USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 959 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 52 CYS SG : rot 85:sc= 0.429 USER MOD Set 1.2: A 54 TYR OH : rot -76:sc= 0.326 USER MOD Single : A 13 THR OG1 : rot -38:sc= 0.19 USER MOD Single : A 17 THR OG1 : rot 77:sc= 0.0192 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.977 K(o=0.98,f=-6.7!) USER MOD Single : A 38 ASN : amide:sc= -0.062 K(o=-0.062,f=-1.8) USER MOD Single : A 39 CYS SG : rot 0:sc= 0.0725 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.0182 USER MOD Single : A 45 ASN : amide:sc= 0.302 K(o=0.3,f=-3.7!) USER MOD Single : A 49 CYS SG : rot 37:sc= -0.0634 USER MOD Single : A 55 SER OG : rot 29:sc= 0.613 USER MOD Single : A 60 MET CE :methyl -171:sc= 0 (180deg=-0.0766) USER MOD Single : A 61 GLN : amide:sc= -0.0387 K(o=-0.039,f=-1.1) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.0602 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0031 USER MOD Single : A 66 CYS SG : rot 79:sc= 0.018 USER MOD Single : A 70 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=-0.063) USER MOD Single : A 74 THR OG1 : rot -79:sc= 1.66 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 81 GLN : amide:sc= 0.211 X(o=0.21,f=-0.066) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0214) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 170:sc= -0.0178 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 1.12 K(o=1.1,f=-3.1!) USER MOD Single : A 124 MET CE :methyl -171:sc= -0.0509 (180deg=-0.11) USER MOD Single : A 128 ASN : amide:sc= 1.12 K(o=1.1,f=-0.37) USER MOD Single : A 133 MET CE :methyl 175:sc= 0 (180deg=-0.0567) USER MOD Single : A 135 LYS NZ :NH3+ -153:sc= 1.06 (180deg=0.674) USER MOD ----------------------------------------------------------------- ATOM 191 N THR A 13 23.039 -2.785 -12.132 1.00 0.00 N ATOM 192 CA THR A 13 23.602 -1.994 -11.017 1.00 0.00 C ATOM 193 C THR A 13 23.917 -0.558 -11.432 1.00 0.00 C ATOM 194 O THR A 13 23.600 0.374 -10.692 1.00 0.00 O ATOM 195 CB THR A 13 24.858 -2.685 -10.464 1.00 0.00 C ATOM 196 OG1 THR A 13 25.762 -2.928 -11.525 1.00 0.00 O ATOM 197 CG2 THR A 13 24.515 -4.025 -9.801 1.00 0.00 C ATOM 0 HA THR A 13 22.846 -1.941 -10.234 1.00 0.00 H new ATOM 0 HB THR A 13 25.302 -2.028 -9.716 1.00 0.00 H new ATOM 0 HG1 THR A 13 25.263 -3.189 -12.327 1.00 0.00 H new ATOM 0 HG21 THR A 13 25.426 -4.487 -9.421 1.00 0.00 H new ATOM 0 HG22 THR A 13 23.823 -3.856 -8.976 1.00 0.00 H new ATOM 0 HG23 THR A 13 24.052 -4.686 -10.534 1.00 0.00 H new ATOM 205 N PHE A 14 24.460 -0.362 -12.637 1.00 0.00 N ATOM 206 CA PHE A 14 24.698 0.960 -13.223 1.00 0.00 C ATOM 207 C PHE A 14 23.381 1.642 -13.597 1.00 0.00 C ATOM 208 O PHE A 14 23.083 2.732 -13.113 1.00 0.00 O ATOM 209 CB PHE A 14 25.605 0.806 -14.450 1.00 0.00 C ATOM 210 CG PHE A 14 26.124 2.126 -14.989 1.00 0.00 C ATOM 211 CD1 PHE A 14 27.328 2.665 -14.494 1.00 0.00 C ATOM 212 CD2 PHE A 14 25.396 2.833 -15.968 1.00 0.00 C ATOM 213 CE1 PHE A 14 27.803 3.898 -14.978 1.00 0.00 C ATOM 214 CE2 PHE A 14 25.872 4.065 -16.450 1.00 0.00 C ATOM 215 CZ PHE A 14 27.075 4.598 -15.957 1.00 0.00 C ATOM 0 H PHE A 14 24.751 -1.130 -13.242 1.00 0.00 H new ATOM 0 HA PHE A 14 25.191 1.595 -12.487 1.00 0.00 H new ATOM 0 HB2 PHE A 14 26.452 0.171 -14.189 1.00 0.00 H new ATOM 0 HB3 PHE A 14 25.053 0.293 -15.238 1.00 0.00 H new ATOM 0 HD1 PHE A 14 27.888 2.130 -13.741 1.00 0.00 H new ATOM 0 HD2 PHE