USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0238) USER MOD Set 1.2: A 63 GLN : amide:sc= -2.49! K(o=-2.5!,f=-3.2) 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= -0.0354 X(o=-0.035,f=-0.11) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 27 SER OG : rot 170:sc= -0.133 USER MOD Single : A 37 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.5!) USER MOD Single : A 38 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.13) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 138:sc= -0.904 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.71 F(o=-7.8!,f=-1.7) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -7:sc= -2.41 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= -0.954 K(o=-0.95,f=-6.7!) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= -0.0223 (180deg=-0.219) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.461 7.830 -5.769 1.00 0.00 N ATOM 168 CA GLY A 15 -3.446 8.021 -4.331 1.00 0.00 C ATOM 169 C GLY A 15 -3.639 6.724 -3.571 1.00 0.00 C ATOM 170 O GLY A 15 -4.476 6.640 -2.672 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.498 8.473 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.233 8.722 -4.053 1.00 0.00 H new ATOM 174 N LYS A 16 -2.864 5.707 -3.933 1.00 0.00 N ATOM 175 CA LYS A 16 -2.953 4.406 -3.281 1.00 0.00 C ATOM 176 C LYS A 16 -1.584 3.951 -2.785 1.00 0.00 C ATOM 177 O LYS A 16 -0.656 3.770 -3.573 1.00 0.00 O ATOM 178 CB LYS A 16 -3.530 3.367 -4.245 1.00 0.00 C ATOM 179 CG LYS A 16 -4.498 3.950 -5.259 1.00 0.00 C ATOM 180 CD LYS A 16 -4.594 3.081 -6.503 1.00 0.00 C ATOM 181 CE LYS A 16 -5.118 3.868 -7.694 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.019 4.531 -8.448 1.00 0.00 N ATOM 0 H LYS A 16 -2.166 5.759 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.617 4.503 -2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.711 2.881 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.041 2.594 -3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.485 4.049 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.174 4.952 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.611 2.673 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.252 2.235 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.663 3.199 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.827 4.621 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.418 5.057 -9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.515 5.189 -7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.356 3.811 -8.800 1.00 0.00 H new ATOM 196 N THR A 17 -1.466 3.766 -1.474 1.00 0.00 N ATOM 197 CA THR A 17 -0.211 3.332 -0.873 1.00 0.00 C ATOM 198 C THR A 17 -0.455 2.314 0.234 1.00 0.00 C ATOM 199 O THR A 17 -1.561 2.212 0.766 1.00 0.00 O ATOM 200 CB THR A 17 0.577 4.523 -0.296 1.00 0.00 C ATOM 201 OG1 THR A 17 0.986 5.399 -1.352 1.00 0.00 O ATOM 202 CG2 THR A 17 1.799 4.042 0.472 1.00 0.00 C ATOM 0 H THR A 17 -2.225 3.910 -0.808 1.00 0.00 H new ATOM 0 HA THR A 17 0.376 2.868 -1.666 1.00 0.00 H new ATOM 0 HB THR A 17 -0.075 5.063 0.390 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.485 6.154 -0.976 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.340 4.901 0.870 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.483 3.400 1.294 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.451 3.481 -0.197 1.00 0.00 H new ATOM 210 N VAL A 18 0.585 1.561 0.579 1.00 0.00 N ATOM 211 CA VAL A 18 0.484 0.550 1.625 1.00 0.00 C ATOM 212 C VAL A 18 1.843 0.281 2.262 1.00 0.00 C ATOM 213 O VAL A 18 2.779 -0.154 1.592 1.00 0.00 O ATOM 214 CB VAL A 18 -0.084 -0.772 1.076 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.355 -0.517 0.280 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.955 -1.485 0.225 1.00 0.00 C ATOM 0 H VAL A 18 1.507 1.632 0.149 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.197 0.943 2.380 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.335 -1.418 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.742 -1.462 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.101 -0.052 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.134 0.147 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.537 -2.417 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.240 -0.847 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.835 -1.702 0.831 1.00 0.00 H new ATOM 226 N PHE A 19 1.944 0.542 3.561 1.00 0.00 N ATOM 227 CA PHE A 19 3.189 0.328 4.290 1.00 0.00 C ATOM 228 C PHE A 19 3.040 -0.805 5.300 1.00 0.00 C ATOM 229 O PHE A 19 2.182 -0.756 6.182 1.00 0.00 O ATOM 230 CB PHE A 19 3.612 1.613 5.005 1.00 0.00 C ATOM 231 CG PHE A 19 4.814 1.438 5.889 1.00 0.00 C ATOM 232 CD1 PHE A 19 6.042 1.089 5.350 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.716 1.621 7.259 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.150 0.928 6.160 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.821 1.462 8.074 1.00 0.00 C ATOM 236 CZ PHE A 19 7.039 1.113 7.524 1.00 0.00 C ATOM 0 H PHE A 19 1.178 0.902 4.131 1.00 0.00 H new ATOM 0 HA PHE A 19 3.960 0.050 3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.827 2.380 4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.778 1.976 5.606 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.134 0.941 4.284 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.765 1.891 7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.102 0.658 5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.732 1.611 9.140 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.903 0.985 8.159 1.00 0.00 H new ATOM 246 N ILE A 20 3.880 -1.825 5.164 1.00 0.00 N ATOM 247 CA ILE A 20 3.843 -2.970 6.065 1.00 0.00 C ATOM 248 C ILE A 20 4.861 -2.818 7.190 1.00 0.00 C ATOM 249 O ILE A 20 5.989 -2.381 6.965 1.00 0.00 O ATOM 250 CB ILE A 20 4.118 -4.287 5.314 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.325 -4.328 4.006 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.766 -5.480 6.190 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.072 -3.743 2.828 1.00 0.00 C ATOM 0 H ILE A 20 4.595 -1.882 4.438 1.00 0.00 H new ATOM 0 HA ILE A 20 2.839 -3.005 6.489 1.00 0.00 H new ATOM 0 HB ILE A 20 5.180 -4.337 5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.062 -5.362 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.390 -3.783 4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.966 -6.403 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.370 -5.456 7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.710 -5.437 6.456 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.450 -3.805 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.312 -2.699 3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.994 -4.302 2.668 1.00 0.00 H new ATOM 265 N ARG A 21 4.455 -3.184 8.402 1.00 0.00 N ATOM 266 CA ARG A 21 5.332 -3.089 9.562 1.00 0.00 C ATOM 267 C ARG A 21 5.510 -4.454 10.222 1.00 0.00 C ATOM 268 O ARG A 21 4.691 -5.353 10.041 1.00 0.00 O ATOM 269 CB ARG A 21 4.766 -2.091 10.575 1.00 0.00 C ATOM 270 CG ARG A 21 5.249 -0.666 10.359 1.00 0.00 C ATOM 271 CD ARG A 21 5.104 0.168 11.623 1.00 0.00 C ATOM 272 NE ARG A 21 6.169 -0.106 12.584 1.00 0.00 N ATOM 273 CZ ARG A 21 6.164 0.344 13.834 1.00 0.00 C ATOM 274 NH1 ARG A 21 5.156 1.085 14.271 1.00 0.00 N ATOM 275 NH2 ARG A 21 7.169 0.052 14.649 1.00 0.00 N ATOM 0 H ARG A 21 3.524 -3.549 8.605 1.00 0.00 H new ATOM 0 HA ARG A 21 6.307 -2.739 9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.677 -2.109 10.521 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.041 -2.411 11.580 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.293 -0.678 10.047 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.680 -0.206 9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.114 1.226 11.362 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.138 -0.037 12.084 1.00 0.00 H new ATOM 0 HE ARG A 21 6.960 -0.674 12.279 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.381 1.311 13.647 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.155 1.429 15.231 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.946 -0.518 14.316 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.164 0.398 15.609 1.00 0.00 H new ATOM 289 N ASN A 22 6.587 -4.599 10.987 1.00 0.00 N ATOM 290 CA ASN A 22 6.873 -5.854 11.673 1.00 0.00 