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 Single : A 16 LYS NZ :NH3+ -167:sc= 0.807 (180deg=0.507) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.242 K(o=0.24,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -1.13 USER MOD Single : A 37 GLN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.2) 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 USER MOD Single : A 63 GLN : amide:sc= -2.2 K(o=-2.2,f=-1.1!) USER MOD Single : A 65 MET CE :methyl 159:sc= -2.86! (180deg=-5.21!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0598 USER MOD Single : A 67 GLN : amide:sc= -0.707 K(o=-0.71,f=0) USER MOD Single : A 71 GLN : amide:sc= -6.44! K(o=-6.4!,f=-1.3) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 80:sc= -6.1! 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= -0.275 K(o=-0.27,f=-0.84) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.565 7.742 -5.946 1.00 0.00 N ATOM 168 CA GLY A 15 -3.511 7.939 -4.510 1.00 0.00 C ATOM 169 C GLY A 15 -3.664 6.641 -3.741 1.00 0.00 C ATOM 170 O GLY A 15 -4.444 6.561 -2.792 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.562 8.405 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.299 8.630 -4.211 1.00 0.00 H new ATOM 174 N LYS A 16 -2.919 5.621 -4.151 1.00 0.00 N ATOM 175 CA LYS A 16 -2.975 4.320 -3.496 1.00 0.00 C ATOM 176 C LYS A 16 -1.605 3.923 -2.955 1.00 0.00 C ATOM 177 O LYS A 16 -0.647 3.769 -3.714 1.00 0.00 O ATOM 178 CB LYS A 16 -3.478 3.254 -4.473 1.00 0.00 C ATOM 179 CG LYS A 16 -4.506 3.774 -5.463 1.00 0.00 C ATOM 180 CD LYS A 16 -4.426 3.035 -6.788 1.00 0.00 C ATOM 181 CE LYS A 16 -5.229 3.742 -7.869 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.656 3.513 -9.225 1.00 0.00 N ATOM 0 H LYS A 16 -2.268 5.670 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.669 4.393 -2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.629 2.848 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.915 2.431 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.506 3.663 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.346 4.839 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.384 2.956 -7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.799 2.019 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.260 3.388 -7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.255 4.812 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.087 4.176 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.628 3.666 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.853 2.537 -9.525 1.00 0.00 H new ATOM 196 N THR A 17 -1.518 3.757 -1.639 1.00 0.00 N ATOM 197 CA THR A 17 -0.265 3.378 -0.998 1.00 0.00 C ATOM 198 C THR A 17 -0.504 2.374 0.124 1.00 0.00 C ATOM 199 O THR A 17 -1.622 2.235 0.619 1.00 0.00 O ATOM 200 CB THR A 17 0.466 4.606 -0.424 1.00 0.00 C ATOM 201 OG1 THR A 17 0.904 5.457 -1.490 1.00 0.00 O ATOM 202 CG2 THR A 17 1.661 4.181 0.415 1.00 0.00 C ATOM 0 H THR A 17 -2.301 3.879 -0.996 1.00 0.00 H new ATOM 0 HA THR A 17 0.357 2.920 -1.767 1.00 0.00 H new ATOM 0 HB THR A 17 -0.230 5.151 0.214 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.366 6.236 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.161 5.065 0.810 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.322 3.557 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.358 3.616 -0.204 1.00 0.00 H new ATOM 210 N VAL A 18 0.555 1.675 0.521 1.00 0.00 N ATOM 211 CA VAL A 18 0.461 0.684 1.586 1.00 0.00 C ATOM 212 C VAL A 18 1.824 0.424 2.217 1.00 0.00 C ATOM 213 O VAL A 18 2.778 0.055 1.531 1.00 0.00 O ATOM 214 CB VAL A 18 -0.114 -0.647 1.065 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.448 -0.418 0.372 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.875 -1.323 0.127 1.00 0.00 C ATOM 0 H VAL A 18 1.488 1.777 0.121 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.213 1.092 2.339 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.283 -1.308 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.838 -1.369 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.154 0.020 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.309 0.260 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.453 -2.262 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.078 -0.669 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.804 -1.523 0.661 1.00 0.00 H new ATOM 226 N PHE A 19 1.909 0.618 3.529 1.00 0.00 N ATOM 227 CA PHE A 19 3.157 0.405 4.254 1.00 0.00 C ATOM 228 C PHE A 19 3.017 -0.740 5.252 1.00 0.00 C ATOM 229 O PHE A 19 2.175 -0.696 6.150 1.00 0.00 O ATOM 230 CB PHE A 19 3.572 1.684 4.984 1.00 0.00 C ATOM 231 CG PHE A 19 4.831 1.534 5.788 1.00 0.00 C ATOM 232 CD1 PHE A 19 6.019 1.164 5.178 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.827 1.762 7.155 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.180 1.025 5.915 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.985 1.625 7.897 1.00 0.00 C ATOM 236 CZ PHE A 19 7.162 1.255 7.276 1.00 0.00 C ATOM 0 H PHE A 19 1.129 0.922 4.112 1.00 0.00 H new ATOM 0 HA PHE A 19 3.928 0.141 3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.710 2.481 4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.763 1.994 5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.038 0.982 4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.909 2.050 7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.099 0.737 5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.970 1.807 8.961 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.067 1.146 7.855 1.00 0.00 H new ATOM 246 N ILE A 20 3.847 -1.765 5.088 1.00 0.00 N ATOM 247 CA ILE A 20 3.817 -2.921 5.975 1.00 0.00 C ATOM 248 C ILE A 20 4.832 -2.775 7.104 1.00 0.00 C ATOM 249 O ILE A 20 5.983 -2.405 6.873 1.00 0.00 O ATOM 250 CB ILE A 20 4.104 -4.226 5.208 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.357 -4.232 3.872 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.709 -5.432 6.047 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.130 -3.584 2.745 1.00 0.00 C ATOM 0 H ILE A 20 4.548 -1.818 4.349 1.00 0.00 H new ATOM 0 HA ILE A 20 2.813 -2.969 6.396 1.00 0.00 H new ATOM 0 HB ILE A 20 5.174 -4.284 5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.126 -5.262 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.406 -3.714 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.918 -6.346 5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.281 -5.433 6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.645 -5.382 6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.540 -3.624 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.338 -2.544 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.070 -4.116 2.595 1.00 0.00 H new ATOM 265 N ARG A 21 4.397 -3.070 8.324 1.00 0.00 N ATOM 266 CA ARG A 21 5.267 -2.973 9.490 1.00 0.00 C ATOM 267 C ARG A 21 5.393 -4.323 10.189 1.00 0.00 C ATOM 268 O ARG A 21 4.487 -5.153 10.126 1.00 0.00 O ATOM 269 CB ARG A 21 4.728 -1.928 10.469 1.00 0.00 C ATOM 270 CG ARG A 21 5.252 -0.524 10.211 1.00 0.00 C ATOM 271 CD ARG A 21 4.413 0.523 10.925 1.00 0.00 C ATOM 272 NE ARG A 21 3.051 0.585 10.402 1.00 0.00 N ATOM 273 CZ ARG A 21 2.190 1.550 10.705 1.00 0.00 C ATOM 274 NH1 ARG A 21 2.547 2.529 11.524 1.00 0.00 N ATOM 275 NH2 ARG A 21 0.968 1.537 10.188 1.00 0.00 N ATOM 0 H ARG A 21 3.447 -3.378 8.531 1.00 0.00 H new ATOM 0 HA ARG A 21 6.256 -2.666 9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.640 -1.917 10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.991 -2.224 11.485 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.287 -0.453 10.546 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.250 -0.325 9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.382 0.297 11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.886 1.499 10.820 1.00 0.00 H new ATOM 0 HE ARG A 21 2.744 -0.154 9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.485 2.543 11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.883 3.269 11.755 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.689 0.785 9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.308 2.279 10.421 1.00 0.00 H new ATOM 289 N ASN A 22 6.523 -4.536 10.855 1.00 0.00 N ATOM 290 CA ASN A 22 6.768 -5.786 11.565 1.00 0.00 C ATOM 291 C ASN A 22 7.023 -6.927 10.585 1.00 0.00 C ATOM 292 O ASN A 22 6.525 -8.039 10.767 1.00 0.00 O ATOM 293 CB ASN A 22 5.579 -6.127 12.465 1.00 0.00 C ATOM 294 CG ASN A 22 5.920 -7.185 13.497 1.00 0.00 C ATOM 295 OD1 ASN A 22 7.040 -7.233 14.006 1.00 0.00 O ATOM 296 ND2 ASN A 22 4.952 -8.039 13.810 1.00 0.00 N ATOM 0 H ASN A 22 7.284 -3.859 10.918 1.00 0.00 H new ATOM 0 HA ASN A 22 7.657 -5.656 12.183 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.240 -5.224 12.973 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.750 -6.477 11.850 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.122 -8.773 14.498 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.039 -7.961 13.362 1.00 0.00 H new ATOM 303 N LEU A 23 7.801 -6.645 9.546 1.00 0.00 N ATOM 304 CA LEU A 23 8.123 -7.648 8.537 1.00 0.00 C ATOM 305 C LEU A 23 9.195 -8.608 9.045 1.00 0.00 C ATOM 306 O LEU A 23 9.941 -8.287 9.970 1.00 0.00 O ATOM 307 CB LEU A 23 8.598 -6.971 7.250 1.00 0.00 C ATOM 308 CG LEU A 23 7.510 -6.320 6.394 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.130 -5.550 5.239 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.538 -7.370 5.877 1.00 0.00 C ATOM 0 H LEU A 23 8.221 -5.730 9.380 1.00 0.00 H new ATOM 0 HA LEU A 23 7.219 -8.220 8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.330 -6.208 7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.115 -7.713 6.642 1.00 0.00 H new ATOM 0 HG LEU A 23 6.956 -5.617 7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.341 -5.094 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.785 -4.772 5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.709 -6.232 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.771 -6.889 5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.077 -8.097 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.068 -7.877 6.720 1.00 0.00 H new ATOM 322 N SER A 24 9.266 -9.785 8.433 1.00 0.00 N ATOM 323 CA SER A 24 10.245 -10.792 8.824 1.00 0.00 C ATOM 324 C SER A 24 11.461 -10.755 7.902 1.00 0.00 C ATOM 325 O SER A 24 11.335 -10.526 6.699 1.00 0.00 O ATOM 326 CB SER A 24 9.614 -12.185 8.797 1.00 0.00 C ATOM 327 OG SER A 24 10.216 -13.037 9.757 1.00 0.00 O ATOM 0 H SER A 24 8.657 -10.065 7.664 1.00 0.00 H new ATOM 0 HA SER A 24 10.573 -10.569 9.839 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.545 -12.107 8.995 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.723 -12.618 7.803 1.00 0.00 H new ATOM 0 HG SER A 24 9.794 -13.921 9.721 1.00 0.00 H new ATOM 333 N PHE A 25 12.638 -10.981 8.476 1.00 0.00 N ATOM 334 CA PHE A 25 13.877 -10.972 7.708 1.00 0.00 C ATOM 335 C PHE A 25 13.802 -11.954 6.543 1.00 0.00 C ATOM 336 O PHE A 25 14.314 -11.685 5.456 1.00 0.00 O ATOM 337 CB PHE A 25 15.063 -11.323 8.609 1.00 0.00 C ATOM 338 CG PHE A 25 15.562 -10.162 9.422 1.00 0.00 C ATOM 339 CD1 PHE A 25 15.875 -8.957 8.814 1.00 0.00 C ATOM 340 CD2 PHE A 25 15.716 -10.276 10.794 1.00 0.00 C ATOM 341 CE1 PHE A 25 16.335 -7.888 9.560 1.00 0.00 C ATOM 342 CE2 PHE A 25 16.176 -9.210 11.545 1.00 0.00 C ATOM 343 CZ PHE A 25 16.484 -8.015 10.927 1.00 0.00 C ATOM 0 H PHE A 25 12.760 -11.173 9.470 1.00 0.00 H new ATOM 0 HA PHE A 25 14.019 -9.969 7.306 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.772 -12.129 9.282 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.878 -11.702 7.992 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.758 -8.852 7.745 1.00 0.00 H new ATOM 0 HD2 PHE A 25 15.474 -11.208 11.283 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.578 -6.954 9.074 1.00 0.00 H new ATOM 0 HE2 PHE A 25 16.294 -9.312 12.614 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.841 -7.180 11.512 1.00 0.00 H new ATOM 353 N ASP A 26 13.161 -13.094 6.778 1.00 0.00 N ATOM 354 CA ASP A 26 13.017 -14.117 5.749 1.00 0.00 C ATOM 355 C ASP A 26 12.155 -13.611 4.597 1.00 0.00 C ATOM 356 O ASP A 26 12.399 -13.939 3.435 1.00 0.00 O ATOM 357 CB ASP A 26 12.403 -15.386 6.343 1.00 0.00 C ATOM 358 CG ASP A 26 13.448 -16.311 6.937 1.00 0.00 C ATOM 359 OD1 ASP A 26 14.483 -16.536 6.277 1.00 0.00 O ATOM 360 OD2 ASP A 26 13.228 -16.810 8.061 1.00 0.00 O ATOM 0 H ASP A 26 12.733 -13.333 7.672 1.00 0.00 H new ATOM 0 HA ASP A 26 14.009 -14.350 5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.684 -15.111 7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.851 -15.917 5.567 1.00 0.00 H new ATOM 365 N SER A 27 11.144 -12.813 4.926 1.00 0.00 N ATOM 366 CA SER A 27 10.243 -12.266 3.920 1.00 0.00 C ATOM 367 C SER A 27 11.027 -11.643 2.769 1.00 0.00 C ATOM 368 O SER A 27 12.117 -11.107 2.965 1.00 0.00 O ATOM 369 CB SER A 27 9.318 -11.221 4.547 1.00 0.00 C ATOM 370 OG SER A 27 8.327 -10.798 3.626 1.00 0.00 O ATOM 0 H SER A 27 10.929 -12.531 5.882 1.00 0.00 H new ATOM 0 HA SER A 27 9.640 -13.084 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.840 -11.639 5.433 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.904 -10.362 4.875 1.00 0.00 H new ATOM 0 HG SER A 27 7.748 -10.132 4.052 1.00 0.00 H new ATOM 376 N GLU A 28 10.462 -11.717 1.567 1.00 0.00 N ATOM 377 CA GLU A 28 11.109 -11.161 0.385 1.00 0.00 C ATOM 378 C GLU A 28 10.133 -10.304 -0.417 1.00 0.00 C ATOM 379 O GLU A 28 8.919 -10.492 -0.340 1.00 0.00 O ATOM 380 CB GLU A 28 11.661 -12.283 -0.497 1.00 0.00 C ATOM 381 CG GLU A 28 12.509 -13.291 0.261 1.00 0.00 C ATOM 382 CD GLU A 28 13.392 -14.117 -0.654 1.00 0.00 C ATOM 383 OE1 GLU A 28 12.940 -14.452 -1.769 1.00 0.00 O ATOM 384 OE2 GLU A 28 14.534 -14.428 -0.256 1.00 0.00 O ATOM 0 H GLU A 28 9.559 -12.156 1.387 1.00 0.00 H new ATOM 0 HA GLU A 28 11.933 -10.530 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.829 -12.804 -0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.259 -11.845 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.133 -12.765 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.857 -13.956 0.827 1.00 0.00 H new ATOM 391 N GLU A 29 10.674 -9.362 -1.183 1.00 0.00 N ATOM 392 CA GLU A 29 9.851 -8.475 -1.997 1.00 0.00 C ATOM 393 C GLU A 29 8.865 -9.274 -2.845 1.00 0.00 C ATOM 394 O GLU A 29 7.718 -8.867 -3.030 1.00 0.00 O ATOM 395 CB GLU A 29 10.733 -7.610 -2.900 1.00 0.00 C ATOM 396 CG GLU A 29 10.093 -6.288 -3.290 1.00 0.00 C ATOM 397 CD GLU A 29 11.062 -5.356 -3.991 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.736 -4.568 -3.295 1.00 0.00 O ATOM 399 OE2 GLU A 29 11.146 -5.414 -5.236 1.00 0.00 O ATOM 0 H GLU A 29 11.677 -9.193 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 29 9.286 -7.828 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.676 -7.411 -2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.971 -8.169 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.242 -6.479 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.706 -5.798 -2.397 1.00 0.00 H new ATOM 406 N GLU A 30 9.321 -10.412 -3.359 1.00 0.00 N ATOM 407 CA GLU A 30 8.480 -11.267 -4.188 1.00 0.00 C ATOM 408 C GLU A 30 7.299 -11.808 -3.389 1.00 0.00 C ATOM 409 O GLU A 30 6.147 -11.692 -3.807 1.00 0.00 O ATOM 410 CB GLU A 30 9.299 -12.427 -4.759 1.00 0.00 C ATOM 411 CG GLU A 30 8.453 -13.606 -5.208 1.00 0.00 C ATOM 412 CD GLU A 30 9.190 -14.523 -6.164 1.00 0.00 C ATOM 413 OE1 GLU A 30 10.165 -14.063 -6.794 1.00 0.00 O ATOM 414 OE2 GLU A 30 8.792 -15.700 -6.282 1.00 0.00 O ATOM 0 H GLU A 30 10.268 -10.763 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 30 8.094 -10.665 -5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.883 -12.066 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.008 -12.766 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.138 -14.176 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.548 -13.236 -5.690 1.00 0.00 H new ATOM 421 N ALA A 31 7.594 -12.401 -2.237 1.00 0.00 N ATOM 422 CA ALA A 31 6.557 -12.960 -1.378 1.00 0.00 C ATOM 423 C ALA A 31 5.623 -11.869 -0.864 1.00 0.00 C ATOM 424 O ALA A 31 4.408 -11.939 -1.051 1.00 0.00 O ATOM 425 CB ALA A 31 7.185 -13.711 -0.213 1.00 0.00 C ATOM 0 H ALA A 31 8.542 -12.507 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 31 5.966 -13.659 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.399 -14.123 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.806 -14.522 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.800 -13.027 0.371 1.00 0.00 H new ATOM 431 N LEU A 32 6.198 -10.862 -0.216 