A 14 24.470 2.427 -16.349 1.00 0.00 H new ATOM 0 HE1 PHE A 14 28.727 4.307 -14.597 1.00 0.00 H new ATOM 0 HE2 PHE A 14 25.312 4.603 -17.201 1.00 0.00 H new ATOM 0 HZ PHE A 14 27.440 5.544 -16.329 1.00 0.00 H new ATOM 225 N LEU A 15 22.564 0.966 -14.417 1.00 0.00 N ATOM 226 CA LEU A 15 21.261 1.460 -14.876 1.00 0.00 C ATOM 227 C LEU A 15 20.325 1.734 -13.697 1.00 0.00 C ATOM 228 O LEU A 15 19.593 2.716 -13.706 1.00 0.00 O ATOM 229 CB LEU A 15 20.663 0.434 -15.861 1.00 0.00 C ATOM 230 CG LEU A 15 19.246 0.792 -16.351 1.00 0.00 C ATOM 231 CD1 LEU A 15 19.218 2.086 -17.173 1.00 0.00 C ATOM 232 CD2 LEU A 15 18.681 -0.356 -17.199 1.00 0.00 C ATOM 0 H LEU A 15 22.796 0.044 -14.786 1.00 0.00 H new ATOM 0 HA LEU A 15 21.390 2.412 -15.391 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.324 0.345 -16.723 1.00 0.00 H new ATOM 0 HB3 LEU A 15 20.634 -0.543 -15.379 1.00 0.00 H new ATOM 0 HG LEU A 15 18.633 0.949 -15.464 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.197 2.292 -17.493 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.580 2.913 -16.562 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.857 1.975 -18.049 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.679 -0.096 -17.542 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.327 -0.524 -18.060 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.634 -1.264 -16.598 1.00 0.00 H new ATOM 244 N ASP A 16 20.408 0.922 -12.644 1.00 0.00 N ATOM 245 CA ASP A 16 19.633 1.111 -11.407 1.00 0.00 C ATOM 246 C ASP A 16 19.889 2.468 -10.733 1.00 0.00 C ATOM 247 O ASP A 16 18.978 3.061 -10.150 1.00 0.00 O ATOM 248 CB ASP A 16 20.002 -0.018 -10.450 1.00 0.00 C ATOM 249 CG ASP A 16 19.005 -0.139 -9.286 1.00 0.00 C ATOM 250 OD1 ASP A 16 17.868 -0.613 -9.523 1.00 0.00 O ATOM 251 OD2 ASP A 16 19.369 0.220 -8.140 1.00 0.00 O ATOM 0 H ASP A 16 21.019 0.106 -12.620 1.00 0.00 H new ATOM 0 HA ASP A 16 18.574 1.095 -11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 16 20.036 -0.960 -10.997 1.00 0.00 H new ATOM 0 HB3 ASP A 16 21.002 0.156 -10.053 1.00 0.00 H new ATOM 256 N THR A 17 21.116 2.985 -10.875 1.00 0.00 N ATOM 257 CA THR A 17 21.517 4.309 -10.374 1.00 0.00 C ATOM 258 C THR A 17 20.987 5.409 -11.289 1.00 0.00 C ATOM 259 O THR A 17 20.600 6.468 -10.804 1.00 0.00 O ATOM 260 CB THR A 17 23.042 4.394 -10.206 1.00 0.00 C ATOM 261 OG1 THR A 17 23.473 3.374 -9.325 1.00 0.00 O ATOM 262 CG2 THR A 17 23.477 5.725 -9.585 1.00 0.00 C ATOM 0 H THR A 17 21.871 2.489 -11.348 1.00 0.00 H new ATOM 0 HA THR A 17 21.075 4.456 -9.388 1.00 0.00 H new ATOM 0 HB THR A 17 23.479 4.294 -11.200 1.00 0.00 H new ATOM 0 HG1 THR A 17 23.484 2.516 -9.798 1.00 0.00 H new ATOM 0 HG21 THR A 17 24.562 5.742 -9.484 1.00 0.00 H new ATOM 0 HG22 THR A 17 23.159 6.547 -10.226 1.00 0.00 H new ATOM 0 HG23 THR A 17 23.020 5.834 -8.602 1.00 0.00 H new ATOM 270 N ILE A 18 20.888 5.149 -12.596 1.00 0.00 N ATOM 271 CA ILE A 18 20.269 6.083 -13.559 1.00 0.00 C ATOM 272 C ILE A 18 18.759 6.181 -13.312 1.00 0.00 C ATOM 273 O ILE A 18 18.204 7.277 -13.289 1.00 0.00 O ATOM 274 CB ILE A 18 20.574 5.670 -15.020 1.00 0.00 C ATOM 275 CG1 ILE A 18 22.062 5.341 -15.272 1.00 0.00 C ATOM 276 CG2 ILE A 18 20.090 6.753 -16.002 1.00 0.00 C ATOM 277 CD1 ILE A 18 23.059 6.455 -14.926 1.00 0.00 C ATOM 0 H ILE A 18 21.232 4.288 -13.022 1.00 0.00 H new ATOM 0 HA ILE A 18 20.705 7.070 -13.405 1.00 0.00 H new ATOM 0 HB ILE A 18 20.022 4.746 -15.194 