 1332 CB GLN A 92 0.890 -9.250 13.744 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.295 -10.074 14.222 1.00 0.00 C ATOM 1334 CD GLN A 92 -1.619 -9.548 13.702 1.00 0.00 C ATOM 1335 OE1 GLN A 92 -2.158 -8.570 14.220 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -2.150 -10.197 12.672 1.00 0.00 N ATOM 0 H GLN A 92 2.937 -10.656 13.654 1.00 0.00 H new ATOM 0 HA GLN A 92 0.726 -10.282 11.866 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.661 -9.256 14.514 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.575 -8.214 13.617 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.167 -11.108 13.900 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.313 -10.079 15.312 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.668 -11.003 12.274 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.040 -9.889 12.279 1.00 0.00 H new ATOM 1345 N LEU A 93 1.576 -8.542 10.331 1.00 0.00 N ATOM 1346 CA LEU A 93 1.970 -7.467 9.427 1.00 0.00 C ATOM 1347 C LEU A 93 1.049 -6.261 9.582 1.00 0.00 C ATOM 1348 O LEU A 93 -0.171 -6.379 9.468 1.00 0.00 O ATOM 1349 CB LEU A 93 1.947 -7.958 7.978 1.00 0.00 C ATOM 1350 CG LEU A 93 2.580 -9.326 7.723 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.004 -9.955 6.463 1.00 0.00 C ATOM 1352 CD2 LEU A 93 4.093 -9.202 7.615 1.00 0.00 C ATOM 0 H LEU A 93 0.977 -9.251 9.907 1.00 0.00 H new ATOM 0 HA LEU A 93 2.984 -7.162 9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.910 -7.992 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.459 -7.222 7.358 1.00 0.00 H new ATOM 0 HG LEU A 93 2.348 -9.975 8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.467 -10.928 6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.927 -10.080 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.205 -9.308 5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.527 -10.185 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.346 -8.536 6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.492 -8.795 8.544 1.00 0.00 H new ATOM 1364 N LYS A 94 1.642 -5.100 9.840 1.00 0.00 N ATOM 1365 CA LYS A 94 0.877 -3.870 10.007 1.00 0.00 C ATOM 1366 C LYS A 94 0.863 -3.058 8.716 1.00 0.00 C ATOM 1367 O LYS A 94 1.840 -2.386 8.384 1.00 0.00 O ATOM 1368 CB LYS A 94 1.464 -3.031 11.144 1.00 0.00 C ATOM 1369 CG LYS A 94 0.864 -3.344 12.504 1.00 0.00 C ATOM 1370 CD LYS A 94 1.169 -2.250 13.514 1.00 0.00 C ATOM 1371 CE LYS A 94 0.528 -2.542 14.862 1.00 0.00 C ATOM 1372 NZ LYS A 94 -0.868 -2.028 14.936 1.00 0.00 N ATOM 0 H LYS A 94 2.651 -4.985 9.938 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.149 -4.141 10.256 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.541 -3.193 11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.309 -1.975 10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.215 -3.461 12.408 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.257 -4.294 12.866 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.248 -2.156 13.636 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.806 -1.294 13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.529 -3.618 15.039 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.124 -2.088 15.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.269 -2.247 15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.867 -0.998 14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.444 -2.480 14.197 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.250 -3.124 7.993 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.391 -2.393 6.739 1.00 0.00 C ATOM 1388 C VAL A 95 -1.180 -1.104 6.941 1.00 0.00 C ATOM 1389 O VAL A 95 -2.311 -1.126 7.427 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.092 -3.248 5.667 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.126 -2.512 4.336 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.399 -4.594 5.523 1.00 0.00 C ATOM 0 H VAL A 95 -1.067 -3.676 8.254 1.00 0.00 H new ATOM 0 HA VAL A 95 0.616 -2.150 6.399 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.120 -3.426 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.625 -3.131 3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.670 -1.575 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.107 -2.302 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.907 -5.185 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.639 -4.439 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.431 -5.124 6.475 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.576 0.018 6.565 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.222 1.318 6.703 1.00 0.00 C ATOM 1404 C ASP A 96 -0.974 2.182 5.470 1.00 0.00 C ATOM 1405 O ASP A 96 0.097 2.125 4.865 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.713 2.034 7.954 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.687 3.080 8.460 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.683 2.699 9.110 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -1.453 4.280 8.206 1.00 0.00 O ATOM 0 H ASP A 96 0.360 0.053 6.162 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.295 1.154 6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.531 1.301 8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.243 2.509 7.734 1.00 0.00 H new ATOM 1414 N LEU A 97 -1.971 2.979 5.103 1.00 0.00 N ATOM 1415 CA LEU A 97 -1.862 3.855 3.942 1.00 0.00 C ATOM 1416 C LEU A 97 -0.734 4.866 4.126 1.00 0.00 C ATOM 1417 O LEU A 97 -0.901 5.880 4.802 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.184 4.586 3.704 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.327 5.293 2.355 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -1.988 5.854 1.902 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -3.890 4.340 1.311 1.00 0.00 C ATOM 0 H LEU A 97 -2.864 3.037 5.592 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.634 3.238 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.997 3.866 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.315 5.325 4.495 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.024 6.123 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.109 6.353 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.625 6.570 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.269 5.041 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.985 4.860 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.218 3.489 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.870 3.987 1.631 1.00 0.00 H new ATOM 1433 N ALA A 98 0.412 4.583 3.517 1.00 0.00 N ATOM 1434 CA ALA A 98 1.566 5.469 3.610 1.00 0.00 C ATOM 1435 C ALA A 98 1.414 6.668 2.679 1.00 0.00 C ATOM 1436 O ALA A 98 0.583 6.660 1.771 1.00 0.00 O ATOM 1437 CB ALA A 98 2.844 4.708 3.288 1.00 0.00 C ATOM 0 H ALA A 98 0.567 3.747 2.954 1.00 0.00 H new ATOM 0 HA ALA A 98 1.625 5.841 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.697 5.382 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.967 3.888 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.784 4.308 2.276 1.00 0.00 H new ATOM 1443 N VAL A 99 2.221 7.698 2.912 1.00 0.00 N ATOM 1444 CA VAL A 99 2.176 8.904 2.094 1.00 0.00 C ATOM 1445 C VAL A 99 3.557 9.247 1.545 1.00 0.00 C ATOM 1446 O VAL A 99 4.430 9.715 2.277 1.00 0.00 O ATOM 1447 CB VAL A 99 1.641 10.106 2.895 1.00 0.00 C ATOM 1448 CG1 VAL A 99 1.889 11.403 2.142 1.00 0.00 C ATOM 1449 CG2 VAL A 99 0.160 9.928 3.196 1.00 0.00 C ATOM 0 H VAL A 99 2.914 7.721 3.660 1.00 0.00 H new ATOM 0 HA VAL A 99 1.499 8.699 1.265 1.00 0.00 H new ATOM 0 HB VAL A 99 2.177 10.157 3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.504 12.241 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.960 11.533 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.381 11.367 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.202 10.786 3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.395 9.850 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.014 9.020 3.781 1.00 0.00 H new