C ATOM 291 C ASN A 22 7.189 -6.961 10.672 1.00 0.00 C ATOM 292 O ASN A 22 6.802 -8.115 10.863 1.00 0.00 O ATOM 293 CB ASN A 22 5.687 -6.264 12.547 1.00 0.00 C ATOM 294 CG ASN A 22 6.088 -7.214 13.659 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.989 -6.921 14.446 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.420 -8.359 13.729 1.00 0.00 N ATOM 0 H ASN A 22 7.276 -3.864 11.147 1.00 0.00 H new ATOM 0 HA ASN A 22 7.746 -5.702 12.307 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.234 -5.373 12.981 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.927 -6.737 11.925 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.646 -9.038 14.456 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.681 -8.560 13.056 1.00 0.00 H new ATOM 303 N LEU A 23 7.895 -6.603 9.605 1.00 0.00 N ATOM 304 CA LEU A 23 8.264 -7.566 8.574 1.00 0.00 C ATOM 305 C LEU A 23 9.312 -8.546 9.093 1.00 0.00 C ATOM 306 O LEU A 23 10.136 -8.198 9.939 1.00 0.00 O ATOM 307 CB LEU A 23 8.798 -6.839 7.338 1.00 0.00 C ATOM 308 CG LEU A 23 7.745 -6.319 6.358 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.405 -5.547 5.226 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.914 -7.469 5.809 1.00 0.00 C ATOM 0 H LEU A 23 8.223 -5.653 9.431 1.00 0.00 H new ATOM 0 HA LEU A 23 7.371 -8.129 8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.404 -5.996 7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.462 -7.517 6.801 1.00 0.00 H new ATOM 0 HG LEU A 23 7.081 -5.641 6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.641 -5.185 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.955 -4.700 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.093 -6.202 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.170 -7.081 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.565 -8.172 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.411 -7.979 6.631 1.00 0.00 H new ATOM 322 N SER A 24 9.274 -9.771 8.580 1.00 0.00 N ATOM 323 CA SER A 24 10.219 -10.802 8.993 1.00 0.00 C ATOM 324 C SER A 24 11.429 -10.833 8.065 1.00 0.00 C ATOM 325 O SER A 24 11.296 -10.712 6.847 1.00 0.00 O ATOM 326 CB SER A 24 9.537 -12.172 9.006 1.00 0.00 C ATOM 327 OG SER A 24 10.116 -13.020 9.983 1.00 0.00 O ATOM 0 H SER A 24 8.599 -10.074 7.878 1.00 0.00 H new ATOM 0 HA SER A 24 10.561 -10.564 10.000 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.473 -12.050 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.622 -12.634 8.022 1.00 0.00 H new ATOM 0 HG SER A 24 9.662 -13.888 9.973 1.00 0.00 H new ATOM 333 N PHE A 25 12.611 -10.995 8.650 1.00 0.00 N ATOM 334 CA PHE A 25 13.847 -11.041 7.878 1.00 0.00 C ATOM 335 C PHE A 25 13.756 -12.082 6.766 1.00 0.00 C ATOM 336 O PHE A 25 14.475 -12.007 5.770 1.00 0.00 O ATOM 337 CB PHE A 25 15.033 -11.356 8.792 1.00 0.00 C ATOM 338 CG PHE A 25 15.374 -10.241 9.738 1.00 0.00 C ATOM 339 CD1 PHE A 25 16.143 -9.168 9.317 1.00 0.00 C ATOM 340 CD2 PHE A 25 14.926 -10.266 11.049 1.00 0.00 C ATOM 341 CE1 PHE A 25 16.459 -8.141 10.186 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.238 -9.241 11.923 1.00 0.00 C ATOM 343 CZ PHE A 25 16.005 -8.177 11.490 1.00 0.00 C ATOM 0 H PHE A 25 12.739 -11.097 9.657 1.00 0.00 H new ATOM 0 HA PHE A 25 13.998 -10.062 7.423 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.809 -12.254 9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.905 -11.580 8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.499 -9.134 8.298 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.326 -11.096 11.392 1.00 0.00 H new ATOM 0 HE1 PHE A 25 17.060 -7.311 9.846 1.00 0.00 H new ATOM 0 HE2 PHE A 25 14.883 -9.272 12.942 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.249 -7.374 12.170 1.00 0.00 H new ATOM 353 N ASP A 26 12.867 -13.053 6.945 1.00 0.00 N ATOM 354 CA ASP A 26 12.680 -14.110 5.958 1.00 0.00 C ATOM 355 C ASP A 26 11.893 -13.598 4.756 1.00 0.00 C ATOM 356 O ASP A 26 12.149 -13.995 3.619 1.00 0.00 O ATOM 357 CB ASP A 26 11.957 -15.302 6.587 1.00 0.00 C ATOM 358 CG ASP A 26 12.696 -15.860 7.788 1.00 0.00 C ATOM 359 OD1 ASP A 26 13.944 -15.820 7.787 1.00 0.00 O ATOM 360 OD2 ASP A 26 12.026 -16.337 8.728 1.00 0.00 O ATOM 0 H ASP A 26 12.265 -13.130 7.764 1.00 0.00 H new ATOM 0 HA ASP A 26 13.663 -14.431 5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.955 -14.997 6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.839 -16.087 5.840 1.00 0.00 H new ATOM 365 N SER A 27 10.934 -12.715 5.016 1.00 0.00 N ATOM 366 CA SER A 27 10.105 -12.152 3.956 1.00 0.00 C ATOM 367 C SER A 27 10.969 -11.630 2.812 1.00 0.00 C ATOM 368 O SER A 27 12.168 -11.409 2.976 1.00 0.00 O ATOM 369 CB SER A 27 9.232 -11.024 4.507 1.00 0.00 C ATOM 370 OG SER A 27 8.429 -10.456 3.487 1.00 0.00 O ATOM 0 H SER A 27 10.712 -12.374 5.951 1.00 0.00 H new ATOM 0 HA SER A 27 9.462 -12.944 3.571 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.595 -11.409 5.304 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.864 -10.253 4.948 1.00 0.00 H new ATOM 0 HG SER A 27 7.769 -9.853 3.888 1.00 0.00 H new ATOM 376 N GLU A 28 10.348 -11.434 1.652 1.00 0.00 N ATOM 377 CA GLU A 28 11.060 -10.938 0.480 1.00 0.00 C ATOM 378 C GLU A 28 10.117 -10.173 -0.445 1.00 0.00 C ATOM 379 O GLU A 28 8.950 -10.534 -0.594 1.00 0.00 O ATOM 380 CB GLU A 28 11.708 -12.098 -0.279 1.00 0.00 C ATOM 381 CG GLU A 28 12.530 -13.020 0.606 1.00 0.00 C ATOM 382 CD GLU A 28 13.397 -13.974 -0.193 1.00 0.00 C ATOM 383 OE1 GLU A 28 14.237 -13.494 -0.982 1.00 0.00 O ATOM 384 OE2 GLU A 28 13.234 -15.202 -0.028 1.00 0.00 O ATOM 0 H GLU A 28 9.355 -11.611 1.499 1.00 0.00 H new ATOM 0 HA GLU A 28 11.839 -10.256 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.929 -12.680 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.348 -11.695 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.163 -12.421 1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.861 -13.593 1.248 1.00 0.00 H new ATOM 391 N GLU A 29 10.633 -9.116 -1.063 1.00 0.00 N ATOM 392 CA GLU A 29 9.838 -8.300 -1.973 1.00 0.00 C ATOM 393 C GLU A 29 8.911 -9.171 -2.816 1.00 0.00 C ATOM 394 O GLU A 29 7.758 -8.816 -3.057 1.00 0.00 O ATOM 395 CB GLU A 29 10.749 -7.475 -2.884 1.00 0.00 C ATOM 396 CG GLU A 29 10.116 -6.182 -3.369 1.00 0.00 C ATOM 397 CD GLU A 29 11.082 -5.320 -4.159 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.800 -4.510 -3.537 1.00 0.00 O ATOM 399 OE2 GLU A 29 11.119 -5.456 -5.400 1.00 0.00 O ATOM 0 H GLU A 29 11.598 -8.804 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 29 9.228 -7.624 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.669 -7.241 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.028 -8.079 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.252 -6.416 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.749 -5.618 -2.512 1.00 0.00 H new ATOM 406 N GLU A 30 9.426 -10.313 -3.262 1.00 0.00 N ATOM 407 CA GLU A 30 8.645 -11.234 -4.080 1.00 0.00 C ATOM 408 C GLU A 30 7.437 -11.757 -3.307 1.00 0.00 C ATOM 409 O GLU A 30 6.295 -11.590 -3.733 1.00 0.00 O ATOM 410 CB GLU A 30 9.515 -12.404 -4.542 1.00 0.00 C ATOM 411 CG GLU A 30 10.984 -12.046 -4.698 1.00 0.00 C ATOM 412 CD GLU A 30 11.741 -13.048 -5.547 1.00 0.00 C ATOM 413 OE1 GLU A 30 12.218 -14.059 -4.990 1.00 0.00 O ATOM 414 OE2 GLU A 30 11.857 -12.821 -6.770 1.00 0.00 O ATOM 0 H GLU A 30 10.379 -10.622 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 30 8.287 -10.690 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.423 -13.220 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.136 -12.773 -5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.067 -11.057 -5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.446 -11.987 -3.713 1.00 0.00 H new ATOM 421 N ALA A 31 7.700 -12.392 -2.170 1.00 0.00 N ATOM 422 CA ALA A 31 6.636 -12.939 -1.337 1.00 0.00 C ATOM 423 C ALA A 31 5.699 -11.839 -0.851 1.00 0.00 C ATOM 424 O ALA A 31 4.491 -11.889 -1.088 1.00 0.00 O ATOM 425 CB ALA A 31 7.227 -13.693 -0.155 1.00 0.00 C ATOM 0 H ALA A 31 8.641 -12.540 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 31 6.054 -13.634 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.422 -14.096 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.850 -14.510 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.834 -13.013 0.443 