1.00 0.00 N ATOM 432 CA LEU A 32 5.416 -9.755 0.326 1.00 0.00 C ATOM 433 C LEU A 32 4.366 -9.289 -0.676 1.00 0.00 C ATOM 434 O LEU A 32 3.185 -9.180 -0.348 1.00 0.00 O ATOM 435 CB LEU A 32 6.335 -8.590 0.698 1.00 0.00 C ATOM 436 CG LEU A 32 5.661 -7.388 1.360 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.703 -6.400 1.860 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.703 -6.712 0.390 1.00 0.00 C ATOM 0 H LEU A 32 7.202 -10.789 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 32 4.905 -10.107 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.108 -8.963 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.838 -8.247 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 32 5.088 -7.743 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.204 -5.551 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.348 -6.890 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.305 -6.050 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.233 -5.859 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.254 -6.370 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.936 -7.422 0.082 1.00 0.00 H new ATOM 450 N GLY A 33 4.804 -9.016 -1.902 1.00 0.00 N ATOM 451 CA GLY A 33 3.888 -8.567 -2.934 1.00 0.00 C ATOM 452 C GLY A 33 2.834 -9.604 -3.266 1.00 0.00 C ATOM 453 O GLY A 33 1.639 -9.312 -3.246 1.00 0.00 O ATOM 0 H GLY A 33 5.777 -9.098 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.400 -7.649 -2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.451 -8.325 -3.835 1.00 0.00 H new ATOM 457 N GLU A 34 3.277 -10.819 -3.573 1.00 0.00 N ATOM 458 CA GLU A 34 2.362 -11.902 -3.913 1.00 0.00 C ATOM 459 C GLU A 34 1.286 -12.062 -2.843 1.00 0.00 C ATOM 460 O GLU A 34 0.254 -12.692 -3.073 1.00 0.00 O ATOM 461 CB GLU A 34 3.130 -13.215 -4.080 1.00 0.00 C ATOM 462 CG GLU A 34 3.846 -13.336 -5.414 1.00 0.00 C ATOM 463 CD GLU A 34 4.576 -14.657 -5.567 1.00 0.00 C ATOM 464 OE1 GLU A 34 5.716 -14.766 -5.070 1.00 0.00 O ATOM 465 OE2 GLU A 34 4.006 -15.581 -6.183 1.00 0.00 O ATOM 0 H GLU A 34 4.263 -11.078 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 34 1.877 -11.650 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.860 -13.304 -3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.436 -14.048 -3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.122 -13.230 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.559 -12.518 -5.515 1.00 0.00 H new ATOM 472 N VAL A 35 1.536 -11.486 -1.671 1.00 0.00 N ATOM 473 CA VAL A 35 0.590 -11.563 -0.564 1.00 0.00 C ATOM 474 C VAL A 35 -0.476 -10.479 -0.676 1.00 0.00 C ATOM 475 O VAL A 35 -1.667 -10.744 -0.506 1.00 0.00 O ATOM 476 CB VAL A 35 1.303 -11.428 0.794 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.290 -11.403 1.929 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.302 -12.559 0.986 1.00 0.00 C ATOM 0 H VAL A 35 2.386 -10.961 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 35 0.115 -12.543 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 35 1.849 -10.485 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.812 -11.307 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.383 -10.556 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.286 -12.328 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.797 -12.448 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.780 -13.515 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.047 -12.526 0.191 1.00 0.00 H new ATOM 488 N LEU A 36 -0.042 -9.257 -0.965 1.00 0.00 N ATOM 489 CA LEU A 36 -0.959 -8.131 -1.100 1.00 0.00 C ATOM 490 C LEU A 36 -1.716 -8.202 -2.423 1.00 0.00 C ATOM 491 O LEU A 36 -2.850 -7.735 -2.525 1.00 0.00 O ATOM 492 CB LEU A 36 -0.193 -6.810 -1.008 1.00 0.00 C ATOM 493 CG LEU A 36 0.750 -6.664 0.187 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.635 -5.438 0.021 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.042 -6.581 1.484 1.00 0.00 C ATOM 0 H LEU A 36 0.940 -9.021 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.681 -8.182 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.388 -6.686 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.916 -5.995 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 36 1.390 -7.545 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.299 -5.350 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.229 -5.538 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.012 -4.546 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.645 -6.477 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.706 -5.718 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.633 -7.489 1.608 1.00 0.00 H new ATOM 507 N GLN A 37 -1.081 -8.790 -3.432 1.00 0.00 N ATOM 508 CA GLN A 37 -1.695 -8.923 -4.747 1.00 0.00 C ATOM 509 C GLN A 37 -3.046 -9.626 -4.649 1.00 0.00 C ATOM 510 O GLN A 37 -3.948 -9.369 -5.446 1.00 0.00 O ATOM 511 CB GLN A 37 -0.772 -9.697 -5.689 1.00 0.00 C ATOM 512 CG GLN A 37 0.395 -8.874 -6.210 1.00 0.00 C ATOM 513 CD GLN A 37 0.936 -9.396 -7.527 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.544 -8.934 -8.599 1.00 0.00 O ATOM 515 NE2 GLN A 37 1.842 -10.363 -7.453 1.00 0.00 N ATOM 0 H GLN A 37 -0.142 -9.182 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.855 -7.922 -5.148 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.384 -10.572 -5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.354 -10.063 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.077 -7.839 -6.337 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.194 -8.873 -5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.138 -10.716 -6.543 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.242 -10.753 -8.306 1.00 0.00 H new ATOM 524 N GLN A 38 -3.176 -10.512 -3.667 1.00 0.00 N ATOM 525 CA GLN A 38 -4.416 -11.252 -3.466 1.00 0.00 C ATOM 526 C GLN A 38 -5.620 -10.317 -3.507 1.00 0.00 C ATOM 527 O GLN A 38 -6.707 -10.706 -3.936 1.00 0.00 O ATOM 528 CB GLN A 38 -4.379 -11.997 -2.131 1.00 0.00 C ATOM 529 CG GLN A 38 -4.689 -11.115 -0.932 1.00 0.00 C ATOM 530 CD GLN A 38 -4.590 -11.861 0.383 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.480 -11.772 1.230 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.504 -12.604 0.562 1.00 0.00 N ATOM 0 H GLN A 38 -2.438 -10.735 -2.999 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.513 -11.976 -4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.096 -12.818 -2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.392 -12.441 -1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.000 -10.271 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.693 -10.705 -1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.791 -12.649 -0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.383 -13.130 1.428 1.00 0.00 H new ATOM 541 N PHE A 39 -5.420 -9.082 -3.057 1.00 0.00 N ATOM 542 CA PHE A 39 -6.491 -8.092 -3.041 1.00 0.00 C ATOM 543 C PHE A 39 -6.607 -7.395 -4.393 1.00 0.00 C ATOM 544 O PHE A 39 -7.703 -7.230 -4.927 1.00 0.00 O ATOM 545 CB PHE A 39 -6.240 -7.058 -1.941 1.00 0.00 C ATOM 546 CG PHE A 39 -6.157 -7.654 -0.565 1.00 0.00 C ATOM 547 CD1 PHE A 39 -7.308 -7.951 0.146 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.927 -7.916 0.017 1.00 0.00 C ATOM 549 CE1 PHE A 39 -7.234 -8.500 1.413 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.847 -8.465 1.282 1.00 0.00 C ATOM 551 CZ PHE A 39 -6.002 -8.757 1.982 1.00 0.00 C ATOM 0 H PHE A 39 -4.527 -8.743 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.429 -8.609 -2.838 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.311 -6.529 -2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.040 -6.318 -1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.274 -7.752 -0.294 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.021 -7.688 -0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.139 -8.728 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.882 -8.666 1.724 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.942 -9.185 2.972 1.00 0.00 H new ATOM 561 N GLY A 40 -5.467 -6.987 -4.942 1.00 0.00 N ATOM 562 CA GLY A 40 -5.462 -6.312 -6.227 1.00 0.00 C ATOM 563 C GLY A 40 -4.070 -6.192 -6.814 1.00 0.00 C ATOM 564 O GLY A 40 -3.075 -6.369 -6.110 1.00 0.00 O ATOM 0 H GLY A 40 -4.547 -7.112 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.100 -6.857 -6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.892 -5.317 -6.113 1.00 0.00 H new ATOM 568 N ASP A 41 -3.998 -5.892 -8.106 1.00 0.00 N ATOM 569 CA ASP A 41 -2.717 -5.750 -8.788 1.00 0.00 C ATOM 570 C ASP A 41 -1.822 -4.751 -8.061 1.00 0.00 C ATOM 571 O ASP A 41 -2.254 -3.649 -7.718 1.00 0.00 O ATOM 572 CB ASP A 41 -2.932 -5.302 -10.234 1.00 0.00 C ATOM 573 CG ASP A 41 -3.813 -6.259 -11.012 1.00 0.00 C ATOM 574 OD1 ASP A 41 -4.960 -6.497 -10.577 1.00 0.00 O ATOM 575 OD2 ASP A 41 -3.358 -6.770 -12.056 1.00 0.00 O ATOM 0 H ASP A 41 -4.812 -5.742 -8.702 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.223 -6.722 -8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.384 -4.310 -10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.966 -5.216 -10.732 1.00 0.00 H new ATOM 580 N LEU A 42 -0.575 -5.142 -7.826 1.00 0.00 N ATOM 581 CA LEU A 42 0.381 -4.281 -7.138 1.00 0.00 C ATOM 582 C LEU A 42 1.219 -3.491 -8.137 1.00 0.00 C ATOM 583 O LEU A 42 2.029 -4.057 -8.871 1.00 0.00 O ATOM 584 CB LEU A 42 1.293 -5.117 -6.238 1.00 0.00 C ATOM 585 CG LEU A 42 0.778 -5.384 -4.824 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.552 -6.525 -4.181 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.875 -4.126 -3.973 1.00 0.00 C ATOM 0 H LEU A 42 -0.202 -6.050 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.179 -3.576 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.471 -6.076 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.257 -4.613 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.271 -5.674 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.172 -6.701 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.431 -7.429 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.609 -6.264 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.504 -4.336 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.915 -3.805 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.276 -3.335 -4.424 1.00 0.00 H new ATOM 599 N LYS A 43 1.020 -2.177 -8.160 1.00 0.00 N ATOM 600 CA LYS A 43 1.760 -1.306 -9.066 1.00 0.00 C ATOM 601 C LYS A 43 3.264 -1.479 -8.880 1.00 0.00 C ATOM 602 O LYS A 43 4.008 -1.605 -9.853 1.00 0.00 O ATOM 603 CB LYS A 43 1.371 0.156 -8.831 1.00 0.00 C ATOM 604 CG LYS A 43 2.214 1.143 -9.620 1.00 0.00 C ATOM 605 CD LYS A 43 1.631 1.396 -11.000 1.00 0.00 C ATOM 606 CE LYS A 43 2.010 2.774 -11.521 1.00 0.00 C ATOM 607 NZ LYS A 43 1.956 2.839 -13.008 1.00 0.00 N ATOM 0 H LYS A 43 0.352 -1.692 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 43 1.504 -1.585 -10.088 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.323 0.292 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.462 0.381 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.280 2.084 -9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.229 0.759 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.988 0.633 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.545 1.307 -10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.335 3.520 -11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.015 3.026 -11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.221 3.794 -13.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.618 2.145 -13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.991 2.623 -13.330 1.00 0.00 H new ATOM 621 N TYR A 44 3.704 -1.486 -7.627 1.00 0.00 N ATOM 622 CA TYR A 44 5.120 -1.643 -7.315 1.00 0.00 C ATOM 623 C TYR A 44 5.316 -2.010 -5.848 1.00 0.00 C ATOM 624 O TYR A 44 4.572 -1.559 -4.977 1.00 0.00 O ATOM 625 CB TYR A 44 5.880 -0.355 -7.636 1.00 0.00 C ATOM 626 CG TYR A 44 5.959 0.608 -6.473 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.843 0.389 -5.423 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.149 1.736 -6.422 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.918 1.265 -4.358 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.219 2.618 -5.362 1.00 0.00 C ATOM 631 CZ TYR A 44 6.104 2.378 -4.332 1.00 0.00 C ATOM 632 OH TYR A 44 6.175 3.254 -3.273 1.00 0.00 O ATOM 0 H TYR A 44 3.101 -1.385 -6.811 1.00 0.00 H new ATOM 0 HA TYR A 44 5.514 -2.452 -7.929 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.891 -0.610 -7.955 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.396 0.143 -8.476 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.482 -0.481 -5.440 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.453 1.926 -7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.610 1.080 -3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.584 3.491 -5.340 1.00 0.00 H new ATOM 0 HH TYR A 44 5.537 3.985 -3.410 1.00 0.00 H new ATOM 642 N VAL A 45 6.326 -2.833 -5.581 1.00 0.00 N ATOM 643 CA VAL A 45 6.624 -3.261 -4.219 1.00 0.00 C ATOM 644 C VAL A 45 8.110 -3.117 -3.911 1.00 0.00 C ATOM 645 O VAL A 45 8.947 -3.793 -4.509 1.00 0.00 O ATOM 646 CB VAL A 45 6.202 -4.724 -3.986 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.613 -5.593 -5.164 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.800 -5.250 -2.690 1.00 0.00 C ATOM 0 H VAL A 45 6.951 -3.216 -6.290 1.00 0.00 H new ATOM 0 HA VAL A 45 6.053 -2.615 -3.552 1.00 0.00 H new ATOM 0 HB VAL A 45 5.116 -4.762 -3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.306 -6.623 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.132 -5.227 -6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.695 -5.553 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.492 -6.285 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.887 -5.199 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.450 -4.643 -1.855 1.00 0.00 H new ATOM 658 N ARG A 46 8.431 -2.233 -2.972 1.00 0.00 N ATOM 659 CA ARG A 46 9.816 -1.999 -2.584 1.00 0.00 C ATOM 660 C ARG A 46 9.999 -2.188 -1.081 1.00 0.00 C ATOM 661 O ARG A 46 9.237 -1.647 -0.279 1.00 0.00 O ATOM 662 CB ARG A 46 10.251 -0.589 -2.988 1.00 0.00 C ATOM 663 CG ARG A 46 11.740 -0.468 -3.267 1.00 0.00 C ATOM 664 CD ARG A 46 12.241 0.946 -3.013 1.00 0.00 C ATOM 665 NE ARG A 46 13.699 1.011 -2.970 1.00 0.00 N ATOM 666 CZ ARG A 46 14.391 2.129 -3.156 1.00 0.00 C ATOM 667 NH1 ARG A 46 13.760 3.270 -3.398 1.00 0.00 N ATOM 668 NH2 ARG A 46 15.717 2.107 -3.102 1.00 0.00 N ATOM 0 H ARG A 46 7.750 -1.667 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 46 10.440 -2.727 -3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.698 -0.288 -3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.981 0.107 -2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.288 -1.168 -2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.941 -0.746 -4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.872 1.608 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.834 1.311 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 46 14.214 0.150 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.741 3.290 -3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.294 4.128 -3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.205 1.231 -2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.248 2.966 -3.245 1.00 0.00 H new ATOM 682 N VAL A 47 11.015 -2.959 -0.705 1.00 0.00 N ATOM 683 CA VAL A 47 11.298 -3.219 0.701 1.00 0.00 C ATOM 684 C VAL A 47 12.662 -2.664 1.099 1.00 0.00 C ATOM 685 O VAL A 47 13.698 -3.149 0.644 1.00 0.00 O ATOM 686 CB VAL A 47 11.259 -4.727 1.012 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.268 -5.476 0.155 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.518 -4.972 2.491 1.00 0.00 C ATOM 0 H VAL A 47 11.656 -3.414 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 47 10.522 -2.716 1.278 1.00 0.00 H new ATOM 0 HB VAL A 47 10.265 -5.104 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.226 -6.540 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 47 12.032 -5.327 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.270 -5.099 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.487 -6.043 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.500 -4.581 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.753 -4.469 3.083 1.00 0.00 H new ATOM 698 N VAL A 48 12.654 -1.644 1.951 1.00 0.00 N ATOM 699 CA VAL A 48 13.891 -1.024 2.412 1.00 0.00 C ATOM 700 C VAL A 48 14.786 -2.039 3.113 1.00 0.00 C ATOM 701 O VAL A 48 14.304 -2.930 3.813 1.00 0.00 O ATOM 702 