1.00 0.00 H new ATOM 0 HG12 ILE A 18 22.322 4.454 -14.694 1.00 0.00 H new ATOM 0 HG13 ILE A 18 22.185 5.083 -16.324 1.00 0.00 H new ATOM 0 HG21 ILE A 18 20.313 6.444 -17.023 1.00 0.00 H new ATOM 0 HG22 ILE A 18 19.014 6.890 -15.891 1.00 0.00 H new ATOM 0 HG23 ILE A 18 20.599 7.693 -15.787 1.00 0.00 H new ATOM 0 HD11 ILE A 18 24.072 6.116 -15.142 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.837 7.340 -15.523 1.00 0.00 H new ATOM 0 HD13 ILE A 18 22.977 6.701 -13.867 1.00 0.00 H new ATOM 289 N ILE A 19 18.102 5.049 -13.049 1.00 0.00 N ATOM 290 CA ILE A 19 16.681 4.981 -12.674 1.00 0.00 C ATOM 291 C ILE A 19 16.415 5.824 -11.416 1.00 0.00 C ATOM 292 O ILE A 19 15.502 6.649 -11.433 1.00 0.00 O ATOM 293 CB ILE A 19 16.254 3.496 -12.539 1.00 0.00 C ATOM 294 CG1 ILE A 19 16.226 2.824 -13.935 1.00 0.00 C ATOM 295 CG2 ILE A 19 14.877 3.364 -11.862 1.00 0.00 C ATOM 296 CD1 ILE A 19 16.173 1.291 -13.895 1.00 0.00 C ATOM 0 H ILE A 19 18.549 4.133 -13.091 1.00 0.00 H new ATOM 0 HA ILE A 19 16.059 5.417 -13.456 1.00 0.00 H new ATOM 0 HB ILE A 19 16.986 2.992 -11.908 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.360 3.192 -14.485 1.00 0.00 H new ATOM 0 HG13 ILE A 19 17.112 3.131 -14.491 1.00 0.00 H new ATOM 0 HG21 ILE A 19 14.609 2.310 -11.784 1.00 0.00 H new ATOM 0 HG22 ILE A 19 14.918 3.803 -10.865 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.127 3.885 -12.457 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.156 0.901 -14.913 1.00 0.00 H new ATOM 0 HD12 ILE A 19 17.052 0.910 -13.375 1.00 0.00 H new ATOM 0 HD13 ILE A 19 15.273 0.972 -13.369 1.00 0.00 H new ATOM 308 N ARG A 20 17.237 5.711 -10.364 1.00 0.00 N ATOM 309 CA ARG A 20 17.069 6.489 -9.122 1.00 0.00 C ATOM 310 C ARG A 20 17.105 8.012 -9.333 1.00 0.00 C ATOM 311 O ARG A 20 16.419 8.745 -8.619 1.00 0.00 O ATOM 312 CB ARG A 20 18.145 6.093 -8.100 1.00 0.00 C ATOM 313 CG ARG A 20 17.787 4.798 -7.362 1.00 0.00 C ATOM 314 CD ARG A 20 18.886 4.428 -6.360 1.00 0.00 C ATOM 315 NE ARG A 20 18.466 3.321 -5.481 1.00 0.00 N ATOM 316 CZ ARG A 20 17.727 3.434 -4.383 1.00 0.00 C ATOM 317 NH1 ARG A 20 17.229 4.576 -3.971 1.00 0.00 N ATOM 318 NH2 ARG A 20 17.459 2.385 -3.638 1.00 0.00 N ATOM 0 H ARG A 20 18.038 5.079 -10.347 1.00 0.00 H new ATOM 0 HA ARG A 20 16.074 6.246 -8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.100 5.968 -8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 20 18.273 6.899 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.838 4.921 -6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 20 17.654 3.989 -8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 20 19.790 4.143 -6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.136 5.299 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 20 18.771 2.383 -5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.404 5.430 -4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.667 4.610 -3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.820 1.468 -3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.890 2.488 -2.798 1.00 0.00 H new ATOM 332 N LYS A 21 17.866 8.505 -10.316 1.00 0.00 N ATOM 333 CA LYS A 21 17.942 9.934 -10.663 1.00 0.00 C ATOM 334 C LYS A 21 16.653 10.455 -11.333 1.00 0.00 C ATOM 335 O LYS A 21 16.298 11.623 -11.153 1.00 0.00 O ATOM 336 CB LYS A 21 19.158 10.146 -11.578 1.00 0.00 C ATOM 337 CG LYS A 21 20.484 9.926 -10.827 1.00 0.00 C ATOM 338 CD LYS A 21 21.702 9.840 -11.756 1.00 0.00 C ATOM 339 CE LYS A 21 21.922 11.146 -12.537 1.00 0.00 C ATOM 340 NZ LYS A 21 23.178 11.115 -13.336 1.00 0.00 N ATOM 0 H LYS A 21 18.456 7.916 -10.903 1.00 0.00 H new ATOM 0 HA LYS A 21 18.053 10.508 -9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 21 19.101 9.460 -12.423 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.134 11.157 -11.986 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.632 10.742 -10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.415 9.008 -10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.592 9.615 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.566 9.016 -12.457 1.00 0.00 H new ATOM 0 HE2 LYS A 21 21.075 11.318 -13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 21 21.957 11.983 -11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 23.287 12.015 -13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.990 10.977 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.135 10.332 -14.019 1.00 0.00 H new ATOM 354 N PHE A 22 15.940 9.593 -12.069 1.00 0.00 N ATOM 355 CA PHE A 22 14.630 9.892 -12.664 1.00 0.00 C ATOM 356 C PHE A 22 13.446 9.572 -11.729 1.00 0.00 C ATOM 357 O PHE A 22 12.392 10.199 -11.859 1.00 0.00 O ATOM 358 CB PHE A 22 14.497 9.143 -14.000 1.00 0.00 C ATOM 359 CG PHE A 22 15.291 9.772 -15.132 1.00 0.00 C ATOM 360 CD1 PHE A 22 14.839 10.972 -15.718 1.00 0.00 C ATOM 361 CD2 PHE A 22 16.475 9.171 -15.603 1.00 0.00 C ATOM 362 CE1 PHE A 22 15.568 11.571 -16.760 1.00 0.00 C ATOM 363 CE2 PHE A 22 17.208 9.772 -16.642 1.00 0.00 C ATOM 364 CZ PHE A 22 16.756 10.973 -17.221 1.00 0.00 C ATOM 0 H PHE A 22 16.264 8.648 -12.272 1.00 0.00 H new ATOM 0 HA PHE A 22 14.585 10.968 -12.834 1.00 0.00 H new ATOM 0 HB2 PHE A 22 14.828 8.113 -13.864 1.00 0.00 H new ATOM 0 HB3 PHE A 22 13.445 9.105 -14.283 1.00 0.00 H new ATOM 0 HD1 PHE A 22 13.929 11.433 -15.365 1.00 0.00 H new ATOM 0 HD2 PHE A 22 16.821 8.246 -15.165 1.00 0.00 H new ATOM 0 HE1 PHE A 22 15.217 12.489 -17.207 1.00 0.00 H new ATOM 0 HE2 PHE A 22 18.119 9.312 -16.996 1.00 0.00 H new ATOM 0 HZ PHE A 22 17.320 11.435 -18.018 1.00 0.00 H new ATOM 374 N GLU A 23 13.599 8.632 -10.789 1.00 0.00 N ATOM 375 CA GLU A 23 12.551 8.272 -9.820 1.00 0.00 C ATOM 376 C GLU A 23 12.233 9.398 -8.817 1.00 0.00 C ATOM 377 O GLU A 23 13.086 10.211 -8.450 1.00 0.00 O ATOM 378 CB GLU A 23 12.918 6.993 -9.042 1.00 0.00 C ATOM 379 CG GLU A 23 12.648 5.715 -9.844 1.00 0.00 C ATOM 380 CD GLU A 23 12.803 4.443 -8.989 1.00 0.00 C ATOM 381 OE1 GLU A 23 13.742 4.353 -8.164 1.00 0.00 O ATOM 382 OE2 GLU A 23 11.973 3.516 -9.147 1.00 0.00 O ATOM 0 H GLU A 23 14.459 8.095 -10.677 1.00 0.00 H new ATOM 0 HA GLU A 23 11.657 8.097 -10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.972 7.029 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.348 6.961 -8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.639 5.753 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.335 5.668 -10.689 1.00 0.00 H new ATOM 424 N ARG A 27 9.360 11.325 -2.808 1.00 0.00 N ATOM 425 CA ARG A 27 7.997 10.837 -2.523 1.00 0.00 C ATOM 426 C ARG A 27 8.045 9.383 -2.013 1.00 0.00 C ATOM 427 O ARG A 27 9.114 8.792 -1.872 1.00 0.00 O ATOM 428 CB ARG A 27 7.096 10.981 -3.769 1.00 0.00 C ATOM 429 CG ARG A 27 6.549 12.399 -4.014 1.00 0.00 C ATOM 430 CD ARG A 27 7.577 13.434 -4.486 1.00 0.00 C ATOM 431 NE ARG A 27 6.914 14.717 -4.786 1.00 0.00 N ATOM 432 CZ ARG A 27 7.451 