1.00 0.00 H new ATOM 431 N LEU A 32 6.262 -10.847 -0.170 1.00 0.00 N ATOM 432 CA LEU A 32 5.476 -9.734 0.351 1.00 0.00 C ATOM 433 C LEU A 32 4.400 -9.314 -0.645 1.00 0.00 C ATOM 434 O LEU A 32 3.209 -9.338 -0.335 1.00 0.00 O ATOM 435 CB LEU A 32 6.386 -8.546 0.668 1.00 0.00 C ATOM 436 CG LEU A 32 5.705 -7.327 1.293 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.737 -6.279 1.679 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.678 -6.740 0.335 1.00 0.00 C ATOM 0 H LEU A 32 7.260 -10.791 0.034 1.00 0.00 H new ATOM 0 HA LEU A 32 4.987 -10.064 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.171 -8.885 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.874 -8.231 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 32 5.187 -7.648 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.234 -5.419 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.434 -6.704 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.283 -5.962 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.204 -5.874 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.173 -6.435 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.921 -7.491 0.109 1.00 0.00 H new ATOM 450 N GLY A 33 4.828 -8.932 -1.845 1.00 0.00 N ATOM 451 CA GLY A 33 3.888 -8.515 -2.869 1.00 0.00 C ATOM 452 C GLY A 33 2.856 -9.580 -3.178 1.00 0.00 C ATOM 453 O GLY A 33 1.659 -9.297 -3.231 1.00 0.00 O ATOM 0 H GLY A 33 5.808 -8.904 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.381 -7.606 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.434 -8.268 -3.779 1.00 0.00 H new ATOM 457 N GLU A 34 3.319 -10.809 -3.383 1.00 0.00 N ATOM 458 CA GLU A 34 2.426 -11.920 -3.691 1.00 0.00 C ATOM 459 C GLU A 34 1.326 -12.041 -2.640 1.00 0.00 C ATOM 460 O GLU A 34 0.289 -12.660 -2.879 1.00 0.00 O ATOM 461 CB GLU A 34 3.214 -13.229 -3.774 1.00 0.00 C ATOM 462 CG GLU A 34 3.842 -13.477 -5.135 1.00 0.00 C ATOM 463 CD GLU A 34 2.925 -14.243 -6.069 1.00 0.00 C ATOM 464 OE1 GLU A 34 1.782 -13.788 -6.282 1.00 0.00 O ATOM 465 OE2 GLU A 34 3.351 -15.297 -6.587 1.00 0.00 O ATOM 0 H GLU A 34 4.307 -11.060 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 34 1.961 -11.722 -4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.999 -13.219 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.550 -14.059 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.103 -12.522 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.771 -14.033 -5.007 1.00 0.00 H new ATOM 472 N VAL A 35 1.561 -11.446 -1.475 1.00 0.00 N ATOM 473 CA VAL A 35 0.591 -11.486 -0.387 1.00 0.00 C ATOM 474 C VAL A 35 -0.413 -10.345 -0.504 1.00 0.00 C ATOM 475 O VAL A 35 -1.579 -10.489 -0.132 1.00 0.00 O ATOM 476 CB VAL A 35 1.284 -11.407 0.986 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.258 -11.470 2.107 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.311 -12.520 1.129 1.00 0.00 C ATOM 0 H VAL A 35 2.415 -10.931 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 35 0.066 -12.438 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 35 1.805 -10.452 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.767 -11.413 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.436 -10.634 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.293 -12.408 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.791 -12.449 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.815 -13.486 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.064 -12.423 0.347 1.00 0.00 H new ATOM 488 N LEU A 36 0.046 -9.211 -1.023 1.00 0.00 N ATOM 489 CA LEU A 36 -0.813 -8.044 -1.189 1.00 0.00 C ATOM 490 C LEU A 36 -1.522 -8.078 -2.540 1.00 0.00 C ATOM 491 O LEU A 36 -2.530 -7.401 -2.738 1.00 0.00 O ATOM 492 CB LEU A 36 0.009 -6.760 -1.064 1.00 0.00 C ATOM 493 CG LEU A 36 0.871 -6.634 0.193 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.836 -5.466 0.064 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.006 -6.471 1.426 1.00 0.00 C ATOM 0 H LEU A 36 1.007 -9.075 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.568 -8.063 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.659 -6.682 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.673 -5.911 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 36 1.454 -7.548 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.441 -5.392 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.487 -5.625 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.273 -4.542 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.624 -6.383 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.615 -5.573 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.656 -7.340 1.528 1.00 0.00 H new ATOM 507 N GLN A 37 -0.988 -8.871 -3.463 1.00 0.00 N ATOM 508 CA GLN A 37 -1.571 -8.994 -4.793 1.00 0.00 C ATOM 509 C GLN A 37 -2.931 -9.682 -4.730 1.00 0.00 C ATOM 510 O GLN A 37 -3.797 -9.443 -5.572 1.00 0.00 O ATOM 511 CB GLN A 37 -0.633 -9.776 -5.714 1.00 0.00 C ATOM 512 CG GLN A 37 0.561 -8.967 -6.195 1.00 0.00 C ATOM 513 CD GLN A 37 1.072 -9.428 -7.546 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.303 -9.893 -8.388 1.00 0.00 O ATOM 515 NE2 GLN A 37 2.377 -9.302 -7.760 1.00 0.00 N ATOM 0 H GLN A 37 -0.153 -9.438 -3.314 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.710 -7.990 -5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.274 -10.660 -5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.196 -10.127 -6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.282 -7.915 -6.256 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.364 -9.041 -5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.977 -8.911 -7.034 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.779 -9.596 -8.650 1.00 0.00 H new ATOM 524 N GLN A 38 -3.110 -10.537 -3.729 1.00 0.00 N ATOM 525 CA GLN A 38 -4.365 -11.260 -3.558 1.00 0.00 C ATOM 526 C GLN A 38 -5.555 -10.308 -3.618 1.00 0.00 C ATOM 527 O GLN A 38 -6.564 -10.599 -4.260 1.00 0.00 O ATOM 528 CB GLN A 38 -4.366 -12.014 -2.226 1.00 0.00 C ATOM 529 CG GLN A 38 -4.607 -11.119 -1.021 1.00 0.00 C ATOM 530 CD GLN A 38 -4.543 -11.876 0.290 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.455 -11.793 1.114 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.463 -12.622 0.492 1.00 0.00 N ATOM 0 H GLN A 38 -2.403 -10.746 -3.024 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.456 -11.977 -4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.136 -12.785 -2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.410 -12.523 -2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.865 -10.321 -1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.584 -10.645 -1.115 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.731 -12.662 -0.217 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.365 -13.155 1.356 1.00 0.00 H new ATOM 541 N PHE A 39 -5.430 -9.169 -2.944 1.00 0.00 N ATOM 542 CA PHE A 39 -6.495 -8.175 -2.920 1.00 0.00 C ATOM 543 C PHE A 39 -6.658 -7.518 -4.288 1.00 0.00 C ATOM 544 O PHE A 39 -7.766 -7.422 -4.815 1.00 0.00 O ATOM 545 CB PHE A 39 -6.203 -7.108 -1.862 1.00 0.00 C ATOM 546 CG PHE A 39 -6.071 -7.663 -0.473 1.00 0.00 C ATOM 547 CD1 PHE A 39 -4.852 -8.137 -0.015 1.00 0.00 C ATOM 548 CD2 PHE A 39 -7.165 -7.711 0.376 1.00 0.00 C ATOM 549 CE1 PHE A 39 -4.728 -8.649 1.263 1.00 0.00 C ATOM 550 CE2 PHE A 39 -7.047 -8.221 1.655 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.826 -8.690 2.099 1.00 0.00 C ATOM 0 H PHE A 39 -4.601 -8.912 -2.407 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.425 -8.683 -2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.282 -6.588 -2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.002 -6.367 -1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.989 -8.106 -0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.122 -7.345 0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.773 -9.017 1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.908 -8.253 2.306 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.730 -9.088 3.098 1.00 0.00 H new ATOM 561 N GLY A 40 -5.545 -7.068 -4.858 1.00 0.00 N ATOM 562 CA GLY A 40 -5.584 -6.425 -6.159 1.00 0.00 C ATOM 563 C GLY A 40 -4.216 -6.338 -6.804 1.00 0.00 C ATOM 564 O GLY A 40 -3.222 -6.783 -6.230 1.00 0.00 O ATOM 0 H GLY A 40 -4.616 -7.137 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.257 -6.978 -6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.997 -5.422 -6.053 1.00 0.00 H new ATOM 568 N ASP A 41 -4.164 -5.766 -8.002 1.00 0.00 N ATOM 569 CA ASP A 41 -2.907 -5.622 -8.727 1.00 0.00 C ATOM 570 C ASP A 41 -2.005 -4.593 -8.052 1.00 0.00 C ATOM 571 O ASP A 41 -2.421 -3.464 -7.790 1.00 0.00 O ATOM 572 CB ASP A 41 -3.173 -5.213 -10.176 1.00 0.00 C ATOM 573 CG ASP A 41 -4.138 -6.150 -10.875 1.00 0.00 C ATOM 574 OD1 ASP A 41 -4.003 -7.379 -10.699 1.00 0.00 O ATOM 575 OD2 ASP A 41 -5.029 -5.656 -11.597 1.00 0.00 O ATOM 0 H ASP A 41 -4.978 -5.394 -8.492 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.398 -6.586 -8.718 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.576 -4.200 -10.196 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.231 -5.192 -10.723 1.00 0.00 H new ATOM 580 N LEU A 42 -0.768 -4.991 -7.773 1.00 0.00 N ATOM 581 CA LEU A 42 0.193 -4.103 -7.128 1.00 0.00 C ATOM 582 C LEU A 42 0.986 -3.314 -8.164 1.00 0.00 C ATOM 583 O LEU A 42 1.687 -3.889 -8.997 1.00 0.00 O ATOM 584 CB LEU A 42 1.147 -4.909 -6.245 1.00 0.00 C ATOM 585 CG LEU A 42 0.595 -5.350 -4.889 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.352 -6.565 -4.374 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.669 -4.209 -3.886 1.00 0.00 C ATOM 0 H LEU A 42 -0.408 -5.922 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.360 -3.398 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.456 -5.798 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.043 -4.312 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.451 -5.627 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.945 -6.865 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.247 -7.387 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.407 -6.316 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.272 -4.541 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.707 -3.901 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.081 -3.366 -4.250 1.00 0.00 H new ATOM 599 N LYS A 43 0.872 -1.991 -8.107 1.00 0.00 N ATOM 600 CA LYS A 43 1.581 -1.120 -9.037 1.00 0.00 C ATOM 601 C LYS A 43 3.090 -1.294 -8.903 1.00 0.00 C ATOM 602 O LYS A 43 3.802 -1.415 -9.900 1.00 0.00 O ATOM 603 CB LYS A 43 1.200 0.341 -8.791 1.00 0.00 C ATOM 604 CG LYS A 43 2.005 1.327 -9.620 1.00 0.00 C ATOM 605 CD LYS A 43 1.381 1.544 -10.989 1.00 0.00 C ATOM 606 CE LYS A 43 2.005 2.732 -11.704 1.00 0.00 C ATOM 607 NZ LYS A 43 1.521 4.028 -11.153 1.00 0.00 N ATOM 0 H LYS A 43 0.295 -1.498 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 43 1.290 -1.398 -10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.141 0.474 -9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.337 0.571 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.070 2.279 -9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.024 0.958 -9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.508 0.646 -11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.309 1.706 -10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.090 2.681 -11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.771 2.680 -12.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.861 4.808 -11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.481 4.032 -11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.882 4.150 -10.185 1.00 0.00 H new ATOM 621 N TYR A 44 3.571 -1.306 -7.665 1.00 0.00 N ATOM 622 CA TYR A 44 4.997 -1.463 -7.400 1.00 0.00 C ATOM 623 C TYR A 44 5.240 -1.860 -5.947 1.00 0.00 C ATOM 624 O TYR A 44 4.646 -1.294 -5.029 1.00 0.00 O ATOM 625 CB TYR A 44 5.742 -0.166 -7.719 1.00 0.00 C ATOM 626 CG TYR A 44 5.871 0.765 -6.534 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.680 0.437 -5.453 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.183 1.971 -6.496 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.800 1.284 -4.368 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.298 2.825 -5.416 1.00 0.00 C ATOM 631 CZ TYR A 44 6.107 2.477 -4.355 1.00 0.00 C ATOM 632 OH TYR A 44 6.224 3.325 -3.277 1.00 0.00 O ATOM 0 H TYR A 44 2.995 -1.209 -6.829 1.00 0.00 H new ATOM 0 HA TYR A 44 5.375 -2.258 -8.043 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.738 -0.410 -8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.222 0.354 -8.524 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.224 -0.496 -5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.547 2.246 -7.325 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.432 1.014 -3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.757 3.760 -5.403 1.00 0.00 H new ATOM 0 HH TYR A 44 5.673 4.122 -3.426 1.00 0.00 H new ATOM 642 N VAL A 45 6.120 -2.836 -5.747 1.00 0.00 N ATOM 643 CA VAL A 45 6.445 -3.308 -4.406 1.00 0.00 C ATOM 644 C VAL A 45 7.932 -3.140 -4.110 1.00 0.00 C ATOM 645 O VAL A 45 8.774 -3.807 -4.711 1.00 0.00 O ATOM 646 CB VAL A 45 6.061 -4.788 -4.224 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.407 -5.588 -5.471 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.751 -5.371 -2.999 1.00 0.00 C ATOM 0 H VAL A 45 6.620 -3.315 -6.496 1.00 0.00 H new ATOM 0 HA VAL A 45 5.867 -2.702 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 45 4.984 -4.849 -4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.128 -6.631 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.863 -5.185 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.478 -5.522 -5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.468 -6.418 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.832 -5.298 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.448 -4.815 -2.112 1.00 0.00 H new ATOM 658 N ARG A 46 8.246 -2.245 -3.179 1.00 0.00 N ATOM 659 CA ARG A 46 9.631 -1.989 -2.803 1.00 0.00 C ATOM 660 C ARG A 46 9.826 -2.156 -1.299 1.00 0.00 C ATOM 661 O ARG A 46 9.026 -1.669 -0.501 1.00 0.00 O ATOM 662 CB ARG A 46 10.044 -0.578 -3.228 1.00 0.00 C ATOM 663 CG ARG A 46 11.548 -0.394 -3.348 1.00 0.00 C ATOM 664 CD ARG A 46 11.945 1.066 -3.194 1.00 0.00 C ATOM 665 NE ARG A 46 11.859 1.793 -4.457 1.00 0.00 N ATOM 666 CZ ARG A 46 12.316 3.028 -4.627 1.00 0.00 C ATOM 667 NH1 ARG A 46 12.889 3.671 -3.619 1.00 0.00 N ATOM 668 NH2 ARG A 46 12.201 3.624 -5.807 1.00 0.00 N ATOM 0 H ARG A 46 7.560 -1.685 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 46 10.261 -2.715 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.580 -0.346 -4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.655 0.139 -2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.050 -0.991 -2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.885 -0.763 -4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.298 1.542 -2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.963 1.126 -2.810 1.00 0.00 H new ATOM 0 HE ARG A 46 11.424 1.326 -5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.980 3.217 -2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.239 4.620 -3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.761 3.133 -6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.553 4.573 -5.936 1.00 0.00 H new ATOM 682 N VAL A 47 10.896 -2.849 -0.920 1.00 0.00 N ATOM 683 CA VAL A 47 11.197 -3.081 0.488 1.00 0.00 C ATOM 684 C VAL A 47 12.532 -2.456 0.874 1.00 0.00 C ATOM 685 O VAL A 47 13.557 -2.716 0.244 1.00 0.00 O ATOM 686 CB VAL A 47 11.233 -4.586 0.813 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.168 -5.316 -0.139 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.651 -4.808 2.259 1.00 0.00 C ATOM 0 H VAL A 47 11.568 -3.259 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 47 10.400 -2.612 1.064 1.00 0.00 H new ATOM 0 HB VAL A 47 10.230 -4.993 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.180 -6.378 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.820 -5.184 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.175 -4.910 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.671 -5.877 2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.644 -4.387 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.938 -4.319 2.923 1.00 0.00 H new ATOM 698 N VAL A 48 12.514 -1.630 1.915 1.00 0.00 N ATOM 699 CA VAL A 48 13.724 -0.969 2.388 1.00 0.00 C ATOM 700 C VAL A 48 14.708 -1.976 2.972 1.00 0.00 C ATOM 701 O VAL A 48 14.404 -2.664 3.947 1.00 0.00 O ATOM 702 CB VAL A 48 