USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=12 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 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= 0.122 X(o=0.12,f=-0.2) USER MOD Single : A 24 SER OG : rot -143:sc= 0.344 USER MOD Single : A 27 SER OG : rot -110:sc= -0.701 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.0826 F(o=-0.62,f=-0.083) USER MOD Single : A 38 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.0031) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.674 USER MOD Single : A 63 GLN : amide:sc= -2.12 K(o=-2.1,f=-2.8) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.4 F(o=-6.7!,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc=-0.00375 (180deg=-0.138) USER MOD Single : A 73 CYS SG : rot 60:sc= -10.5! 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+ 160:sc= -0.0175 (180deg=-0.199) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.370 7.793 -5.871 1.00 0.00 N ATOM 168 CA GLY A 15 -3.349 8.006 -4.435 1.00 0.00 C ATOM 169 C GLY A 15 -3.543 6.720 -3.656 1.00 0.00 C ATOM 170 O GLY A 15 -4.318 6.675 -2.700 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.399 8.459 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.133 8.713 -4.164 1.00 0.00 H new ATOM 174 N LYS A 16 -2.839 5.670 -4.065 1.00 0.00 N ATOM 175 CA LYS A 16 -2.937 4.377 -3.399 1.00 0.00 C ATOM 176 C LYS A 16 -1.572 3.922 -2.891 1.00 0.00 C ATOM 177 O LYS A 16 -0.638 3.735 -3.671 1.00 0.00 O ATOM 178 CB LYS A 16 -3.511 3.330 -4.356 1.00 0.00 C ATOM 179 CG LYS A 16 -4.519 3.895 -5.341 1.00 0.00 C ATOM 180 CD LYS A 16 -4.550 3.091 -6.631 1.00 0.00 C ATOM 181 CE LYS A 16 -5.256 3.850 -7.744 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.319 4.726 -8.500 1.00 0.00 N ATOM 0 H LYS A 16 -2.194 5.689 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.606 4.486 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.693 2.869 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.987 2.540 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.510 3.896 -4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.269 4.932 -5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.531 2.856 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.058 2.142 -6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.722 3.141 -8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.056 4.456 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.839 5.226 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.893 5.420 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.569 4.145 -8.927 1.00 0.00 H new ATOM 196 N THR A 17 -1.464 3.743 -1.578 1.00 0.00 N ATOM 197 CA THR A 17 -0.214 3.310 -0.966 1.00 0.00 C ATOM 198 C THR A 17 -0.467 2.292 0.140 1.00 0.00 C ATOM 199 O THR A 17 -1.585 2.170 0.642 1.00 0.00 O ATOM 200 CB THR A 17 0.569 4.501 -0.382 1.00 0.00 C ATOM 201 OG1 THR A 17 1.046 5.339 -1.441 1.00 0.00 O ATOM 202 CG2 THR A 17 1.741 4.019 0.458 1.00 0.00 C ATOM 0 H THR A 17 -2.227 3.891 -0.918 1.00 0.00 H new ATOM 0 HA THR A 17 0.379 2.847 -1.754 1.00 0.00 H new ATOM 0 HB THR A 17 -0.104 5.072 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.541 6.095 -1.062 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.279 4.878 0.860 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.372 3.406 1.280 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.414 3.427 -0.162 1.00 0.00 H new ATOM 210 N VAL A 18 0.578 1.562 0.517 1.00 0.00 N ATOM 211 CA VAL A 18 0.469 0.555 1.565 1.00 0.00 C ATOM 212 C VAL A 18 1.823 0.286 2.212 1.00 0.00 C ATOM 213 O VAL A 18 2.762 -0.155 1.550 1.00 0.00 O ATOM 214 CB VAL A 18 -0.098 -0.768 1.017 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.375 -0.517 0.229 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.939 -1.475 0.156 1.00 0.00 C ATOM 0 H VAL A 18 1.510 1.650 0.112 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.216 0.952 2.314 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.341 -1.416 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.761 -1.463 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.119 -0.056 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.162 0.149 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.522 -2.408 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.215 -0.834 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.824 -1.690 0.755 1.00 0.00 H new ATOM 226 N PHE A 19 1.916 0.554 3.510 1.00 0.00 N ATOM 227 CA PHE A 19 3.156 0.342 4.248 1.00 0.00 C ATOM 228 C PHE A 19 3.012 -0.815 5.232 1.00 0.00 C ATOM 229 O PHE A 19 2.093 -0.836 6.052 1.00 0.00 O ATOM 230 CB PHE A 19 3.554 1.616 4.996 1.00 0.00 C ATOM 231 CG PHE A 19 4.824 1.475 5.786 1.00 0.00 C ATOM 232 CD1 PHE A 19 6.027 1.217 5.149 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.814 1.600 7.166 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.197 1.088 5.873 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.981 1.472 7.895 1.00 0.00 C ATOM 236 CZ PHE A 19 7.174 1.214 7.248 1.00 0.00 C ATOM 0 H PHE A 19 1.147 0.919 4.073 1.00 0.00 H new ATOM 0 HA PHE A 19 3.938 0.091 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.670 2.428 4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.746 1.900 5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.051 1.116 4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.884 1.800 7.677 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.128 0.889 5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.960 1.574 8.970 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.087 1.111 7.816 1.00 0.00 H new ATOM 246 N ILE A 20 3.926 -1.776 5.144 1.00 0.00 N ATOM 247 CA ILE A 20 3.901 -2.936 6.026 1.00 0.00 C ATOM 248 C ILE A 20 4.892 -2.775 7.174 1.00 0.00 C ATOM 249 O ILE A 20 6.048 -2.410 6.962 1.00 0.00 O ATOM 250 CB ILE A 20 4.226 -4.233 5.261 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.473 -4.267 3.929 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.876 -5.448 6.106 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.178 -3.524 2.817 1.00 0.00 C ATOM 0 H ILE A 20 4.693 -1.774 4.471 1.00 0.00 H new ATOM 0 HA ILE A 20 2.890 -3.005 6.428 1.00 0.00 H new ATOM 0 HB ILE A 20 5.296 -4.257 5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.330 -5.305 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.481 -3.837 4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.111 -6.357 5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.453 -5.427 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.812 -5.433 6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.587 -3.590 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.297 -2.477 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.159 -3.968 2.648 1.00 0.00 H new ATOM 265 N ARG A 21 4.431 -3.051 8.389 1.00 0.00 N ATOM 266 CA ARG A 21 5.276 -2.937 9.571 1.00 0.00 C ATOM 267 C ARG A 21 5.421 -4.286 10.268 1.00 0.00 C ATOM 268 O ARG A 21 4.590 -5.177 10.096 1.00 0.00 O ATOM 269 CB ARG A 21 4.695 -1.908 10.544 1.00 0.00 C ATOM 270 CG ARG A 21 5.200 -0.494 10.308 1.00 0.00 C ATOM 271 CD ARG A 21 4.735 0.453 11.404 1.00 0.00 C ATOM 272 NE ARG A 21 5.449 0.230 12.658 1.00 0.00 N ATOM 273 CZ ARG A 21 5.318 1.009 13.727 1.00 0.00 C ATOM 274 NH1 ARG A 21 4.504 2.054 13.693 1.00 0.00 N ATOM 275 NH2 ARG A 21 6.002 0.741 14.832 1.00 0.00 N ATOM 0 H ARG A 21 3.477 -3.355 8.581 1.00 0.00 H new ATOM 0 HA ARG A 21 6.263 -2.605 9.249 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.608 -1.915 10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.939 -2.206 11.564 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.289 -0.498 10.266 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.845 -0.136 9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.884 1.483 11.080 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.665 0.321 11.567 1.00 0.00 H new ATOM 0 HE ARG A 21 6.083 -0.567 12.717 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.976 2.262 12.845 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.405 2.650 14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.629 -0.063 14.861 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.901 1.339 15.652 1.00 0.00 H new ATOM 289 N ASN A 22 6.483 -4.429 11.055 1.00 0.00 N ATOM 290 CA ASN A 22 6.737 -5.670 