CB VAL A 48 13.607 0.145 3.373 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.730 -0.313 4.528 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.910 0.740 3.886 1.00 0.00 C ATOM 0 H VAL A 48 11.805 -1.229 2.336 1.00 0.00 H new ATOM 0 HA VAL A 48 14.403 -0.642 1.529 1.00 0.00 H new ATOM 0 HB VAL A 48 13.070 0.920 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.540 0.527 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.783 -0.688 4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.237 -1.106 5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.691 1.565 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.475 -0.026 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.498 1.108 3.045 1.00 0.00 H new ATOM 857 N GLY A 58 12.339 -4.614 8.920 1.00 0.00 N ATOM 858 CA GLY A 58 11.039 -5.091 9.356 1.00 0.00 C ATOM 859 C GLY A 58 9.903 -4.231 8.840 1.00 0.00 C ATOM 860 O GLY A 58 8.875 -4.087 9.502 1.00 0.00 O ATOM 0 HA2 GLY A 58 10.898 -6.116 9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.009 -5.111 10.445 1.00 0.00 H new ATOM 864 N CYS A 59 10.088 -3.657 7.656 1.00 0.00 N ATOM 865 CA CYS A 59 9.070 -2.804 7.053 1.00 0.00 C ATOM 866 C CYS A 59 9.303 -2.658 5.552 1.00 0.00 C ATOM 867 O CYS A 59 10.423 -2.823 5.069 1.00 0.00 O ATOM 868 CB CYS A 59 9.070 -1.427 7.717 1.00 0.00 C ATOM 869 SG CYS A 59 10.685 -0.614 7.732 1.00 0.00 S ATOM 0 H CYS A 59 10.933 -3.767 7.095 1.00 0.00 H new ATOM 0 HA CYS A 59 8.099 -3.274 7.208 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.357 -0.786 7.199 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.718 -1.531 8.743 1.00 0.00 H new ATOM 0 HG CYS A 59 10.582 0.545 8.312 1.00 0.00 H new ATOM 875 N ALA A 60 8.238 -2.350 4.821 1.00 0.00 N ATOM 876 CA ALA A 60 8.326 -2.181 3.376 1.00 0.00 C ATOM 877 C ALA A 60 7.180 -1.322 2.852 1.00 0.00 C ATOM 878 O ALA A 60 6.172 -1.132 3.533 1.00 0.00 O ATOM 879 CB ALA A 60 8.329 -3.537 2.685 1.00 0.00 C ATOM 0 H ALA A 60 7.303 -2.212 5.206 1.00 0.00 H new ATOM 0 HA ALA A 60 9.262 -1.668 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.395 -3.395 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.185 -4.118 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.409 -4.070 2.925 1.00 0.00 H new ATOM 885 N PHE A 61 7.341 -0.804 1.639 1.00 0.00 N ATOM 886 CA PHE A 61 6.321 0.037 1.025 1.00 0.00 C ATOM 887 C PHE A 61 5.818 -0.581 -0.277 1.00 0.00 C ATOM 888 O PHE A 61 6.596 -1.126 -1.059 1.00 0.00 O ATOM 889 CB PHE A 61 6.877 1.437 0.756 1.00 0.00 C ATOM 890 CG PHE A 61 7.586 2.036 1.936 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.915 1.738 2.187 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.923 2.899 2.795 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.570 2.288 3.273 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.573 3.453 3.882 1.00 0.00 C ATOM 895 CZ PHE A 61 8.898 3.147 4.121 1.00 0.00 C ATOM 0 H PHE A 61 8.169 -0.952 1.062 1.00 0.00 H new ATOM 0 HA PHE A 61 5.484 0.113 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.567 1.390 -0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.059 2.094 0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.446 1.068 1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.886 3.141 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.606 2.046 3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.045 4.124 4.543 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.408 3.578 4.969 1.00 0.00 H new ATOM 905 N ALA A 62 4.511 -0.493 -0.501 1.00 0.00 N ATOM 906 CA ALA A 62 3.903 -1.041 -1.707 1.00 0.00 C ATOM 907 C ALA A 62 2.866 -0.084 -2.283 1.00 0.00 C ATOM 908 O ALA A 62 2.483 0.892 -1.638 1.00 0.00 O ATOM 909 CB ALA A 62 3.270 -2.393 -1.411 1.00 0.00 C ATOM 0 H ALA A 62 3.853 -0.047 0.138 1.00 0.00 H new ATOM 0 HA ALA A 62 4.688 -1.175 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.820 -2.791 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.035 -3.082 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.502 -2.276 -0.647 1.00 0.00 H new ATOM 915 N GLN A 63 2.416 -0.369 -3.501 1.00 0.00 N ATOM 916 CA GLN A 63 1.424 0.469 -4.164 1.00 0.00 C ATOM 917 C GLN A 63 0.435 -0.381 -4.955 1.00 0.00 C ATOM 918 O GLN A 63 0.827 -1.160 -5.824 1.00 0.00 O ATOM 919 CB GLN A 63 2.111 1.472 -5.093 1.00 0.00 C ATOM 920 CG GLN A 63 1.311 2.746 -5.311 1.00 0.00 C ATOM 921 CD GLN A 63 1.798 3.543 -6.505 1.00 0.00 C ATOM 922 OE1 GLN A 63 2.980 3.509 -6.848 1.00 0.00 O ATOM 923 NE2 GLN A 63 0.888 4.267 -7.145 1.00 0.00 N ATOM 0 H GLN A 63 2.723 -1.173 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 63 0.874 1.014 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.085 1.731 -4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.292 0.997 -6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.261 2.491 -5.453 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.371 3.366 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.081 4.266 -6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.158 4.824 -7.956 1.00 0.00 H new ATOM 932 N PHE A 64 -0.849 -0.225 -4.649 1.00 0.00 N ATOM 933 CA PHE A 64 -1.894 -0.980 -5.330 1.00 0.00 C ATOM 934 C PHE A 64 -2.267 -0.318 -6.654 1.00 0.00 C ATOM 935 O PHE A 64 -1.825 0.791 -6.951 1.00 0.00 O ATOM 936 CB PHE A 64 -3.132 -1.096 -4.439 1.00 0.00 C ATOM 937 CG PHE A 64 -3.120 -2.309 -3.552 1.00 0.00 C ATOM 938 CD1 PHE A 64 -3.445 -3.557 -4.058 1.00 0.00 C ATOM 939 CD2 PHE A 64 -2.784 -2.200 -2.212 1.00 0.00 C ATOM 940 CE1 PHE A 64 -3.435 -4.674 -3.245 1.00 0.00 C ATOM 941 CE2 PHE A 64 -2.772 -3.313 -1.394 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.098 -4.552 -1.911 1.00 0.00 C ATOM 0 H PHE A 64 -1.190 0.417 -3.934 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.510 -1.979 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.209 -0.203 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.022 -1.124 -5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.709 -3.658 -5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.529 -1.234 -1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.690 -5.641 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.508 -3.215 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.089 -5.424 -1.273 1.00 0.00 H new ATOM 952 N MET A 65 -3.082 -1.008 -7.444 1.00 0.00 N ATOM 953 CA MET A 65 -3.516 -0.488 -8.736 1.00 0.00 C ATOM 954 C MET A 65 -4.896 0.152 -8.629 1.00 0.00 C ATOM 955 O MET A 65 -5.405 0.722 -9.595 1.00 0.00 O ATOM 956 CB MET A 65 -3.539 -1.607 -9.779 1.00 0.00 C ATOM 957 CG MET A 65 -2.212 -1.797 -10.496 1.00 0.00 C ATOM 958 SD MET A 65 -2.076 -0.789 -11.985 1.00 0.00 S ATOM 959 CE MET A 65 -2.039 0.856 -11.279 1.00 0.00 C ATOM 0 H MET A 65 -3.456 -1.929 -7.213 1.00 0.00 H new ATOM 0 HA MET A 65 -2.804 0.276 -9.049 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.816 -2.542 -9.291 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.313 -1.390 -10.515 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.397 -1.546 -9.817 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.094 -2.848 -10.761 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.594 1.549 -11.994 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.055 1.176 -11.048 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.445 0.846 -10.365 1.00 0.00 H new ATOM 969 N THR A 66 -5.499 0.054 -7.448 1.00 0.00 N ATOM 970 CA THR A 66 -6.821 0.621 -7.216 1.00 0.00 C ATOM 971 C THR A 66 -6.997 1.026 -5.757 1.00 0.00 C ATOM 972 O THR A 66 -6.624 0.284 -4.849 1.00 0.00 O ATOM 973 CB THR A 66 -7.935 -0.372 -7.599 1.00 0.00 C ATOM 974 OG1 THR A 66 -7.665 -1.655 -7.024 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.047 -0.501 -9.111 1.00 0.00 C ATOM 0 H THR A 66 -5.092 -0.413 -6.638 1.00 0.00 H new ATOM 0 HA THR A 66 -6.900 1.505 -7.848 1.00 0.00 H new ATOM 0 HB THR A 66 -8.880 0.008 -7.212 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.378 -2.280 -7.270 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.840 -1.207 -9.358 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.280 0.472 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.101 -0.861 -9.517 1.00 0.00 H new ATOM 983 N GLN A 67 -7.569 2.206 -5.540 1.00 0.00 N ATOM 984 CA GLN A 67 -7.794 2.708 -4.189 1.00 0.00 C