13.402 0.096 3.454 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.777 -0.550 4.681 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.656 0.870 3.829 1.00 0.00 C ATOM 0 H VAL A 48 11.674 -1.403 2.447 1.00 0.00 H new ATOM 0 HA VAL A 48 14.177 -0.482 1.524 1.00 0.00 H new ATOM 0 HB VAL A 48 12.681 0.798 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.556 0.217 5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.854 -1.055 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.472 -1.275 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.410 1.618 4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.402 0.183 4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.056 1.365 2.944 1.00 0.00 H new ATOM 857 N GLY A 58 12.784 -4.143 8.406 1.00 0.00 N ATOM 858 CA GLY A 58 11.668 -4.485 9.269 1.00 0.00 C ATOM 859 C GLY A 58 10.344 -3.981 8.731 1.00 0.00 C ATOM 860 O GLY A 58 9.301 -4.161 9.362 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.621 -5.568 9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.837 -4.065 10.261 1.00 0.00 H new ATOM 864 N CYS A 59 10.383 -3.347 7.565 1.00 0.00 N ATOM 865 CA CYS A 59 9.177 -2.812 6.944 1.00 0.00 C ATOM 866 C CYS A 59 9.362 -2.661 5.437 1.00 0.00 C ATOM 867 O CYS A 59 10.480 -2.732 4.929 1.00 0.00 O ATOM 868 CB CYS A 59 8.815 -1.461 7.563 1.00 0.00 C ATOM 869 SG CYS A 59 10.072 -0.182 7.332 1.00 0.00 S ATOM 0 H CYS A 59 11.237 -3.191 7.030 1.00 0.00 H new ATOM 0 HA CYS A 59 8.364 -3.515 7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.876 -1.115 7.130 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.643 -1.597 8.631 1.00 0.00 H new ATOM 0 HG CYS A 59 9.496 0.942 7.025 1.00 0.00 H new ATOM 875 N ALA A 60 8.257 -2.454 4.729 1.00 0.00 N ATOM 876 CA ALA A 60 8.297 -2.293 3.280 1.00 0.00 C ATOM 877 C ALA A 60 7.161 -1.398 2.796 1.00 0.00 C ATOM 878 O ALA A 60 6.207 -1.138 3.528 1.00 0.00 O ATOM 879 CB ALA A 60 8.231 -3.650 2.596 1.00 0.00 C ATOM 0 H ALA A 60 7.323 -2.394 5.135 1.00 0.00 H new ATOM 0 HA ALA A 60 9.240 -1.813 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.262 -3.514 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.080 -4.257 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.304 -4.152 2.872 1.00 0.00 H new ATOM 885 N PHE A 61 7.271 -0.929 1.557 1.00 0.00 N ATOM 886 CA PHE A 61 6.253 -0.062 0.975 1.00 0.00 C ATOM 887 C PHE A 61 5.805 -0.586 -0.386 1.00 0.00 C ATOM 888 O PHE A 61 6.629 -0.950 -1.225 1.00 0.00 O ATOM 889 CB PHE A 61 6.789 1.364 0.833 1.00 0.00 C ATOM 890 CG PHE A 61 7.315 1.938 2.118 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.591 1.627 2.560 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.534 2.788 2.884 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.076 2.152 3.742 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.014 3.318 4.067 1.00 0.00 C ATOM 895 CZ PHE A 61 8.288 3.000 4.496 1.00 0.00 C ATOM 0 H PHE A 61 8.054 -1.135 0.937 1.00 0.00 H new ATOM 0 HA PHE A 61 5.392 -0.055 1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.585 1.372 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.993 2.007 0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.213 0.967 1.974 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.537 3.040 2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.071 1.900 4.077 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.394 3.979 4.655 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.667 3.413 5.419 1.00 0.00 H new ATOM 905 N ALA A 62 4.493 -0.623 -0.596 1.00 0.00 N ATOM 906 CA ALA A 62 3.935 -1.101 -1.855 1.00 0.00 C ATOM 907 C ALA A 62 2.850 -0.160 -2.367 1.00 0.00 C ATOM 908 O ALA A 62 2.442 0.768 -1.670 1.00 0.00 O ATOM 909 CB ALA A 62 3.379 -2.507 -1.685 1.00 0.00 C ATOM 0 H ALA A 62 3.797 -0.328 0.089 1.00 0.00 H new ATOM 0 HA ALA A 62 4.736 -1.125 -2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.965 -2.852 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.178 -3.179 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.595 -2.499 -0.928 1.00 0.00 H new ATOM 915 N GLN A 63 2.389 -0.405 -3.589 1.00 0.00 N ATOM 916 CA GLN A 63 1.352 0.423 -4.194 1.00 0.00 C ATOM 917 C GLN A 63 0.349 -0.434 -4.960 1.00 0.00 C ATOM 918 O GLN A 63 0.726 -1.375 -5.658 1.00 0.00 O ATOM 919 CB GLN A 63 1.978 1.457 -5.132 1.00 0.00 C ATOM 920 CG GLN A 63 1.024 2.570 -5.535 1.00 0.00 C ATOM 921 CD GLN A 63 1.316 3.116 -6.918 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.417 3.244 -7.750 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.578 3.443 -7.172 1.00 0.00 N ATOM 0 H GLN A 63 2.717 -1.169 -4.179 1.00 0.00 H new ATOM 0 HA GLN A 63 0.823 0.941 -3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.850 1.895 -4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.334 0.952 -6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.001 2.195 -5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.088 3.379 -4.808 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.291 3.321 -6.453 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.834 3.817 -8.086 1.00 0.00 H new ATOM 932 N PHE A 64 -0.930 -0.102 -4.823 1.00 0.00 N ATOM 933 CA PHE A 64 -1.989 -0.842 -5.501 1.00 0.00 C ATOM 934 C PHE A 64 -2.411 -0.134 -6.785 1.00 0.00 C ATOM 935 O PHE A 64 -1.986 0.989 -7.055 1.00 0.00 O ATOM 936 CB PHE A 64 -3.196 -1.009 -4.576 1.00 0.00 C ATOM 937 CG PHE A 64 -3.133 -2.246 -3.726 1.00 0.00 C ATOM 938 CD1 PHE A 64 -3.664 -3.443 -4.180 1.00 0.00 C ATOM 939 CD2 PHE A 64 -2.544 -2.212 -2.472 1.00 0.00 C ATOM 940 CE1 PHE A 64 -3.608 -4.583 -3.401 1.00 0.00 C ATOM 941 CE2 PHE A 64 -2.485 -3.349 -1.689 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.018 -4.535 -2.153 1.00 0.00 C ATOM 0 H PHE A 64 -1.259 0.674 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.601 -1.827 -5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.271 -0.136 -3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.104 -1.037 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.127 -3.485 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.127 -1.287 -2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.025 -5.510 -3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.022 -3.310 -0.714 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.974 -5.424 -1.541 1.00 0.00 H new ATOM 952 N MET A 65 -3.250 -0.799 -7.572 1.00 0.00 N ATOM 953 CA MET A 65 -3.731 -0.234 -8.827 1.00 0.00 C ATOM 954 C MET A 65 -5.079 0.453 -8.633 1.00 0.00 C ATOM 955 O MET A 65 -5.484 1.290 -9.440 1.00 0.00 O ATOM 956 CB MET A 65 -3.851 -1.327 -9.891 1.00 0.00 C ATOM 957 CG MET A 65 -2.517 -1.738 -10.493 1.00 0.00 C ATOM 958 SD MET A 65 -2.674 -2.336 -12.187 1.00 0.00 S ATOM 959 CE MET A 65 -1.743 -1.089 -13.074 1.00 0.00 C ATOM 0 H MET A 65 -3.611 -1.730 -7.363 1.00 0.00 H new ATOM 0 HA MET A 65 -3.008 0.511 -9.161 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.326 -2.203 -9.449 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.507 -0.977 -10.688 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.837 -0.887 -10.474 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.069 -2.518 -9.877 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.748 -1.320 -14.139 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.198 -0.112 -12.913 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.716 -1.075 -12.710 1.00 0.00 H new ATOM 969 N THR A 66 -5.772 0.094 -7.556 1.00 0.00 N ATOM 970 CA THR A 66 -7.074 0.674 -7.257 1.00 0.00 C ATOM 971 C THR A 66 -7.190 1.035 -5.780 1.00 0.00 C ATOM 972 O THR A 66 -6.907 0.214 -4.908 1.00 0.00 O ATOM 973 CB THR A 66 -8.218 -0.289 -7.629 1.00 0.00 C ATOM 974 OG1 THR A 66 -7.900 -1.616 -7.195 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.462 -0.285 -9.130 1.00 0.00 C ATOM 0 H THR A 66 -5.452 -0.596 -6.877 1.00 0.00 H new ATOM 0 HA THR A 66 -7.161 1.579 -7.858 1.00 0.00 H new ATOM 0 HB THR A 66 -9.126 0.049 -7.129 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.632 -2.222 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.274 -0.972 -9.368 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.732 0.721 -9.452 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.556 -0.601 -9.647 1.00 0.00 H new ATOM 983 N GLN A 67 -7.607 2.267 -5.507 1.00 0.00 N ATOM 984 CA GLN A 67 -7.759 