11.777 1.00 0.00 C ATOM 291 C ASN A 22 7.004 -6.818 10.809 1.00 0.00 C ATOM 292 O ASN A 22 6.553 -7.944 11.024 1.00 0.00 O ATOM 293 CB ASN A 22 5.549 -6.014 12.678 1.00 0.00 C ATOM 294 CG ASN A 22 5.941 -6.913 13.835 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.872 -6.612 14.581 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.229 -8.023 13.988 1.00 0.00 N ATOM 0 H ASN A 22 7.181 -3.701 11.209 1.00 0.00 H new ATOM 0 HA ASN A 22 7.623 -5.526 12.395 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.114 -5.094 13.068 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.777 -6.505 12.085 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.446 -8.667 14.749 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.465 -8.232 13.345 1.00 0.00 H new ATOM 303 N LEU A 23 7.740 -6.526 9.742 1.00 0.00 N ATOM 304 CA LEU A 23 8.069 -7.534 8.740 1.00 0.00 C ATOM 305 C LEU A 23 9.102 -8.519 9.277 1.00 0.00 C ATOM 306 O LEU A 23 9.932 -8.169 10.115 1.00 0.00 O ATOM 307 CB LEU A 23 8.598 -6.865 7.470 1.00 0.00 C ATOM 308 CG LEU A 23 7.551 -6.201 6.575 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.212 -5.227 5.612 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.758 -7.252 5.813 1.00 0.00 C ATOM 0 H LEU A 23 8.120 -5.599 9.549 1.00 0.00 H new ATOM 0 HA LEU A 23 7.159 -8.084 8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.331 -6.111 7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.127 -7.615 6.882 1.00 0.00 H new ATOM 0 HG LEU A 23 6.861 -5.642 7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.451 -4.764 4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.735 -4.455 6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.924 -5.763 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.017 -6.762 5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.435 -7.838 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.253 -7.910 6.520 1.00 0.00 H new ATOM 322 N SER A 24 9.045 -9.754 8.787 1.00 0.00 N ATOM 323 CA SER A 24 9.974 -10.791 9.219 1.00 0.00 C ATOM 324 C SER A 24 11.124 -10.937 8.227 1.00 0.00 C ATOM 325 O SER A 24 10.941 -10.788 7.019 1.00 0.00 O ATOM 326 CB SER A 24 9.245 -12.127 9.371 1.00 0.00 C ATOM 327 OG SER A 24 10.070 -13.090 10.004 1.00 0.00 O ATOM 0 H SER A 24 8.365 -10.060 8.091 1.00 0.00 H new ATOM 0 HA SER A 24 10.385 -10.497 10.185 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.335 -11.984 9.954 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.941 -12.493 8.390 1.00 0.00 H new ATOM 0 HG SER A 24 9.914 -13.970 9.601 1.00 0.00 H new ATOM 333 N PHE A 25 12.312 -11.229 8.747 1.00 0.00 N ATOM 334 CA PHE A 25 13.494 -11.394 7.909 1.00 0.00 C ATOM 335 C PHE A 25 13.203 -12.327 6.737 1.00 0.00 C ATOM 336 O PHE A 25 13.786 -12.189 5.661 1.00 0.00 O ATOM 337 CB PHE A 25 14.658 -11.944 8.736 1.00 0.00 C ATOM 338 CG PHE A 25 16.006 -11.502 8.241 1.00 0.00 C ATOM 339 CD1 PHE A 25 16.384 -10.171 8.316 1.00 0.00 C ATOM 340 CD2 PHE A 25 16.894 -12.418 7.700 1.00 0.00 C ATOM 341 CE1 PHE A 25 17.623 -9.761 7.861 1.00 0.00 C ATOM 342 CE2 PHE A 25 18.135 -12.014 7.244 1.00 0.00 C ATOM 343 CZ PHE A 25 18.500 -10.684 7.324 1.00 0.00 C ATOM 0 H PHE A 25 12.481 -11.356 9.745 1.00 0.00 H new ATOM 0 HA PHE A 25 13.768 -10.416 7.513 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.539 -11.628 9.772 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.616 -13.033 8.728 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.702 -9.445 8.735 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.614 -13.459 7.634 1.00 0.00 H new ATOM 0 HE1 PHE A 25 17.905 -8.721 7.925 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.819 -12.738 6.825 1.00 0.00 H new ATOM 0 HZ PHE A 25 19.469 -10.366 6.968 1.00 0.00 H new ATOM 353 N ASP A 26 12.299 -13.276 6.953 1.00 0.00 N ATOM 354 CA ASP A 26 11.930 -14.231 5.915 1.00 0.00 C ATOM 355 C ASP A 26 11.187 -13.538 4.778 1.00 0.00 C ATOM 356 O ASP A 26 11.292 -13.940 3.619 1.00 0.00 O ATOM 357 CB ASP A 26 11.062 -15.345 6.503 1.00 0.00 C ATOM 358 CG ASP A 26 10.815 -16.469 5.516 1.00 0.00 C ATOM 359 OD1 ASP A 26 11.657 -17.389 5.441 1.00 0.00 O ATOM 360 OD2 ASP A 26 9.781 -16.428 4.818 1.00 0.00 O ATOM 0 H ASP A 26 11.808 -13.404 7.838 1.00 0.00 H new ATOM 0 HA ASP A 26 12.845 -14.666 5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.546 -15.747 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.106 -14.928 6.820 1.00 0.00 H new ATOM 365 N SER A 27 10.437 -12.495 5.117 1.00 0.00 N ATOM 366 CA SER A 27 9.672 -11.748 4.125 1.00 0.00 C ATOM 367 C SER A 27 10.583 -11.226 3.017 1.00 0.00 C ATOM 368 O SER A 27 11.712 -10.809 3.274 1.00 0.00 O ATOM 369 CB SER A 27 8.937 -10.582 4.788 1.00 0.00 C ATOM 370 OG SER A 27 7.960 -10.035 3.920 1.00 0.00 O ATOM 0 H SER A 27 10.342 -12.148 6.071 1.00 0.00 H new ATOM 0 HA SER A 27 8.940 -12.424 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.461 -10.924 5.707 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.653 -9.809 5.068 1.00 0.00 H new ATOM 0 HG SER A 27 8.245 -9.145 3.626 1.00 0.00 H new ATOM 376 N GLU A 28 10.083 -11.253 1.786 1.00 0.00 N ATOM 377 CA GLU A 28 10.851 -10.783 0.639 1.00 0.00 C ATOM 378 C GLU A 28 9.962 -10.015 -0.334 1.00 0.00 C ATOM 379 O GLU A 28 8.765 -10.280 -0.437 1.00 0.00 O ATOM 380 CB GLU A 28 11.511 -11.963 -0.078 1.00 0.00 C ATOM 381 CG GLU A 28 12.378 -12.819 0.830 1.00 0.00 C ATOM 382 CD GLU A 28 13.507 -13.503 0.083 1.00 0.00 C ATOM 383 OE1 GLU A 28 13.272 -13.966 -1.053 1.00 0.00 O ATOM 384 OE2 GLU A 28 14.625 -13.575 0.635 1.00 0.00 O ATOM 0 H GLU A 28 9.150 -11.595 1.557 1.00 0.00 H new ATOM 0 HA GLU A 28 11.626 -10.109 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.736 -12.588 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.121 -11.584 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.796 -12.196 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.757 -13.574 1.313 1.00 0.00 H new ATOM 391 N GLU A 29 10.557 -9.062 -1.045 1.00 0.00 N ATOM 392 CA GLU A 29 9.819 -8.255 -2.009 1.00 0.00 C ATOM 393 C GLU A 29 8.902 -9.128 -2.861 1.00 0.00 C ATOM 394 O GLU A 29 7.786 -8.731 -3.195 1.00 0.00 O ATOM 395 CB GLU A 29 10.787 -7.483 -2.908 1.00 0.00 C ATOM 396 CG GLU A 29 10.182 -6.228 -3.516 1.00 0.00 C ATOM 397 CD GLU A 29 11.129 -5.529 -4.472 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.235 -5.975 -5.634 1.00 0.00 O ATOM 399 OE2 GLU A 29 11.765 -4.537 -4.059 1.00 0.00 O ATOM 0 H GLU A 29 11.548 -8.830 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 29 9.204 -7.545 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.668 -7.208 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.126 -8.138 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.266 -6.490 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.904 -5.540 -2.718 1.00 0.00 H new ATOM 406 N GLU A 30 9.383 -10.318 -3.208 1.00 0.00 N ATOM 407 CA GLU A 30 8.607 -11.246 -4.023 1.00 0.00 C ATOM 408 C GLU A 30 7.370 -11.727 -3.270 1.00 0.00 C ATOM 409 O GLU A 30 6.241 -11.536 -3.723 1.00 0.00 O ATOM 410 CB GLU A 30 9.467 -12.444 -4.430 1.00 0.00 C ATOM 411 CG GLU A 30 8.661 -13.628 -4.936 1.00 0.00 C ATOM 412 CD GLU A 30 8.121 -13.411 -6.336 1.00 0.00 C ATOM 413 OE1 GLU A 30 7.303 -12.486 -6.520 1.00 0.00 O ATOM 414 OE2 GLU A 30 8.518 -14.166 -7.248 1.00 0.00 O ATOM 0 H GLU A 30 10.305 -10.662 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 30 8.283 -10.719 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.165 -12.132 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.063 -12.760 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.288 -14.520 -4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.830 -13.815 -4.255 1.00 0.00 H new ATOM 421 N ALA A 31 7.591 -12.352 -2.118 1.00 0.00 N ATOM 422 CA ALA A 31 6.496 -12.859 -1.301 1.00 0.00 C ATOM 423 C ALA A 31 5.560 -11.732 -0.877 1.00 0.00 C ATOM 424 O ALA A 31 4.359 -11.774 -1.147 1.00 0.00 O ATOM 425 CB ALA A 31 7.040 -13.584 -0.079 1.00 0.00 C ATOM 0 H ALA A 31 8.519 -12.519 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 31 5.923 -13.565 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.211 -13.957 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.662 -14.420 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.638 -12.895 