ATOM 985 C GLN A 67 -8.483 1.657 -3.325 1.00 0.00 C ATOM 986 O GLN A 67 -8.073 1.406 -2.193 1.00 0.00 O ATOM 987 CB GLN A 67 -8.638 3.984 -4.231 1.00 0.00 C ATOM 988 CG GLN A 67 -7.811 5.259 -4.262 1.00 0.00 C ATOM 989 CD GLN A 67 -7.563 5.827 -2.878 1.00 0.00 C ATOM 990 OE1 GLN A 67 -7.934 6.964 -2.586 1.00 0.00 O ATOM 991 NE2 GLN A 67 -6.932 5.037 -2.018 1.00 0.00 N ATOM 0 H GLN A 67 -7.885 2.832 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.824 2.936 -3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.281 3.956 -5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.292 4.006 -3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.855 5.056 -4.744 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.323 6.005 -4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.642 4.101 -2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.737 5.366 -1.072 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.531 1.046 -3.868 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.277 0.023 -3.146 1.00 0.00 C ATOM 1002 C GLU A 68 -9.341 -1.057 -2.610 1.00 0.00 C ATOM 1003 O GLU A 68 -9.425 -1.444 -1.445 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.334 -0.608 -4.055 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.562 -1.102 -3.310 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.362 0.028 -2.691 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -14.233 0.589 -3.388 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -13.116 0.352 -1.510 1.00 0.00 O ATOM 0 H GLU A 68 -9.882 1.242 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.774 0.501 -2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.643 0.124 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.886 -1.443 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.199 -1.660 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.253 -1.795 -2.527 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.450 -1.539 -3.470 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.497 -2.572 -3.084 1.00 0.00 C ATOM 1017 C ALA A 69 -6.818 -2.226 -1.763 1.00 0.00 C ATOM 1018 O ALA A 69 -7.008 -2.912 -0.759 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.458 -2.767 -4.178 1.00 0.00 C ATOM 0 H ALA A 69 -8.368 -1.231 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.045 -3.504 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.753 -3.541 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.954 -3.067 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.922 -1.832 -4.342 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.025 -1.160 -1.772 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.319 -0.723 -0.574 1.00 0.00 C ATOM 1027 C ALA A 70 -6.205 -0.847 0.661 1.00 0.00 C ATOM 1028 O ALA A 70 -5.802 -1.429 1.668 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.837 0.711 -0.738 1.00 0.00 C ATOM 0 H ALA A 70 -5.855 -0.583 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.454 -1.372 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.312 1.024 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.161 0.772 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.692 1.366 -0.905 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.411 -0.294 0.577 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.352 -0.343 1.689 1.00 0.00 C ATOM 1037 C GLN A 71 -8.701 -1.784 2.045 1.00 0.00 C ATOM 1038 O GLN A 71 -8.785 -2.142 3.220 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.625 0.432 1.342 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.367 1.874 0.937 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.202 2.492 1.685 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -8.391 3.213 2.665 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -6.988 2.211 1.226 1.00 0.00 N ATOM 0 H GLN A 71 -7.759 0.193 -0.249 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.877 0.120 2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.141 -0.078 0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.294 0.419 2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.169 1.917 -0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.265 2.465 1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.878 1.609 0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.166 2.598 1.689 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.904 -2.608 1.023 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.243 -4.011 1.226 1.00 0.00 C ATOM 1054 C LYS A 72 -8.111 -4.747 1.937 1.00 0.00 C ATOM 1055 O LYS A 72 -8.336 -5.765 2.594 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.540 -4.685 -0.115 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.851 -4.242 -0.741 1.00 0.00 C ATOM 1058 CD LYS A 72 -11.152 -5.018 -2.013 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.494 -4.616 -2.606 1.00 0.00 C ATOM 1060 NZ LYS A 72 -13.074 -5.699 -3.449 1.00 0.00 N ATOM 0 H LYS A 72 -8.839 -2.328 0.044 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.133 -4.056 1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.726 -4.472 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.562 -5.765 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.662 -4.383 -0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.806 -3.176 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.363 -4.842 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.154 -6.086 -1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.188 -4.371 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.371 -3.715 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.988 -5.387 -3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.424 -5.916 -4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.216 -6.551 -2.870 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.897 -4.226 1.803 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.730 -4.834 2.433 1.00 0.00 C ATOM 1076 C CYS A 73 -5.665 -4.476 3.915 1.00 0.00 C ATOM 1077 O CYS A 73 -5.264 -5.293 4.745 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.450 -4.381 1.730 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.940 -4.687 2.675 1.00 0.00 S ATOM 0 H CYS A 73 -6.695 -3.384 1.264 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.821 -5.916 2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.375 -4.892 0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.523 -3.314 1.518 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.592 -5.933 2.546 1.00 0.00 H new ATOM 1085 N LEU A 74 -6.059 -3.250 4.239 1.00 0.00 N ATOM 1086 CA LEU A 74 -6.044 -2.782 5.621 1.00 0.00 C ATOM 1087 C LEU A 74 -6.984 -3.613 6.488 1.00 0.00 C ATOM 1088 O LEU A 74 -6.546 -4.317 7.398 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.443 -1.307 5.685 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.664 -0.360 4.772 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.267 1.036 4.811 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.196 -0.320 5.173 1.00 0.00 C ATOM 0 H LEU A 74 -6.393 -2.562 3.564 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.030 -2.895 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.502 -1.227 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.328 -0.965 6.713 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.731 -0.734 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.699 1.696 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.303 0.994 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.231 1.419 5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.657 0.359 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.109 0.029 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.769 -1.320 5.092 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.278 -3.529 6.198 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.280 -4.276 6.947 1.00 0.00 C ATOM 1106 C ALA A 75 -8.850 -5.726 7.144 1.00 0.00 C ATOM 1107 O ALA A 75 -9.259 -6.380 8.103 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.625 -4.214 6.239 1.00 0.00 C ATOM 0 H ALA A 75 -8.657 -2.950 5.449 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.379 -3.817 7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.363 -4.777 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.945 -3.175 6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.532 -4.646 5.242 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.023 -6.222 6.229 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.537 -7.594 6.303 1.00 0.00 C ATOM 1116 C ALA A 76 -6.252 -7.678 7.121 1.00 0.00 C ATOM 1117 O ALA A 76 -6.010 -8.666 7.814 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.312 -8.151 4.905 1.00 0.00 C ATOM 0 H ALA A 76 -7.676 -5.694 5.428 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.296 -8.195 6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.949 -9.176 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.251 -8.136 4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.574 -7.540 4.384 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.432 -6.636 7.035 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.173 -6.591 7.768 1.00 0.00 C ATOM 1126 C ALA A 77 -4.402 -6.223 9.230 1.00 0.00 C ATOM 1127 O ALA A 77 -3.560 -6.492 10.087 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.218 -5.603 7.116 1.00 0.00 C ATOM 0 H ALA A 77 -5.617 -5.811 6.464 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.727 -7.585 7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.282 -5.580 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.021 -5.911 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.666 -4.609 7.117 1.00 0.00 H new ATOM 1134 N SER A 78 -5.546 -5.606 9.508 1.00 0.00 N ATOM 1135 CA SER A 78 -5.883 -5.197 10.866 1.00 0.00 C ATOM 1136 C SER A 78 -6.655 -6.296 11.589 1.00 0.00 C ATOM 1137 O SER A 78 -7.869 -6.429 11.425 1.00 0.00 O ATOM 1138 CB SER A 78 -6.708 -3.909 10.844 1.00 0.00 C ATOM 1139 OG SER A 78 -6.495 -3.146 12.019 1.00 0.00 O ATOM 0 H SER A 78 -6.255 -5.379 8.811 1.00 0.00 H new ATOM 0 HA SER A 78 -4.953 -5.015 11.405 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.440 -3.317 9.969 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.766 -4.153 10.752 1.00 0.00 H new ATOM 0 HG SER A 78 -7.032 -2.327 11.979 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.531 -10.514 8.775 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.503 -11.123 7.938 1.00 0.00 C ATOM 1227 C LEU A 86 -1.242 -11.412 8.747 1.00 0.00 C ATOM 1228 O LEU A 86 -0.885 -10.657 9.652 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.167 -10.207 6.760 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.031 -10.377 5.510 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.472 -9.987 5.800 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.474 -9.550 4.360 1.00 0.00 C ATOM 0 HA LEU A 86 -2.893 -12.067 7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.248 -9.173 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.126 -10.372 6.483 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.012 -11.427 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.072 -10.114 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.868 -10.622 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.510 -8.945 6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.101 -9.683 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.462 -8.497 4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.459 -9.877 4.135 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.570 -12.509 8.415 1.00 0.00 N ATOM 1245 CA LYS A 87 0.653 -12.897 9.107 1.00 0.00 C ATOM 1246 C LYS A 87 1.622 -13.587 8.153 1.00 0.00 C ATOM 1247 O LYS A 87 1.230 -14.459 7.376 1.00 0.00 O ATOM 1248 CB LYS A 87 0.327 -13.825 10.279 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.269 -13.106 11.477 1.00 0.00 C ATOM 1250 CD LYS A 87 0.084 -13.805 12.779 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.872 -13.416 13.897 1.00 0.00 C ATOM 1252 NZ LYS A 87 -2.098 -14.261 13.897 1.00 0.00 N ATOM 0 H LYS A 87 -0.852 -13.146 7.670 1.00 0.00 H new ATOM 0 HA LYS A 87 1.128 -11.993 9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.371 -14.591 9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.237 -14.338 10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.095 -12.079 11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.353 -13.057 11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.055 -14.885 12.633 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.104 -13.549 13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.365 -13.511 14.857 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.153 -12.369 13.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.724 -13.965 14.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.595 -14.151 12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.832 -15.258 14.028 1.00 0.00 H new ATOM 1266 N LEU A 88 2.890 -13.193 8.217 1.00 0.00 N ATOM 1267 CA LEU A 88 3.916 -13.775 7.360 1.00 0.00 C ATOM 1268 C LEU A 88 5.020 -14.419 8.193 1.00 0.00 C ATOM 1269 O LEU A 88 5.807 -13.728 8.839 1.00 0.00 O ATOM 1270 CB LEU A 88 4.511 -12.704 6.444 1.00 0.00 C ATOM 1271 CG LEU A 88 5.104 -13.202 5.125 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.036 -13.245 4.043 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.266 -12.319 4.696 1.00 0.00 C ATOM 0 H LEU A 88 3.231 -12.473 8.854 1.00 0.00 H new ATOM 0 HA LEU A 88 3.449 -14.548 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.733 -11.975 6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.291 -12.177 6.994 1.00 0.00 H new ATOM 0 HG LEU A 88 5.480 -14.214 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.476 -13.602 3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.236 -13.919 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.630 -12.245 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.676 -12.688 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.915 -11.296 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.041 -12.340 5.462 1.00 0.00 H new ATOM 1285 N ASP A 89 5.073 -15.746 8.170 1.00 0.00 N ATOM 1286 CA ASP A 89 6.083 -16.484 8.920 1.00 0.00 C ATOM 1287 C ASP A 89 5.941 -16.229 10.418 1.00 0.00 C ATOM 1288 O ASP A 89 6.935 -16.097 11.131 1.00 0.00 O ATOM 1289 CB ASP A 89 7.485 -16.090 8.453 1.00 0.00 C ATOM 1290 CG ASP A 89 7.974 -16.948 7.303 1.00 0.00 C ATOM 1291 OD1 ASP A 89 7.433 -16.809 6.186 1.00 0.00 O ATOM 1292 OD2 ASP A 89 8.900 -17.758 7.520 1.00 0.00 O ATOM 0 H ASP A 89 4.429 -16.333 7.640 1.00 0.00 H new ATOM 0 HA ASP A 89 5.933 -17.548 8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.482 -15.044 8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.180 -16.176 9.288 1.00 0.00 H new ATOM 1297 N GLY A 90 4.699 -16.160 10.887 1.00 0.00 N ATOM 1298 CA GLY A 90 4.451 -15.919 12.296 1.00 0.00 C ATOM 1299 C GLY A 90 4.701 -14.478 12.691 1.00 0.00 C ATOM 1300 O GLY A 90 5.059 -14.194 13.835 1.00 0.00 O ATOM 0 H GLY A 90 3.860 -16.267 10.316 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.420 -16.183 12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.090 -16.572 12.891 1.00 0.00 H new ATOM 1304 N ARG A 91 4.515 -13.565 11.744 1.00 0.00 N ATOM 1305 CA ARG A 91 4.726 -12.145 11.998 1.00 0.00 C ATOM 1306 C ARG A 91 3.495 -11.333 11.604 1.00 0.00 C ATOM 1307 O ARG A 91 3.029 -11.409 10.467 1.00 0.00 O ATOM 1308 CB ARG A 91 5.949 -11.644 11.229 1.00 0.00 C ATOM 1309 CG ARG A 91 7.264 -12.210 11.739 1.00 0.00 C ATOM 1310 CD ARG A 91 7.867 -11.330 12.822 1.00 0.00 C ATOM 1311 NE ARG A 91 8.931 -12.013 13.553 1.00 0.00 N ATOM 1312 CZ ARG A 91 9.843 -11.382 14.284 1.00 0.00 C ATOM 1313 NH1 ARG A 91 9.820 -10.060 14.382 1.00 0.00 N ATOM 1314 NH2 ARG A 91 10.780 -12.074 14.921 1.00 0.00 N ATOM 0 H ARG A 91 4.218 -13.783 10.793 1.00 0.00 H new ATOM 0 HA ARG A 91 4.899 -12.014 13.066 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.836 -11.902 10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.984 -10.556 11.288 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.101 -13.213 12.133 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.967 -12.303 10.911 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.263 -10.420 12.371 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.086 -11.026 13.519 1.00 0.00 H new ATOM 0 HE ARG A 91 8.976 -13.031 13.499 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.101 -9.525 13.895 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.522 -9.578 14.944 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.800 -13.091 14.849 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.480 -11.588 15.482 1.00 0.00 H new ATOM 1328 N GLN A 92 2.976 -10.558 12.550 1.00 0.00 N ATOM 1329 CA GLN A 92 1.799 -9.733 12.301 1.00 0.00 C ATOM 1330 C GLN A 92 2.139 -8.564 11.383 1.00 0.00 C ATOM 1331 O GLN A 92 2.796 -7.607 11.795 1.00 0.00 O ATOM 1332 CB GLN A 92 1.227 -9.212 13.620 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.276 -8.990 13.586 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.680 -7.874 12.642 1.00 0.00 C ATOM 1335 OE1 GLN A 92 -0.133 -6.772 12.695 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.641 -8.155 11.770 1.00 0.00 N ATOM 0 H GLN A 92 3.351 -10.484 13.496 1.00 0.00 H new ATOM 0 HA GLN A 92 1.049 -10.352 11.808 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.463 -9.921 14.414 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.719 -8.273 13.874 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.769 -9.914 13.283 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.628 -8.756 14.591 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.067 -9.082 11.761 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.954 -7.444 11.109 1.00 0.00 H new ATOM 1345 N LEU A 93 1.687 -8.647 10.136 1.00 0.00 N ATOM 1346 CA LEU A 93 1.943 -7.595 9.158 1.00 0.00 C ATOM 1347 C LEU A 93 0.986 -6.423 9.356 1.00 0.00 C ATOM 1348 O LEU A 93 -0.233 -6.593 9.336 1.00 0.00 O ATOM 1349 CB LEU A 93 1.805 -8.147 7.738 1.00 0.00 C ATOM 1350 CG LEU A 93 2.427 -9.521 7.489 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.171 -9.972 6.059 1.00 0.00 C ATOM 1352 CD2 LEU A 93 3.920 -9.491 7.781 1.00 0.00 C ATOM 0 H LEU A 93 1.142 -9.431 9.779 1.00 0.00 H new ATOM 0 HA LEU A 93 2.962 -7.237 9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.744 -8.200 7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.257 -7.435 7.047 1.00 0.00 H new ATOM 0 HG LEU A 93 1.959 -10.238 8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.621 -10.952 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.097 -10.033 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.611 -9.254 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.346 -10.477 7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.403 -8.761 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.082 -9.213 8.823 1.00 0.00 H new ATOM 1364 N LYS A 94 1.547 -5.234 9.545 1.00 0.00 N ATOM 1365 CA LYS A 94 0.745 -4.032 9.743 1.00 0.00 C ATOM 1366 C LYS A 94 0.755 -3.159 8.491 1.00 0.00 C ATOM 1367 O LYS A 94 1.725 -2.449 8.226 1.00 0.00 O ATOM 1368 CB LYS A 94 1.271 -3.234 10.938 1.00 0.00 C ATOM 1369 CG LYS A 94 0.634 -3.627 12.259 1.00 0.00 C ATOM 1370 CD LYS A 94 0.684 -2.488 13.263 1.00 0.00 C ATOM 1371 CE LYS A 94 -0.165 -2.788 14.489 1.00 0.00 C ATOM 1372 NZ LYS A 94 0.572 -3.613 15.486 1.00 0.00 N ATOM 0 H LYS A 94 2.555 -5.076 9.565 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.282 -4.339 9.943 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.350 -3.371 11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.096 -2.173 10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.402 -3.920 12.091 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.149 -4.496 12.668 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.716 -2.315 13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.333 -1.570 12.791 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.478 -1.852 14.952 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.071 -3.311 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.041 -3.796 16.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.848 -4.517 15.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.424 -3.103 15.797 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.330 -3.216 7.727 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.448 -2.429 6.505 1.00 0.00 C ATOM 1388 C VAL A 95 -1.229 -1.144 6.752 1.00 0.00 C ATOM 1389 O VAL A 95 -2.347 -1.174 7.267 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.139 -3.230 5.386 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.136 -2.442 4.085 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.463 -4.581 5.202 1.00 0.00 C ATOM 0 H VAL A 95 -1.141 -3.799 7.932 1.00 0.00 H new ATOM 0 HA VAL A 95 0.565 -2.180 6.190 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.175 -3.404 5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.628 -3.024 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.669 -1.502 4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.108 -2.234 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.964 -5.133 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.583 -4.431 4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.523 -5.147 6.131 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.634 -0.016 6.382 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.275 1.282 6.561 1.00 0.00 C ATOM 1404 C ASP A 96 -1.065 2.166 5.336 1.00 0.00 C ATOM 1405 O ASP A 96 -0.002 2.141 4.714 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.725 1.978 7.808 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.242 3.395 7.954 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.474 3.589 7.880 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -0.415 4.311 8.145 1.00 0.00 O ATOM 0 H ASP A 96 0.292 0.026 5.956 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.345 1.117 6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.997 1.402 8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.364 1.994 7.761 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.085 2.945 4.994 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.014 3.837 3.841 1.00 0.00 C ATOM 1416 C LEU A 97 -0.912 4.876 4.024 1.00 0.00 C ATOM 1417 O LEU A 97 -1.098 5.878 4.714 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.358 4.535 3.627 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.535 5.256 2.291 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.226 5.893 1.851 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.045 4.293 1.229 1.00 0.00 C ATOM 0 H LEU A 97 -2.971 2.977 5.498 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.780 3.236 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.150 3.792 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.500 5.259 4.429 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.274 6.046 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.371 6.402 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.902 6.614 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.465 5.120 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.165 4.823 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.330 3.481 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.006 3.884 1.540 1.00 0.00 H new ATOM 1433 N ALA A 98 0.236 4.630 3.400 1.00 0.00 N ATOM 1434 CA ALA A 98 1.366 5.546 3.491 1.00 0.00 C ATOM 1435 C ALA A 98 1.279 6.632 2.424 1.00 0.00 C ATOM 1436 O ALA A 98 0.302 6.707 1.678 1.00 0.00 O ATOM 1437 CB ALA A 98 2.676 4.782 3.364 1.00 0.00 C ATOM 0 H ALA A 98 0.407 3.804 2.826 1.00 0.00 H new ATOM 0 HA ALA A 98 1.333 6.029 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.512 5.478 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.748 4.047 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.708 4.272 2.401 1.00 0.00 H new ATOM 1443 N VAL A 99 2.307 7.472 2.356 1.00 0.00 N ATOM 1444 CA VAL A 99 2.347 8.554 1.380 1.00 0.00 C ATOM 1445 C VAL A 99 3.772 8.811 0.903 1.00 0.00 C ATOM 1446 O VAL A 99 4.720 8.762 1.687 1.00 0.00 O ATOM 1447 CB VAL A 99 1.769 9.857 1.962 1.00 0.00 C ATOM 1448 CG1 VAL A 99 2.579 10.309 3.168 1.00 0.00 C ATOM 1449 CG2 VAL A 99 1.730 10.944 0.899 1.00 0.00 C ATOM 0 H VAL A 99 3.123 7.424 2.966 1.00 0.00 H new ATOM 0 HA VAL A 99 1.735 8.240 0.534 1.00 0.00 H new ATOM 0 HB VAL A 99 0.748 9.665 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.156 11.231 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.551 9.536 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.612 10.484 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.319 11.858 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.740 11.136 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.103 10.619 0.069 1.00 0.00 H new