2.736 -4.135 1.00 0.00 C ATOM 985 C GLN A 67 -8.402 1.663 -3.262 1.00 0.00 C ATOM 986 O GLN A 67 -7.900 1.344 -2.185 1.00 0.00 O ATOM 987 CB GLN A 67 -8.602 4.012 -4.100 1.00 0.00 C ATOM 988 CG GLN A 67 -7.825 5.265 -4.469 1.00 0.00 C ATOM 989 CD GLN A 67 -8.725 6.399 -4.917 1.00 0.00 C ATOM 990 OE1 GLN A 67 -8.891 7.392 -4.209 1.00 0.00 O ATOM 991 NE2 GLN A 67 -9.313 6.257 -6.100 1.00 0.00 N ATOM 0 H GLN A 67 -7.846 2.958 -6.218 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.767 2.954 -3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.443 3.901 -4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.019 4.134 -3.101 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.238 5.590 -3.610 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.120 5.029 -5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.147 5.417 -6.654 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.930 6.988 -6.454 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.515 1.111 -3.734 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.227 0.075 -2.995 1.00 0.00 C ATOM 1002 C GLU A 68 -9.275 -1.039 -2.567 1.00 0.00 C ATOM 1003 O GLU A 68 -9.364 -1.551 -1.452 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.358 -0.505 -3.847 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.542 -0.997 -3.032 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.278 0.130 -2.334 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.244 1.268 -2.848 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -13.887 -0.125 -1.274 1.00 0.00 O ATOM 0 H GLU A 68 -9.943 1.364 -4.625 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.653 0.530 -2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.701 0.256 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.967 -1.332 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.234 -1.527 -3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.194 -1.714 -2.288 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.365 -1.408 -3.462 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.396 -2.459 -3.178 1.00 0.00 C ATOM 1017 C ALA A 69 -6.699 -2.217 -1.844 1.00 0.00 C ATOM 1018 O ALA A 69 -6.821 -3.014 -0.915 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.374 -2.553 -4.301 1.00 0.00 C ATOM 0 H ALA A 69 -8.279 -0.994 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.933 -3.405 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.657 -3.342 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.883 -2.782 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.849 -1.602 -4.396 1.00 0.00 H new ATOM 1025 N ALA A 70 -5.966 -1.111 -1.757 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.250 -0.763 -0.536 1.00 0.00 C ATOM 1027 C ALA A 70 -6.161 -0.864 0.682 1.00 0.00 C ATOM 1028 O ALA A 70 -5.764 -1.387 1.723 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.667 0.638 -0.648 1.00 0.00 C ATOM 0 H ALA A 70 -5.853 -0.441 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.435 -1.475 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.135 0.885 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.976 0.678 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.472 1.356 -0.805 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.383 -0.358 0.545 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.349 -0.391 1.637 1.00 0.00 C ATOM 1037 C GLN A 71 -8.746 -1.825 1.970 1.00 0.00 C ATOM 1038 O GLN A 71 -8.947 -2.171 3.134 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.591 0.423 1.270 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.281 1.848 0.842 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.136 2.457 1.627 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -6.913 2.060 1.295 1.00 0.00 O flip ATOM 1043 NE2 GLN A 71 -8.348 3.276 2.522 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.727 0.079 -0.310 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.881 0.050 2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.121 -0.083 0.463 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.265 0.448 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.035 1.859 -0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.172 2.463 0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.304 3.553 2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.567 3.678 3.041 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.858 -2.657 0.940 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.231 -4.055 1.122 1.00 0.00 C ATOM 1054 C LYS A 72 -8.117 -4.828 1.821 1.00 0.00 C ATOM 1055 O LYS A 72 -8.364 -5.857 2.451 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.544 -4.701 -0.230 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.846 -4.221 -0.846 1.00 0.00 C ATOM 1058 CD LYS A 72 -11.051 -4.797 -2.237 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.377 -4.354 -2.835 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.898 -5.339 -3.822 1.00 0.00 N ATOM 0 H LYS A 72 -8.696 -2.387 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.122 -4.089 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.727 -4.493 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.588 -5.783 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.680 -4.508 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.845 -3.132 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.234 -4.481 -2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.018 -5.885 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.108 -4.218 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.251 -3.386 -3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.803 -5.000 -4.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.213 -5.450 -4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.043 -6.256 -3.354 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.893 -4.326 1.706 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.741 -4.969 2.328 1.00 0.00 C ATOM 1076 C CYS A 73 -5.628 -4.579 3.799 1.00 0.00 C ATOM 1077 O CYS A 73 -5.229 -5.388 4.638 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.457 -4.591 1.588 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.941 -5.010 2.479 1.00 0.00 S ATOM 0 H CYS A 73 -6.672 -3.476 1.188 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.883 -6.048 2.267 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.447 -5.092 0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.466 -3.519 1.392 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.241 -5.432 3.672 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.981 -3.336 4.104 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.918 -2.837 5.473 1.00 0.00 C ATOM 1087 C LEU A 74 -6.944 -3.540 6.356 1.00 0.00 C ATOM 1088 O LEU A 74 -6.588 -4.207 7.327 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.158 -1.326 5.498 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.131 -0.472 4.754 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -5.652 0.945 4.565 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -3.806 -0.459 5.501 1.00 0.00 C ATOM 0 H LEU A 74 -6.314 -2.655 3.422 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.923 -3.047 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.142 -1.127 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.187 -1.000 6.538 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.966 -0.911 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.908 1.538 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.576 0.919 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.846 1.394 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.087 0.154 4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.955 -0.044 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.425 -1.477 5.584 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.218 -3.388 6.011 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.295 -4.012 6.770 1.00 0.00 C ATOM 1106 C ALA A 75 -8.954 -5.456 7.121 1.00 0.00 C ATOM 1107 O ALA A 75 -9.345 -5.958 8.175 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.597 -3.951 5.986 1.00 0.00 C ATOM 0 H ALA A 75 -8.530 -2.838 5.211 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.418 -3.459 7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.392 -4.421 