0.517 1.00 0.00 H new ATOM 431 N LEU A 32 6.116 -10.727 -0.210 1.00 0.00 N ATOM 432 CA LEU A 32 5.331 -9.588 0.252 1.00 0.00 C ATOM 433 C LEU A 32 4.289 -9.187 -0.787 1.00 0.00 C ATOM 434 O LEU A 32 3.091 -9.178 -0.509 1.00 0.00 O ATOM 435 CB LEU A 32 6.247 -8.401 0.557 1.00 0.00 C ATOM 436 CG LEU A 32 5.578 -7.183 1.195 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.615 -6.130 1.551 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.524 -6.604 0.262 1.00 0.00 C ATOM 0 H LEU A 32 7.108 -10.678 0.023 1.00 0.00 H new ATOM 0 HA LEU A 32 4.813 -9.882 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.042 -8.742 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.721 -8.085 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 32 5.085 -7.502 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.120 -5.271 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.332 -6.549 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.137 -5.814 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.058 -5.738 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.994 -6.300 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.764 -7.359 0.058 1.00 0.00 H new ATOM 450 N GLY A 33 4.755 -8.857 -1.988 1.00 0.00 N ATOM 451 CA GLY A 33 3.850 -8.461 -3.052 1.00 0.00 C ATOM 452 C GLY A 33 2.783 -9.503 -3.322 1.00 0.00 C ATOM 453 O GLY A 33 1.598 -9.181 -3.395 1.00 0.00 O ATOM 0 H GLY A 33 5.743 -8.857 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.373 -7.517 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.421 -8.285 -3.964 1.00 0.00 H new ATOM 457 N GLU A 34 3.204 -10.755 -3.473 1.00 0.00 N ATOM 458 CA GLU A 34 2.275 -11.846 -3.740 1.00 0.00 C ATOM 459 C GLU A 34 1.234 -11.958 -2.629 1.00 0.00 C ATOM 460 O GLU A 34 0.186 -12.580 -2.806 1.00 0.00 O ATOM 461 CB GLU A 34 3.032 -13.168 -3.879 1.00 0.00 C ATOM 462 CG GLU A 34 3.721 -13.336 -5.223 1.00 0.00 C ATOM 463 CD GLU A 34 2.767 -13.776 -6.317 1.00 0.00 C ATOM 464 OE1 GLU A 34 1.733 -13.101 -6.507 1.00 0.00 O ATOM 465 OE2 GLU A 34 3.053 -14.793 -6.981 1.00 0.00 O ATOM 0 H GLU A 34 4.182 -11.038 -3.415 1.00 0.00 H new ATOM 0 HA GLU A 34 1.761 -11.630 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.778 -13.235 -3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.335 -13.993 -3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.186 -12.393 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.522 -14.070 -5.127 1.00 0.00 H new ATOM 472 N VAL A 35 1.531 -11.352 -1.485 1.00 0.00 N ATOM 473 CA VAL A 35 0.622 -11.382 -0.345 1.00 0.00 C ATOM 474 C VAL A 35 -0.409 -10.263 -0.434 1.00 0.00 C ATOM 475 O VAL A 35 -1.542 -10.410 0.025 1.00 0.00 O ATOM 476 CB VAL A 35 1.387 -11.256 0.986 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.420 -11.266 2.160 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.412 -12.372 1.119 1.00 0.00 C ATOM 0 H VAL A 35 2.394 -10.834 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 35 0.112 -12.345 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 35 1.918 -10.304 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.978 -11.176 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.271 -10.428 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.141 -12.201 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.943 -12.267 2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.905 -13.337 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.123 -12.313 0.295 1.00 0.00 H new ATOM 488 N LEU A 36 -0.009 -9.144 -1.028 1.00 0.00 N ATOM 489 CA LEU A 36 -0.899 -7.998 -1.179 1.00 0.00 C ATOM 490 C LEU A 36 -1.558 -7.997 -2.554 1.00 0.00 C ATOM 491 O LEU A 36 -2.462 -7.205 -2.819 1.00 0.00 O ATOM 492 CB LEU A 36 -0.124 -6.695 -0.972 1.00 0.00 C ATOM 493 CG LEU A 36 0.676 -6.589 0.327 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.539 -5.336 0.322 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.257 -6.591 1.530 1.00 0.00 C ATOM 0 H LEU A 36 0.925 -9.006 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.680 -8.074 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.562 -6.567 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.830 -5.866 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 36 1.332 -7.457 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.101 -5.277 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.233 -5.375 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.903 -4.456 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.330 -6.515 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.938 -5.742 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.832 -7.517 1.543 1.00 0.00 H new ATOM 507 N GLN A 37 -1.100 -8.892 -3.424 1.00 0.00 N ATOM 508 CA GLN A 37 -1.647 -8.995 -4.772 1.00 0.00 C ATOM 509 C GLN A 37 -3.035 -9.628 -4.749 1.00 0.00 C ATOM 510 O GLN A 37 -3.898 -9.281 -5.554 1.00 0.00 O ATOM 511 CB GLN A 37 -0.713 -9.816 -5.663 1.00 0.00 C ATOM 512 CG GLN A 37 0.356 -8.984 -6.352 1.00 0.00 C ATOM 513 CD GLN A 37 0.862 -9.627 -7.629 1.00 0.00 C ATOM 514 OE1 GLN A 37 1.782 -10.574 -7.491 1.00 0.00 O flip ATOM 515 NE2 GLN A 37 0.430 -9.276 -8.728 1.00 0.00 N flip ATOM 0 H GLN A 37 -0.353 -9.555 -3.220 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.734 -7.988 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.231 -10.584 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.305 -10.330 -6.420 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.048 -7.998 -6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.192 -8.835 -5.669 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.277 -8.544 -8.788 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.780 -9.718 -9.578 1.00 0.00 H new ATOM 524 N GLN A 38 -3.240 -10.559 -3.823 1.00 0.00 N ATOM 525 CA GLN A 38 -4.522 -11.241 -3.697 1.00 0.00 C ATOM 526 C GLN A 38 -5.675 -10.242 -3.717 1.00 0.00 C ATOM 527 O GLN A 38 -6.677 -10.449 -4.402 1.00 0.00 O ATOM 528 CB GLN A 38 -4.564 -12.060 -2.405 1.00 0.00 C ATOM 529 CG GLN A 38 -4.626 -11.209 -1.147 1.00 0.00 C ATOM 530 CD GLN A 38 -4.351 -12.007 0.112 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.162 -12.025 1.039 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.203 -12.673 0.152 1.00 0.00 N ATOM 0 H GLN A 38 -2.535 -10.858 -3.149 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.632 -11.913 -4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.432 -12.719 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.681 -12.697 -2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.901 -10.399 -1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.611 -10.749 -1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.561 -12.630 -0.639 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.964 -13.228 0.974 1.00 0.00 H new ATOM 541 N PHE A 39 -5.525 -9.159 -2.962 1.00 0.00 N ATOM 542 CA PHE A 39 -6.554 -8.128 -2.892 1.00 0.00 C ATOM 543 C PHE A 39 -6.727 -7.439 -4.242 1.00 0.00 C ATOM 544 O PHE A 39 -7.847 -7.194 -4.688 1.00 0.00 O ATOM 545 CB PHE A 39 -6.199 -7.095 -1.821 1.00 0.00 C ATOM 546 CG PHE A 39 -6.046 -7.683 -0.448 1.00 0.00 C ATOM 547 CD1 PHE A 39 -7.140 -7.803 0.395 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.809 -8.116 0.001 1.00 0.00 C ATOM 549 CE1 PHE A 39 -7.003 -8.345 1.659 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.666 -8.658 1.265 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.764 -8.772 2.095 1.00 0.00 C ATOM 0 H PHE A 39 -4.701 -8.972 -2.390 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.496 -8.608 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.270 -6.599 -2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.974 -6.329 -1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.111 -7.469 0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.947 -8.029 -0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.864 -8.435 2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.696 -8.992 1.603 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.654 -9.194 3.083 1.00 0.00 H new ATOM 561 N GLY A 40 -5.607 -7.129 -4.889 1.00 0.00 N ATOM 562 CA GLY A 40 -5.655 -6.470 -6.181 1.00 0.00 C ATOM 563 C GLY A 40 -4.288 -6.365 -6.829 1.00 0.00 C ATOM 564 O GLY A 40 -3.279 -6.737 -6.230 1.00 0.00 O ATOM 0 H GLY A 40 -4.668 -7.323 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.326 -7.020 -6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.074 -5.471 -6.061 1.00 0.00 H new ATOM 568 N ASP A 41 -4.255 -5.858 -8.057 1.00 0.00 N ATOM 569 CA ASP A 41 -3.002 -5.705 -8.787 1.00 0.00 C ATOM 570 C ASP A 41 -2.085 -4.705 -8.090 1.00 0.00 C ATOM 571 O ASP A 41 -2.510 -3.609 -7.722 1.00 0.00 O ATOM 572 CB ASP A 41 -3.276 -5.252 -10.222 1.00 0.00 C ATOM 573 CG ASP A 41 -4.162 -6.223 -10.977 1.00 0.00 C ATOM 574 OD1 ASP A 41 -4.049 -7.442 -10.733 1.00 0.00 O ATOM 575 OD2 ASP A 41 -4.968 -5.764 -11.814 1.00 0.00 O ATOM 0 H ASP A 41 -5.081 -5.546 -8.567 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.502 -6.673 -8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.749 -4.270 -10.206 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.330 -5.141 -10.752 1.00 0.00 H new ATOM 580 N LEU A 42 -0.827 -5.090 -7.911 1.00 0.00 N ATOM 581 CA LEU A 42 0.151 -4.227 -7.257 1.00 0.00 C ATOM 582 C LEU A 42 0.971 -3.455 -8.286 1.00 0.00 C ATOM 583 O LEU A 42 1.562 -4.043 -9.192 1.00 0.00 O ATOM 584 CB LEU A 42 1.079 -5.057 -6.367 1.00 0.00 C ATOM 585 CG LEU A 42 0.558 -5.373 -4.965 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.288 -6.573 -4.382 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.707 -4.162 -4.055 1.00 0.00 C ATOM 0 H LEU A 42 -0.460 -5.994 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.390 -3.510 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.291 -5.998 -6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.026 -4.527 -6.270 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.501 -5.619 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.904 -6.783 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.130 -7.441 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.355 -6.356 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.331 -4.405 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.759 -3.885 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.138 -3.327 -4.464 1.00 0.00 H new ATOM 599 N LYS A 43 1.004 -2.135 -8.139 1.00 0.00 N ATOM 600 CA LYS A 43 1.754 -1.281 -9.052 1.00 0.00 C ATOM 601 C LYS A 43 3.256 -1.483 -8.876 1.00 0.00 C ATOM 602 O LYS A 43 3.984 -1.683 -9.849 1.00 0.00 O ATOM 603 CB LYS A 43 1.396 0.188 -8.820 1.00 0.00 C ATOM 604 CG LYS A 43 2.221 1.154 -9.653 1.00 0.00 C ATOM 605 CD LYS A 43 1.580 1.412 -11.006 1.00 0.00 C ATOM 606 CE LYS A 43 2.105 2.693 -11.636 1.00 0.00 C ATOM 607 NZ LYS A 43 3.511 2.545 -12.104 1.00 0.00 N ATOM 0 H LYS A 43 0.519 -1.633 -7.395 1.00 0.00 H new ATOM 0 HA LYS A 43 1.485 -1.557 -10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.340 0.336 -9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.532 0.424 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.331 2.096 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.223 0.749 -9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.778 0.571 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.498 1.479 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.470 2.971 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.047 3.505 -10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.832 3.439 -12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.122 2.305 -11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.562 1.788 -12.815 1.00 0.00 H new ATOM 621 N TYR A 44 3.713 -1.431 -7.630 1.00 0.00 N ATOM 622 CA TYR A 44 5.129 -1.607 -7.327 1.00 0.00 C ATOM 623 C TYR A 44 5.328 -2.010 -5.869 1.00 0.00 C ATOM 624 O TYR A 44 4.696 -1.458 -4.968 1.00 0.00 O ATOM 625 CB TYR A 44 5.899 -0.318 -7.621 1.00 0.00 C ATOM 626 CG TYR A 44 6.015 0.603 -6.428 1.00 0.00 C ATOM 627 CD1 TYR A 44 7.005 0.412 -5.472 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.135 1.664 -6.257 1.00 0.00 C ATOM 629 CE1 TYR A 44 7.115 1.251 -4.380 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.238 2.509 -5.169 1.00 0.00 C ATOM 631 CZ TYR A 44 6.229 2.299 -4.233 1.00 0.00 C ATOM 632 OH TYR A 44 6.334 3.137 -3.147 1.00 0.00 O ATOM 0 H TYR A 44 3.124 -1.268 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 44 5.514 -2.405 -7.962 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.899 -0.574 -7.971 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.404 0.214 -8.433 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.701 -0.407 -5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.357 1.831 -6.987 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.890 1.088 -3.646 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.546 3.330 -5.052 1.00 0.00 H new ATOM 0 HH TYR A 44 5.636 3.823 -3.194 1.00 0.00 H new ATOM 642 N VAL A 45 6.211 -2.978 -5.645 1.00 0.00 N ATOM 643 CA VAL A 45 6.496 -3.455 -4.297 1.00 0.00 C ATOM 644 C VAL A 45 7.984 -3.352 -3.981 1.00 0.00 C ATOM 645 O VAL A 45 8.804 -4.063 -4.563 1.00 0.00 O ATOM 646 CB VAL A 45 6.043 -4.916 -4.112 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.390 -5.742 -5.341 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.672 -5.513 -2.862 1.00 0.00 C ATOM 0 H VAL A 45 6.741 -3.447 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 45 5.937 -2.819 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 45 4.960 -4.931 -3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.063 -6.771 -5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.888 -5.324 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.468 -5.724 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.342 -6.545 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.758 -5.488 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.368 -4.935 -1.990 1.00 0.00 H new ATOM 658 N ARG A 46 8.326 -2.462 -3.055 1.00 0.00 N ATOM 659 CA ARG A 46 9.716 -2.265 -2.662 1.00 0.00 C ATOM 660 C ARG A 46 9.875 -2.386 -1.149 1.00 0.00 C ATOM 661 O ARG A 46 9.081 -1.838 -0.385 1.00 0.00 O ATOM 662 CB ARG A 46 10.212 -0.896 -3.129 1.00 0.00 C ATOM 663 CG ARG A 46 11.700 -0.858 -3.435 1.00 0.00 C ATOM 664 CD ARG A 46 11.980 -1.206 -4.889 1.00 0.00 C ATOM 665 NE ARG A 46 11.883 -0.037 -5.759 1.00 0.00 N ATOM 666 CZ ARG A 46 12.408 0.018 -6.978 1.00 0.00 C ATOM 667 NH1 ARG A 46 13.063 -1.025 -7.468 1.00 0.00 N ATOM 668 NH2 ARG A 46 12.277 1.117 -7.709 1.00 0.00 N ATOM 0 H ARG A 46 7.660 -1.866 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 46 10.315 -3.042 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.659 -0.604 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.989 -0.157 -2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.092 0.135 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.224 -1.559 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.977 -1.639 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.273 -1.966 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 46 11.385 0.782 -5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.165 -1.872 -6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.465 -0.981 -8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.773 1.921 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.681 1.158 -8.645 1.00 0.00 H new ATOM 682 N VAL A 47 10.907 -3.108 -0.723 1.00 0.00 N ATOM 683 CA VAL A 47 11.171 -3.300 0.698 1.00 0.00 C ATOM 684 C VAL A 47 12.448 -2.582 1.122 1.00 0.00 C ATOM 685 O VAL A 47 13.544 -2.929 0.681 1.00 0.00 O ATOM 686 CB VAL A 47 11.295 -4.795 1.048 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.227 -5.497 0.072 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.780 -4.968 2.480 1.00 0.00 C ATOM 0 H VAL A 47 11.574 -3.569 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 47 10.324 -2.877 1.238 1.00 0.00 H new ATOM 0 HB VAL A 47 10.309 -5.253 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.302 -6.552 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.832 -5.403 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.215 -5.040 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.862 -6.030 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.756 -4.496 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.070 -4.502 3.163 1.00 0.00 H new ATOM 698 N VAL A 48 12.299 -1.580 1.982 1.00 0.00 N ATOM 699 CA VAL A 48 13.440 -0.814 2.468 1.00 0.00 C ATOM 700 C VAL A 48 14.446 -1.715 3.175 1.00 0.00 C ATOM 701 O VAL A 48 14.070 -2.663 3.865 1.00 0.00 O ATOM 