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.856 -2.910 5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.477 -4.478 5.040 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.223 -6.120 6.232 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.828 -7.506 6.449 1.00 0.00 C ATOM 1116 C ALA A 76 -6.528 -7.589 7.242 1.00 0.00 C ATOM 1117 O ALA A 76 -6.288 -8.560 7.959 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.683 -8.228 5.117 1.00 0.00 C ATOM 0 H ALA A 76 -7.892 -5.720 5.354 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.610 -7.994 7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.388 -9.262 5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.635 -8.208 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.922 -7.731 4.515 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.692 -6.565 7.108 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.417 -6.522 7.813 1.00 0.00 C ATOM 1126 C ALA A 77 -4.605 -6.077 9.260 1.00 0.00 C ATOM 1127 O ALA A 77 -3.690 -6.187 10.076 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.448 -5.593 7.095 1.00 0.00 C ATOM 0 H ALA A 77 -5.875 -5.754 6.517 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.000 -7.529 7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.500 -5.570 7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.281 -5.955 6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.868 -4.588 7.058 1.00 0.00 H new ATOM 1134 N SER A 78 -5.796 -5.575 9.570 1.00 0.00 N ATOM 1135 CA SER A 78 -6.102 -5.110 10.918 1.00 0.00 C ATOM 1136 C SER A 78 -7.025 -6.091 11.634 1.00 0.00 C ATOM 1137 O SER A 78 -8.234 -6.110 11.398 1.00 0.00 O ATOM 1138 CB SER A 78 -6.750 -3.726 10.867 1.00 0.00 C ATOM 1139 OG SER A 78 -6.786 -3.132 12.154 1.00 0.00 O ATOM 0 H SER A 78 -6.565 -5.480 8.906 1.00 0.00 H new ATOM 0 HA SER A 78 -5.167 -5.045 11.475 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.194 -3.085 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.763 -3.809 10.473 1.00 0.00 H new ATOM 0 HG SER A 78 -7.203 -2.247 12.094 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.566 -10.235 8.925 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.631 -11.011 8.118 1.00 0.00 C ATOM 1227 C LEU A 86 -1.333 -11.263 8.878 1.00 0.00 C ATOM 1228 O LEU A 86 -0.968 -10.501 9.774 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.334 -10.284 6.805 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.260 -10.610 5.633 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.650 -10.045 5.877 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.684 -10.070 4.332 1.00 0.00 C ATOM 0 HA LEU A 86 -3.093 -11.973 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.378 -9.211 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.311 -10.515 6.509 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.341 -11.694 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.295 -10.287 5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.065 -10.480 6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.588 -8.962 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.356 -10.311 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.573 -8.988 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.710 -10.523 4.150 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.638 -12.334 8.514 1.00 0.00 N ATOM 1245 CA LYS A 87 0.622 -12.686 9.158 1.00 0.00 C ATOM 1246 C LYS A 87 1.571 -13.356 8.169 1.00 0.00 C ATOM 1247 O LYS A 87 1.136 -14.054 7.252 1.00 0.00 O ATOM 1248 CB LYS A 87 0.369 -13.614 10.348 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.416 -12.962 11.472 1.00 0.00 C ATOM 1250 CD LYS A 87 -0.047 -13.548 12.824 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.352 -12.578 13.955 1.00 0.00 C ATOM 1252 NZ LYS A 87 -1.816 -12.448 14.194 1.00 0.00 N ATOM 0 H LYS A 87 -0.926 -12.975 7.775 1.00 0.00 H new ATOM 0 HA LYS A 87 1.087 -11.767 9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.172 -14.495 10.002 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.326 -13.960 10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.225 -11.889 11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.483 -13.095 11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.596 -14.476 12.981 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.014 -13.800 12.835 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.136 -12.919 14.868 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.065 -11.600 13.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.983 -11.778 14.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.279 -12.098 13.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.210 -13.377 14.446 1.00 0.00 H new ATOM 1266 N LEU A 88 2.868 -13.141 8.362 1.00 0.00 N ATOM 1267 CA LEU A 88 3.878 -13.727 7.488 1.00 0.00 C ATOM 1268 C LEU A 88 4.964 -14.424 8.301 1.00 0.00 C ATOM 1269 O LEU A 88 5.893 -13.784 8.792 1.00 0.00 O ATOM 1270 CB LEU A 88 4.503 -12.646 6.603 1.00 0.00 C ATOM 1271 CG LEU A 88 4.997 -13.106 5.231 1.00 0.00 C ATOM 1272 CD1 LEU A 88 3.852 -13.127 4.231 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.120 -12.204 4.739 1.00 0.00 C ATOM 0 H LEU A 88 3.244 -12.566 9.115 1.00 0.00 H new ATOM 0 HA LEU A 88 3.390 -14.469 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.768 -11.855 6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.343 -12.205 7.140 1.00 0.00 H new ATOM 0 HG LEU A 88 5.387 -14.119 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.223 -13.457 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.079 -13.814 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.432 -12.126 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.459 -12.546 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.755 -11.180 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.950 -12.239 5.444 1.00 0.00 H new ATOM 1285 N ASP A 89 4.840 -15.740 8.437 1.00 0.00 N ATOM 1286 CA ASP A 89 5.812 -16.526 9.188 1.00 0.00 C ATOM 1287 C ASP A 89 5.680 -16.267 10.685 1.00 0.00 C ATOM 1288 O ASP A 89 6.677 -16.155 11.397 1.00 0.00 O ATOM 1289 CB ASP A 89 7.232 -16.197 8.725 1.00 0.00 C ATOM 1290 CG ASP A 89 8.204 -17.331 8.986 1.00 0.00 C ATOM 1291 OD1 ASP A 89 8.198 -18.309 8.209 1.00 0.00 O ATOM 1292 OD2 ASP A 89 8.970 -17.241 9.968 1.00 0.00 O ATOM 0 H ASP A 89 4.076 -16.285 8.037 1.00 0.00 H new ATOM 0 HA ASP A 89 5.612 -17.581 9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.220 -15.971 7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.579 -15.300 9.237 1.00 0.00 H new ATOM 1297 N GLY A 90 4.440 -16.173 11.157 1.00 0.00 N ATOM 1298 CA GLY A 90 4.200 -15.927 12.567 1.00 0.00 C ATOM 1299 C GLY A 90 4.406 -14.473 12.946 1.00 0.00 C ATOM 1300 O GLY A 90 4.495 -14.139 14.127 1.00 0.00 O ATOM 0 H GLY A 90 3.598 -16.263 10.588 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.181 -16.223 12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.867 -16.552 13.160 1.00 0.00 H new ATOM 1304 N ARG A 91 4.483 -13.607 11.941 1.00 0.00 N ATOM 1305 CA ARG A 91 4.683 -12.182 12.174 1.00 0.00 C ATOM 1306 C ARG A 91 3.465 -11.381 11.722 1.00 0.00 C ATOM 1307 O ARG A 91 2.999 -11.528 10.592 1.00 0.00 O ATOM 1308 CB ARG A 91 5.931 -11.693 11.437 1.00 0.00 C ATOM 1309 CG ARG A 91 7.220 -12.323 11.937 1.00 0.00 C ATOM 1310 CD ARG A 91 7.843 -11.504 13.057 1.00 0.00 C ATOM 1311 NE ARG A 91 7.263 -11.826 14.358 1.00 0.00 N ATOM 1312 CZ ARG A 91 7.387 -13.011 14.945 1.00 0.00 C ATOM 1313 NH1 ARG A 91 8.067 -13.981 14.350 1.00 0.00 N ATOM 1314 NH2 ARG A 91 6.831 -13.227 16.130 1.00 0.00 N ATOM 0 H ARG A 91 4.410 -13.867 10.958 1.00 0.00 H new ATOM 0 HA ARG A 91 4.819 -12.030 13.245 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.821 -11.906 10.374 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.002 -10.610 11.540 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.018 -13.333 12.293 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.927 -12.411 11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.917 -11.685 13.084 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.704 -10.443 12.851 1.00 0.00 H new ATOM 0 HE ARG A 91 6.734 -11.101 14.842 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.497 -13.818 13.439 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.161 -14.890 14.803 