702 CB VAL A 48 12.997 0.301 3.435 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.239 -0.287 4.616 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.199 1.103 3.909 1.00 0.00 C ATOM 0 H VAL A 48 11.399 -1.280 2.357 1.00 0.00 H new ATOM 0 HA VAL A 48 13.912 -0.362 1.596 1.00 0.00 H new ATOM 0 HB VAL A 48 12.326 0.975 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.934 0.515 5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.356 -0.814 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.884 -0.984 5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 48 13.868 1.886 4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.896 0.443 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 48 14.696 1.556 3.051 1.00 0.00 H new ATOM 857 N GLY A 58 12.479 -4.415 9.004 1.00 0.00 N ATOM 858 CA GLY A 58 11.130 -4.860 9.303 1.00 0.00 C ATOM 859 C GLY A 58 10.076 -3.890 8.807 1.00 0.00 C ATOM 860 O GLY A 58 9.137 -3.559 9.533 1.00 0.00 O ATOM 0 HA2 GLY A 58 10.964 -5.836 8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.023 -4.988 10.380 1.00 0.00 H new ATOM 864 N CYS A 59 10.231 -3.432 7.570 1.00 0.00 N ATOM 865 CA CYS A 59 9.286 -2.491 6.979 1.00 0.00 C ATOM 866 C CYS A 59 9.415 -2.472 5.460 1.00 0.00 C ATOM 867 O CYS A 59 10.513 -2.603 4.919 1.00 0.00 O ATOM 868 CB CYS A 59 9.514 -1.086 7.540 1.00 0.00 C ATOM 869 SG CYS A 59 11.256 -0.649 7.748 1.00 0.00 S ATOM 0 H CYS A 59 11.002 -3.697 6.957 1.00 0.00 H new ATOM 0 HA CYS A 59 8.278 -2.818 7.236 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.045 -0.360 6.875 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.012 -1.005 8.504 1.00 0.00 H new ATOM 0 HG CYS A 59 11.347 0.557 8.225 1.00 0.00 H new ATOM 875 N ALA A 60 8.287 -2.309 4.777 1.00 0.00 N ATOM 876 CA ALA A 60 8.274 -2.273 3.320 1.00 0.00 C ATOM 877 C ALA A 60 7.147 -1.386 2.803 1.00 0.00 C ATOM 878 O ALA A 60 6.154 -1.159 3.495 1.00 0.00 O ATOM 879 CB ALA A 60 8.140 -3.681 2.758 1.00 0.00 C ATOM 0 H ALA A 60 7.370 -2.200 5.210 1.00 0.00 H new ATOM 0 HA ALA A 60 9.220 -1.848 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.132 -3.639 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.982 -4.287 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.210 -4.127 3.111 1.00 0.00 H new ATOM 885 N PHE A 61 7.307 -0.885 1.582 1.00 0.00 N ATOM 886 CA PHE A 61 6.304 -0.020 0.973 1.00 0.00 C ATOM 887 C PHE A 61 5.823 -0.597 -0.356 1.00 0.00 C ATOM 888 O PHE A 61 6.625 -1.030 -1.182 1.00 0.00 O ATOM 889 CB PHE A 61 6.873 1.384 0.756 1.00 0.00 C ATOM 890 CG PHE A 61 7.374 2.029 2.017 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.606 1.681 2.546 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.612 2.983 2.673 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.069 2.272 3.706 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.070 3.578 3.833 1.00 0.00 C ATOM 895 CZ PHE A 61 8.301 3.223 4.350 1.00 0.00 C ATOM 0 H PHE A 61 8.122 -1.064 0.995 1.00 0.00 H new ATOM 0 HA PHE A 61 5.454 0.042 1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.690 1.329 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.102 2.016 0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.211 0.939 2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.649 3.265 2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.031 1.991 4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.466 4.320 4.335 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.662 3.688 5.255 1.00 0.00 H new ATOM 905 N ALA A 62 4.509 -0.599 -0.552 1.00 0.00 N ATOM 906 CA ALA A 62 3.920 -1.120 -1.779 1.00 0.00 C ATOM 907 C ALA A 62 2.856 -0.174 -2.323 1.00 0.00 C ATOM 908 O ALA A 62 2.475 0.792 -1.662 1.00 0.00 O ATOM 909 CB ALA A 62 3.328 -2.500 -1.536 1.00 0.00 C ATOM 0 H ALA A 62 3.832 -0.245 0.124 1.00 0.00 H new ATOM 0 HA ALA A 62 4.710 -1.202 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.892 -2.877 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.113 -3.179 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.555 -2.435 -0.770 1.00 0.00 H new ATOM 915 N GLN A 63 2.380 -0.457 -3.531 1.00 0.00 N ATOM 916 CA GLN A 63 1.359 0.371 -4.164 1.00 0.00 C ATOM 917 C GLN A 63 0.354 -0.489 -4.922 1.00 0.00 C ATOM 918 O GLN A 63 0.721 -1.479 -5.555 1.00 0.00 O ATOM 919 CB GLN A 63 2.008 1.378 -5.116 1.00 0.00 C ATOM 920 CG GLN A 63 1.069 2.489 -5.556 1.00 0.00 C ATOM 921 CD GLN A 63 1.375 2.991 -6.954 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.528 2.934 -7.846 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.591 3.488 -7.151 1.00 0.00 N ATOM 0 H GLN A 63 2.685 -1.253 -4.091 1.00 0.00 H new ATOM 0 HA GLN A 63 0.828 0.912 -3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.877 1.820 -4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.372 0.850 -5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.042 2.127 -5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.139 3.319 -4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.261 3.516 -6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.854 3.842 -8.071 1.00 0.00 H new ATOM 932 N PHE A 64 -0.917 -0.105 -4.853 1.00 0.00 N ATOM 933 CA PHE A 64 -1.976 -0.842 -5.533 1.00 0.00 C ATOM 934 C PHE A 64 -2.389 -0.136 -6.821 1.00 0.00 C ATOM 935 O PHE A 64 -1.976 0.993 -7.083 1.00 0.00 O ATOM 936 CB PHE A 64 -3.189 -0.997 -4.612 1.00 0.00 C ATOM 937 CG PHE A 64 -3.137 -2.231 -3.757 1.00 0.00 C ATOM 938 CD1 PHE A 64 -2.482 -2.217 -2.536 1.00 0.00 C ATOM 939 CD2 PHE A 64 -3.745 -3.405 -4.173 1.00 0.00 C ATOM 940 CE1 PHE A 64 -2.433 -3.351 -1.748 1.00 0.00 C ATOM 941 CE2 PHE A 64 -3.700 -4.542 -3.389 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.043 -4.514 -2.174 1.00 0.00 C ATOM 0 H PHE A 64 -1.238 0.712 -4.333 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.592 -1.830 -5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.261 -0.121 -3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.095 -1.022 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.005 -1.310 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.260 -3.431 -5.122 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.918 -3.328 -0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.177 -5.451 -3.725 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.007 -5.401 -1.558 1.00 0.00 H new ATOM 952 N MET A 65 -3.206 -0.812 -7.623 1.00 0.00 N ATOM 953 CA MET A 65 -3.675 -0.250 -8.884 1.00 0.00 C ATOM 954 C MET A 65 -5.008 0.468 -8.697 1.00 0.00 C ATOM 955 O MET A 65 -5.417 1.269 -9.538 1.00 0.00 O ATOM 956 CB MET A 65 -3.820 -1.353 -9.935 1.00 0.00 C ATOM 957 CG MET A 65 -2.492 -1.843 -10.489 1.00 0.00 C ATOM 958 SD MET A 65 -2.621 -2.423 -12.191 1.00 0.00 S ATOM 959 CE MET A 65 -1.514 -1.285 -13.021 1.00 0.00 C ATOM 0 H MET A 65 -3.556 -1.749 -7.422 1.00 0.00 H new ATOM 0 HA MET A 65 -2.937 0.475 -9.227 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.354 -2.195 -9.495 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.433 -0.982 -10.757 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.762 -1.035 -10.439 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.117 -2.651 -9.861 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.486 -1.516 -14.086 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.869 -0.264 -12.880 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.512 -1.382 -12.602 1.00 0.00 H new ATOM 969 N THR A 66 -5.681 0.177 -7.588 1.00 0.00 N ATOM 970 CA THR A 66 -6.968 0.795 -7.291 1.00 0.00 C ATOM 971 C THR A 66 -7.082 1.144 -5.812 1.00 0.00 C ATOM 972 O THR A 66 -6.655 0.378 -4.950 1.00 0.00 O ATOM 973 CB THR A 66 -8.137 -0.129 -7.680 1.00 0.00 C ATOM 974 OG1 THR A 66 -7.872 -1.466 -7.241 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.358 -0.119 -9.185 1.00 0.00 C ATOM 0 H THR A 66 -5.356 -0.483 -6.881 1.00 0.00 H new ATOM 0 HA THR A 66 -7.024 1.709 -7.882 1.00 0.00 H new ATOM 0 HB THR A 66 -9.040 0.241 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.621 -2.047 -7.491 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.189 -0.779 -9.435 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.589 0.895 -9.512 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.455 -0.466 -9.688 1.00 0.00 H new ATOM 983 N GLN A 67 -7.661 2.306 -5.526 1.00 0.00 N ATOM 984 CA GLN A 67 -7.830 2.757 -4.150 1.00 0.00 C ATOM 985 C GLN A 67 -8.502 1.680 -3.304 1.00 0.00 C ATOM 986 O GLN A 67 -8.044 1.365 -2.206 1.00 0.00 O ATOM 987 CB GLN A 67 -8.656 4.044 -4.110 1.00 0.00 C ATOM 988 CG GLN A 67 -7.844 5.297 -4.391 1.00 0.00 C ATOM 989 CD GLN A 67 -8.714 6.506 -4.673 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.515 6.918 -3.834 1.00 0.00 O ATOM 991 NE2 GLN A 67 -8.561 7.081 -5.860 1.00 0.00 N ATOM 0 H GLN A 67 -8.021 2.952 -6.229 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.842 2.956 -3.735 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.461 3.972 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.123 4.136 -3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.202 5.508 -3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.190 5.118 -5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.885 6.706 -6.525 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.120 7.898 -6.107 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.592 1.122 -3.822 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.327 0.081 -3.113 1.00 0.00 C ATOM 1002 C GLU A 68 -9.398 -1.056 -2.700 1.00 0.00 C ATOM 1003 O GLU A 68 -9.556 -1.644 -1.630 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.458 -0.462 -3.988 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.656 -0.959 -3.196 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.807 -1.386 -4.085 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.547 -1.801 -5.234 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -14.968 -1.305 -3.633 1.00 0.00 O ATOM 0 H GLU A 68 -9.985 1.373 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.754 0.523 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.785 0.321 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.073 -1.278 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.351 -1.800 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.994 -0.171 -2.523 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.429 -1.362 -3.557 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.474 -2.428 -3.281 1.00 0.00 C ATOM 1017 C ALA A 69 -6.749 -2.188 -1.961 1.00 0.00 C ATOM 1018 O ALA A 69 -6.889 -2.963 -1.015 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.473 -2.548 -4.421 1.00 0.00 C ATOM 0 H ALA A 69 -8.285 -0.887 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.026 -3.364 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.766 -3.348 -4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.002 -2.775 -5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.934 -1.607 -4.532 1.00 0.00 H new ATOM 1025 N ALA A 70 -5.974 -1.110 -1.905 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.228 -0.767 -0.700 1.00 0.00 C ATOM 1027 C ALA A 70 -6.112 -0.863 0.539 1.00 0.00 C ATOM 1028 O ALA A 70 -5.702 -1.407 1.564 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.640 0.631 -0.823 1.00 0.00 C ATOM 0 H ALA A 70 -5.846 -0.459 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.414 -1.484 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.086 0.874 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.968 0.669 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.445 1.353 -0.961 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.326 -0.332 0.437 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.267 -0.358 1.551 1.00 0.00 C ATOM 1037 C GLN A 71 -8.621 -1.791 1.931 1.00 0.00 C ATOM 1038 O GLN A 71 -8.765 -2.115 3.110 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.537 0.416 1.191 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.273 1.844 0.742 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.101 2.476 1.467 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -6.891 2.181 1.006 1.00 0.00 O flip ATOM 1043 NE2 GLN A 71 -8.280 3.222 2.430 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.681 0.121 -0.405 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.790 0.118 2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.063 -0.114 0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.200 0.433 2.056 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.080 1.854 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.167 2.445 0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.227 3.422 2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.481 3.640 2.907 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.760 -2.648 0.925 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.097 -4.048 1.153 1.00 0.00 C ATOM 1054 C LYS A 72 -7.990 -4.755 1.929 1.00 0.00 C ATOM 1055 O LYS A 72 -8.246 -5.708 2.666 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.334 -4.761 -0.181 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.684 -4.450 -0.805 1.00 0.00 C ATOM 1058 CD LYS A 72 -10.892 -5.223 -2.096 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.305 -5.044 -2.631 1.00 0.00 C ATOM 1060 NZ LYS A 72 -13.314 -5.722 -1.771 1.00 0.00 N ATOM 0 H LYS A 72 -8.644 -2.397 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.012 -4.084 1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.546 -4.478 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.253 -5.837 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.478 -4.697 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.756 -3.381 -1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.173 -4.886 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.699 -6.282 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.537 -3.981 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.363 -5.444 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.223 -5.768 -2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.991 -6.686 -1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.434 -5.186 -0.888 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.760 -4.281 1.760 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.614 -4.867 2.445 1.00 0.00 C ATOM 1076 C CYS A 73 -5.622 -4.504 3.926 1.00 0.00 C ATOM 1077 O CYS A 73 -5.301 -5.330 4.781 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.311 -4.396 1.798 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.825 -4.823 2.736 1.00 0.00 S ATOM 0 H CYS A 73 -6.531 -3.493 1.154 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.684 -5.951 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.235 -4.830 0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.350 -3.314 1.673 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.747 -6.115 2.861 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.989 -3.262 4.223 1.00 0.00 N ATOM 1086 CA LEU A 74 -6.037 -2.788 5.602 1.00 0.00 C ATOM 1087 C LEU A 74 -7.017 -3.615 6.428 1.00 0.00 C ATOM 1088 O LEU A 74 -6.616 -4.359 7.323 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.439 -1.312 5.640 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.711 -0.393 4.659 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.271 1.019 4.734 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.215 -0.391 4.940 1.00 0.00 C ATOM 0 H LEU A 74 -6.258 -2.565 3.528 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.042 -2.899 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.509 -1.242 5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.273 -0.937 6.650 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.871 -0.772 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.740 1.659 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.332 1.004 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.143 1.408 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.713 0.268 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.036 -0.037 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.824 -1.403 4.834 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.303 -3.480 6.121 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.339 -4.218 6.832 1.00 0.00 C ATOM 1106 C ALA A 75 -8.922 -5.667 7.063 1.00 0.00 C ATOM 1107 O ALA A 75 -9.409 -6.324 7.982 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.651 -4.161 6.063 1.00 0.00 C ATOM 0 H ALA A 75 -8.652 -2.866 5.385 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.480 -3.748 7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.416 -4.717 6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.965 -3.123 5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.514 -4.603 5.076 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.018 -6.158 6.222 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.534 -7.528 6.336 1.00 0.00 C ATOM 1116 C ALA A 76 -6.316 -7.607 7.249 1.00 0.00 C ATOM 1117 O ALA A 76 -6.147 -8.572 7.993 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.202 -8.087 4.960 1.00 0.00 C ATOM 0 H ALA A 76 -7.606 -5.627 5.454 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.327 -8.131 6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.842 -9.111 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.097 -8.077 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.429 -7.474 4.495 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.469 -6.585 7.186 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.266 -6.538 8.009 1.00 0.00 C ATOM 1126 C ALA A 77 -4.602 -6.184 9.453 1.00 0.00 C ATOM 1127 O ALA A 77 -3.762 -6.307 10.344 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.273 -5.537 7.436 1.00 0.00 C ATOM 0 H ALA A 77 -5.593 -5.779 6.574 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.812 -7.529 8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.380 -5.512 8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.000 -5.834 6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.727 -4.546 7.413 1.00 0.00 H new ATOM 1134 N SER A 78 -5.836 -5.743 9.678 1.00 0.00 N ATOM 1135 CA SER A 78 -6.282 -5.367 11.014 1.00 0.00 C ATOM 1136 C SER A 78 -6.892 -6.563 11.740 1.00 0.00 C ATOM 1137 O SER A 78 -8.069 -6.877 11.563 1.00 0.00 O ATOM 1138 CB SER A 78 -7.303 -4.231 10.933 1.00 0.00 C ATOM 1139 OG SER A 78 -7.320 -3.473 12.131 1.00 0.00 O ATOM 0 H SER A 78 -6.544 -5.637 8.952 1.00 0.00 H new ATOM 0 HA SER A 78 -5.413 -5.026 11.577 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.063 -3.581 10.091 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.295 -4.642 10.745 1.00 0.00 H new ATOM 0 HG SER A 78 -7.979 -2.752 12.053 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.066 -10.190 9.370 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.198 -10.954 8.479 1.00 0.00 C ATOM 1227 C LEU A 86 -0.916 -11.369 9.193 1.00 0.00 C ATOM 1228 O LEU A 86 -0.491 -10.726 10.153 1.00 0.00 O ATOM 1229 CB LEU A 86 -1.860 -10.131 7.235 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.811 -10.288 6.048 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.190 -9.747 6.393 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.251 -9.584 4.820 1.00 0.00 C ATOM 0 HA LEU A 86 -2.731 -11.855 8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.833 -9.078 7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.855 -10.399 6.908 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.907 -11.350 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.853 -9.867 5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.594 -10.296 7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.113 -8.690 6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.941 -9.706 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.125 -8.523 5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.286 -10.019 4.560 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.302 -12.446 8.716 1.00 0.00 N ATOM 1245 CA LYS A 87 0.935 -12.946 9.305 1.00 0.00 C ATOM 1246 C LYS A 87 1.849 -13.535 8.234 1.00 0.00 C ATOM 1247 O LYS A 87 1.387 -14.201 7.307 1.00 0.00 O ATOM 1248 CB LYS A 87 0.627 -14.005 10.366 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.132 -13.463 11.564 1.00 0.00 C ATOM 1250 CD LYS A 87 0.178 -14.253 12.825 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.899 -14.060 13.882 1.00 0.00 C ATOM 1252 NZ LYS A 87 -0.512 -14.669 15.185 1.00 0.00 N ATOM 0 H LYS A 87 -0.641 -12.990 7.923 1.00 0.00 H new ATOM 0 HA LYS A 87 1.449 -12.108 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.045 -14.806 9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.563 -14.447 10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.128 -12.415 11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.203 -13.500 11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.264 -15.312 12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.142 -13.939 13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.086 -12.995 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.832 -14.505 13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.272 -14.516 15.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.358 -15.690 15.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.364 -14.227 15.528 1.00 0.00 H new ATOM 1266 N LEU A 88 3.146 -13.285 8.369 1.00 0.00 N ATOM 1267 CA LEU A 88 4.126 -13.792 7.413 1.00 0.00 C ATOM 1268 C LEU A 88 5.361 -14.326 8.131 1.00 0.00 C ATOM 1269 O LEU A 88 6.151 -13.559 8.682 1.00 0.00 O ATOM 1270 CB LEU A 88 4.528 -12.689 6.433 1.00 0.00 C ATOM 1271 CG LEU A 88 5.183 -13.155 5.132 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.130 -13.400 4.062 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.204 -12.132 4.653 1.00 0.00 C ATOM 0 H LEU A 88 3.544 -12.735 9.130 1.00 0.00 H new ATOM 0 HA LEU A 88 3.668 -14.612 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.638 -12.111 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.215 -12.012 6.941 1.00 0.00 H new ATOM 0 HG LEU A 88 5.701 -14.094 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.615 -13.731 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.436 -14.168 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.583 -12.476 3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.660 -12.480 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.708 -11.178 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.976 -12.005 5.412 1.00 0.00 H new ATOM 1285 N ASP A 89 5.522 -15.644 8.119 1.00 0.00 N ATOM 1286 CA ASP A 89 6.663 -16.281 8.766 1.00 0.00 C ATOM 1287 C ASP A 89 6.563 -16.164 10.284 1.00 0.00 C ATOM 1288 O ASP A 89 7.555 -15.908 10.964 1.00 0.00 O ATOM 1289 CB ASP A 89 7.970 -15.652 8.279 1.00 0.00 C ATOM 1290 CG ASP A 89 9.181 -16.502 8.611 1.00 0.00 C ATOM 1291 OD1 ASP A 89 9.266 -17.639 8.101 1.00 0.00 O ATOM 1292 OD2 ASP A 89 10.044 -16.029 9.379 1.00 0.00 O ATOM 0 H ASP A 89 4.877 -16.293 7.668 1.00 0.00 H new ATOM 0 HA ASP A 89 6.656 -17.338 8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.919 -15.504 7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.086 -14.667 8.731 1.00 0.00 H new ATOM 1297 N GLY A 90 5.355 -16.352 10.808 1.00 0.00 N ATOM 1298 CA GLY A 90 5.147 -16.262 12.242 1.00 0.00 C ATOM 1299 C GLY A 90 5.303 -14.847 12.762 1.00 0.00 C ATOM 1300 O GLY A 90 5.714 -14.640 13.904 1.00 0.00 O ATOM 0 H GLY A 90 4.518 -16.565 10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.149 -16.627 12.485 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.858 -16.913 12.751 1.00 0.00 H new ATOM 1304 N ARG A 91 4.975 -13.870 11.923 1.00 0.00 N ATOM 1305 CA ARG A 91 5.083 -12.467 12.305 1.00 0.00 C ATOM 1306 C ARG A 91 3.926 -11.656 11.729 1.00 0.00 C ATOM 1307 O ARG A 91 3.721 -11.626 10.516 1.00 0.00 O ATOM 1308 CB ARG A 91 6.415 -11.887 11.824 1.00 0.00 C ATOM 1309 CG ARG A 91 7.625 -12.465 12.540 1.00 0.00 C ATOM 1310 CD ARG A 91 8.759 -11.456 12.622 1.00 0.00 C ATOM 1311 NE ARG A 91 9.727 -11.803 13.658 1.00 0.00 N ATOM 1312 CZ ARG A 91 10.874 -11.157 13.839 1.00 0.00 C ATOM 1313 NH1 ARG A 91 11.193 -10.136 13.056 1.00 0.00 N ATOM 1314 NH2 ARG A 91 11.703 -11.532 14.804 1.00 0.00 N ATOM 0 H ARG A 91 4.632 -14.024 10.975 1.00 0.00 H new ATOM 0 HA ARG A 91 5.040 -12.408 13.393 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.515 -12.069 10.754 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.403 -10.806 11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.340 -12.776 13.545 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.968 -13.357 12.016 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.264 -11.400 11.658 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.350 -10.466 12.825 1.00 0.00 H new ATOM 0 HE ARG A 91 9.511 -12.584 14.277 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.558 -9.845 12.313 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.074 -9.641 13.196 