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.308 -12.483 16.591 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.927 -14.137 16.580 1.00 0.00 H new ATOM 1328 N GLN A 92 2.956 -10.535 12.611 1.00 0.00 N ATOM 1329 CA GLN A 92 1.792 -9.713 12.303 1.00 0.00 C ATOM 1330 C GLN A 92 2.153 -8.607 11.317 1.00 0.00 C ATOM 1331 O GLN A 92 2.917 -7.696 11.641 1.00 0.00 O ATOM 1332 CB GLN A 92 1.218 -9.104 13.584 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.283 -8.873 13.528 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.647 -7.562 12.858 1.00 0.00 C ATOM 1335 OE1 GLN A 92 0.196 -6.680 12.695 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.909 -7.429 12.464 1.00 0.00 N ATOM 0 H GLN A 92 3.331 -10.401 13.550 1.00 0.00 H new ATOM 0 HA GLN A 92 1.038 -10.352 11.844 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.445 -9.762 14.423 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.716 -8.155 13.780 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.753 -9.695 12.989 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.686 -8.884 14.541 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.574 -8.186 12.619 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.212 -6.570 12.006 1.00 0.00 H new ATOM 1345 N LEU A 93 1.599 -8.691 10.113 1.00 0.00 N ATOM 1346 CA LEU A 93 1.862 -7.697 9.078 1.00 0.00 C ATOM 1347 C LEU A 93 0.949 -6.486 9.242 1.00 0.00 C ATOM 1348 O LEU A 93 -0.246 -6.553 8.955 1.00 0.00 O ATOM 1349 CB LEU A 93 1.669 -8.312 7.691 1.00 0.00 C ATOM 1350 CG LEU A 93 2.370 -9.649 7.446 1.00 0.00 C ATOM 1351 CD1 LEU A 93 1.989 -10.210 6.085 1.00 0.00 C ATOM 1352 CD2 LEU A 93 3.880 -9.487 7.554 1.00 0.00 C ATOM 0 H LEU A 93 0.965 -9.437 9.829 1.00 0.00 H new ATOM 0 HA LEU A 93 2.896 -7.366 9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.601 -8.448 7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.022 -7.598 6.947 1.00 0.00 H new ATOM 0 HG LEU A 93 2.044 -10.354 8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.497 -11.161 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.911 -10.364 6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.286 -9.508 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.363 -10.448 7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.223 -8.767 6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.137 -9.130 8.551 1.00 0.00 H new ATOM 1364 N LYS A 94 1.521 -5.378 9.702 1.00 0.00 N ATOM 1365 CA LYS A 94 0.761 -4.150 9.901 1.00 0.00 C ATOM 1366 C LYS A 94 0.790 -3.283 8.646 1.00 0.00 C ATOM 1367 O LYS A 94 1.783 -2.611 8.367 1.00 0.00 O ATOM 1368 CB LYS A 94 1.321 -3.365 11.089 1.00 0.00 C ATOM 1369 CG LYS A 94 0.734 -3.784 12.426 1.00 0.00 C ATOM 1370 CD LYS A 94 0.823 -2.664 13.449 1.00 0.00 C ATOM 1371 CE LYS A 94 0.346 -3.121 14.819 1.00 0.00 C ATOM 1372 NZ LYS A 94 1.243 -4.157 15.401 1.00 0.00 N ATOM 0 H LYS A 94 2.509 -5.306 9.944 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.274 -4.423 10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.403 -3.493 11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.130 -2.303 10.935 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.308 -4.074 12.292 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.264 -4.661 12.798 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.853 -2.315 13.519 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.222 -1.818 13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.297 -2.264 15.491 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.665 -3.520 14.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.043 -4.259 16.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.080 -5.066 14.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.234 -3.871 15.271 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.306 -3.302 7.894 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.406 -2.516 6.670 1.00 0.00 C ATOM 1388 C VAL A 95 -1.203 -1.237 6.902 1.00 0.00 C ATOM 1389 O VAL A 95 -2.301 -1.269 7.458 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.070 -3.322 5.538 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -0.960 -2.577 4.216 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.446 -4.706 5.433 1.00 0.00 C ATOM 0 H VAL A 95 -1.137 -3.853 8.111 1.00 0.00 H new ATOM 0 HA VAL A 95 0.611 -2.259 6.375 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.128 -3.442 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.435 -3.162 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.457 -1.611 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.091 -2.424 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.927 -5.262 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.619 -4.610 5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.582 -5.239 6.374 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.642 -0.111 6.473 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.301 1.180 6.633 1.00 0.00 C ATOM 1404 C ASP A 96 -1.072 2.062 5.409 1.00 0.00 C ATOM 1405 O ASP A 96 -0.004 2.026 4.796 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.788 1.886 7.889 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.775 2.905 8.423 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.931 2.524 8.701 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -1.390 4.085 8.565 1.00 0.00 O ATOM 0 H ASP A 96 0.267 -0.067 6.012 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.372 1.004 6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.582 1.144 8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.156 2.382 7.664 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.081 2.851 5.058 1.00 0.00 N ATOM 1415 CA LEU A 97 -1.990 3.742 3.906 1.00 0.00 C ATOM 1416 C LEU A 97 -0.878 4.768 4.098 1.00 0.00 C ATOM 1417 O LEU A 97 -1.058 5.771 4.789 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.325 4.455 3.682 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.479 5.188 2.349 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.171 5.855 1.952 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -3.941 4.227 1.263 1.00 0.00 C ATOM 0 H LEU A 97 -2.971 2.892 5.554 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.755 3.139 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.125 3.719 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.470 5.174 4.488 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.236 5.963 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.300 6.372 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.882 6.573 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.393 5.099 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.045 4.765 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.207 3.430 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.902 3.796 1.543 1.00 0.00 H new ATOM 1433 N ALA A 98 0.270 4.512 3.479 1.00 0.00 N ATOM 1434 CA ALA A 98 1.409 5.415 3.578 1.00 0.00 C ATOM 1435 C ALA A 98 1.286 6.565 2.584 1.00 0.00 C ATOM 1436 O ALA A 98 0.304 6.660 1.848 1.00 0.00 O ATOM 1437 CB ALA A 98 2.707 4.654 3.350 1.00 0.00 C ATOM 0 H ALA A 98 0.435 3.686 2.904 1.00 0.00 H new ATOM 0 HA ALA A 98 1.420 5.838 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.550 5.341 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.807 3.871 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.695 4.204 2.357 1.00 0.00 H new ATOM 1443 N VAL A 99 2.289 7.437 2.568 1.00 0.00 N ATOM 1444 CA VAL A 99 2.294 8.581 1.664 1.00 0.00 C ATOM 1445 C VAL A 99 3.683 8.817 1.083 1.00 0.00 C ATOM 1446 O VAL A 99 4.646 9.039 1.817 1.00 0.00 O ATOM 1447 CB VAL A 99 1.823 9.862 2.377 1.00 0.00 C ATOM 1448 CG1 VAL A 99 1.874 11.051 1.429 1.00 0.00 C ATOM 1449 CG2 VAL A 99 0.421 9.675 2.937 1.00 0.00 C ATOM 0 H VAL A 99 3.109 7.373 3.171 1.00 0.00 H new ATOM 0 HA VAL A 99 1.601 8.348 0.856 1.00 0.00 H new ATOM 0 HB VAL A 99 2.498 10.063 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.538 11.947 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.897 11.196 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.224 10.863 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.104 10.590 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.268 9.449 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.421 8.852 3.652 1.00 0.00 H new