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.460 -12.317 15.408 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.583 -11.035 14.942 1.00 0.00 H new ATOM 1328 N GLN A 92 3.174 -11.002 12.608 1.00 0.00 N ATOM 1329 CA GLN A 92 2.037 -10.192 12.186 1.00 0.00 C ATOM 1330 C GLN A 92 2.482 -9.075 11.248 1.00 0.00 C ATOM 1331 O GLN A 92 3.601 -8.571 11.353 1.00 0.00 O ATOM 1332 CB GLN A 92 1.326 -9.599 13.404 1.00 0.00 C ATOM 1333 CG GLN A 92 0.217 -10.482 13.952 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.858 -9.691 14.670 1.00 0.00 C ATOM 1335 OE1 GLN A 92 -0.925 -9.686 15.899 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.708 -9.017 13.904 1.00 0.00 N ATOM 0 H GLN A 92 3.331 -11.017 13.616 1.00 0.00 H new ATOM 0 HA GLN A 92 1.343 -10.838 11.648 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.059 -9.421 14.191 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.907 -8.630 13.133 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.235 -11.041 13.133 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.645 -11.212 14.639 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.615 -9.049 12.889 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.453 -8.467 14.331 1.00 0.00 H new ATOM 1345 N LEU A 93 1.600 -8.692 10.332 1.00 0.00 N ATOM 1346 CA LEU A 93 1.902 -7.633 9.374 1.00 0.00 C ATOM 1347 C LEU A 93 0.944 -6.458 9.541 1.00 0.00 C ATOM 1348 O LEU A 93 -0.274 -6.635 9.574 1.00 0.00 O ATOM 1349 CB LEU A 93 1.820 -8.173 7.945 1.00 0.00 C ATOM 1350 CG LEU A 93 2.520 -9.509 7.691 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.201 -10.021 6.295 1.00 0.00 C ATOM 1352 CD2 LEU A 93 4.024 -9.367 7.879 1.00 0.00 C ATOM 0 H LEU A 93 0.670 -9.098 10.232 1.00 0.00 H new ATOM 0 HA LEU A 93 2.916 -7.281 9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.769 -8.280 7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.246 -7.429 7.272 1.00 0.00 H new ATOM 0 HG LEU A 93 2.151 -10.235 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.707 -10.972 6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.125 -10.161 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.542 -9.297 5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.506 -10.327 7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.410 -8.626 7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.234 -9.046 8.899 1.00 0.00 H new ATOM 1364 N LYS A 94 1.502 -5.257 9.644 1.00 0.00 N ATOM 1365 CA LYS A 94 0.699 -4.050 9.804 1.00 0.00 C ATOM 1366 C LYS A 94 0.696 -3.225 8.522 1.00 0.00 C ATOM 1367 O LYS A 94 1.678 -2.556 8.200 1.00 0.00 O ATOM 1368 CB LYS A 94 1.233 -3.208 10.965 1.00 0.00 C ATOM 1369 CG LYS A 94 0.600 -3.546 12.304 1.00 0.00 C ATOM 1370 CD LYS A 94 0.530 -2.329 13.211 1.00 0.00 C ATOM 1371 CE LYS A 94 -0.756 -1.547 12.995 1.00 0.00 C ATOM 1372 NZ LYS A 94 -1.944 -2.274 13.523 1.00 0.00 N ATOM 0 H LYS A 94 2.508 -5.093 9.620 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.325 -4.351 10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.312 -3.347 11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.061 -2.154 10.747 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.404 -3.940 12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.177 -4.332 12.792 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.594 -2.646 14.252 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.387 -1.682 13.021 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.677 -0.576 13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.891 -1.357 11.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.724 -1.603 13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.238 -3.001 12.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.700 -2.727 14.427 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.416 -3.274 7.794 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.547 -2.529 6.548 1.00 0.00 C ATOM 1388 C VAL A 95 -1.344 -1.245 6.757 1.00 0.00 C ATOM 1389 O VAL A 95 -2.483 -1.279 7.221 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.233 -3.374 5.458 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.354 -2.581 4.165 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.469 -4.669 5.230 1.00 0.00 C ATOM 0 H VAL A 95 -1.239 -3.822 8.046 1.00 0.00 H new ATOM 0 HA VAL A 95 0.462 -2.278 6.221 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.238 -3.627 5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.841 -3.194 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.947 -1.684 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.361 -2.296 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.967 -5.254 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.548 -4.440 4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.440 -5.242 6.157 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.736 -0.116 6.411 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.389 1.180 6.559 1.00 0.00 C ATOM 1404 C ASP A 96 -1.137 2.058 5.337 1.00 0.00 C ATOM 1405 O ASP A 96 -0.059 2.018 4.742 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.891 1.885 7.821 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.608 3.197 8.073 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.850 3.229 7.942 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -0.927 4.191 8.402 1.00 0.00 O ATOM 0 H ASP A 96 0.208 -0.072 6.026 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.462 1.011 6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.030 1.228 8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.179 2.071 7.731 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.137 2.850 4.968 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.024 3.738 3.816 1.00 0.00 C ATOM 1416 C LEU A 97 -0.914 4.763 4.025 1.00 0.00 C ATOM 1417 O LEU A 97 -1.103 5.767 4.710 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.353 4.454 3.567 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.481 5.186 2.230 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.161 5.837 1.850 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -3.940 4.228 1.140 1.00 0.00 C ATOM 0 H LEU A 97 -3.035 2.896 5.449 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.775 3.132 2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.156 3.720 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.510 5.175 4.370 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.231 5.970 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.271 6.353 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.874 6.554 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.390 5.072 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.026 4.766 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.214 3.422 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.910 3.809 1.408 1.00 0.00 H new ATOM 1433 N ALA A 98 0.245 4.502 3.427 1.00 0.00 N ATOM 1434 CA ALA A 98 1.384 5.403 3.544 1.00 0.00 C ATOM 1435 C ALA A 98 1.289 6.543 2.536 1.00 0.00 C ATOM 1436 O ALA A 98 0.336 6.620 1.759 1.00 0.00 O ATOM 1437 CB ALA A 98 2.685 4.636 3.355 1.00 0.00 C ATOM 0 H ALA A 98 0.419 3.674 2.857 1.00 0.00 H new ATOM 0 HA ALA A 98 1.372 5.836 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.528 5.321 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.765 3.861 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.696 4.175 2.367 1.00 0.00 H new ATOM 1443 N VAL A 99 2.281 7.427 2.554 1.00 0.00 N ATOM 1444 CA VAL A 99 2.309 8.564 1.640 1.00 0.00 C ATOM 1445 C VAL A 99 3.714 9.144 1.528 1.00 0.00 C ATOM 1446 O VAL A 99 4.434 9.253 2.521 1.00 0.00 O ATOM 1447 CB VAL A 99 1.341 9.673 2.095 1.00 0.00 C ATOM 1448 CG1 VAL A 99 1.771 10.238 3.440 1.00 0.00 C ATOM 1449 CG2 VAL A 99 1.261 10.772 1.047 1.00 0.00 C ATOM 0 H VAL A 99 3.076 7.378 3.191 1.00 0.00 H new ATOM 0 HA VAL A 99 1.993 8.195 0.664 1.00 0.00 H new ATOM 0 HB VAL A 99 0.348 9.240 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.076 11.020 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.772 9.442 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.774 10.657 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.573 11.547 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.250 11.205 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.902 10.353 0.107 1.00 0.00 H new