15.778 -5.380 1.00 0.00 C ATOM 433 NH1 ARG A 27 8.704 15.798 -5.786 1.00 0.00 N ATOM 434 NH2 ARG A 27 6.718 16.853 -5.576 1.00 0.00 N ATOM 0 HA ARG A 27 7.559 11.449 -1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.662 10.669 -4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.255 10.295 -3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.754 12.339 -4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.096 12.759 -3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.335 13.580 -3.716 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.091 13.067 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 27 5.936 14.799 -4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.298 14.980 -5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.080 16.631 -6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.744 16.869 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.124 17.671 -6.031 1.00 0.00 H new ATOM 448 N LYS A 28 6.884 8.793 -1.700 1.00 0.00 N ATOM 449 CA LYS A 28 6.777 7.453 -1.097 1.00 0.00 C ATOM 450 C LYS A 28 5.917 6.509 -1.954 1.00 0.00 C ATOM 451 O LYS A 28 4.777 6.832 -2.281 1.00 0.00 O ATOM 452 CB LYS A 28 6.202 7.572 0.330 1.00 0.00 C ATOM 453 CG LYS A 28 6.861 8.671 1.182 1.00 0.00 C ATOM 454 CD LYS A 28 5.959 9.916 1.295 1.00 0.00 C ATOM 455 CE LYS A 28 6.795 11.093 1.810 1.00 0.00 C ATOM 456 NZ LYS A 28 6.088 12.403 1.714 1.00 0.00 N ATOM 0 H LYS A 28 5.979 9.237 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 28 7.776 7.020 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.132 7.771 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.318 6.615 0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.073 8.282 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.817 8.952 0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.527 10.157 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.129 9.719 1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.067 10.910 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.724 11.146 1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.705 13.158 2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.851 12.598 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.215 12.368 2.278 1.00 0.00 H new ATOM 470 N PHE A 29 6.437 5.319 -2.268 1.00 0.00 N ATOM 471 CA PHE A 29 5.736 4.260 -2.998 1.00 0.00 C ATOM 472 C PHE A 29 6.420 2.894 -2.873 1.00 0.00 C ATOM 473 O PHE A 29 7.592 2.802 -2.512 1.00 0.00 O ATOM 474 CB PHE A 29 5.540 4.662 -4.475 1.00 0.00 C ATOM 475 CG PHE A 29 6.802 4.997 -5.252 1.00 0.00 C ATOM 476 CD1 PHE A 29 7.641 3.972 -5.732 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.121 6.342 -5.524 1.00 0.00 C ATOM 478 CE1 PHE A 29 8.799 4.293 -6.464 1.00 0.00 C ATOM 479 CE2 PHE A 29 8.271 6.660 -6.267 1.00 0.00 C ATOM 480 CZ PHE A 29 9.114 5.636 -6.734 1.00 0.00 C ATOM 0 H PHE A 29 7.389 5.058 -2.012 1.00 0.00 H new ATOM 0 HA PHE A 29 4.756 4.147 -2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.029 3.847 -4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.877 5.526 -4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.395 2.938 -5.538 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.480 7.131 -5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.447 3.506 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.507 7.692 -6.479 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.001 5.881 -7.299 1.00 0.00 H new ATOM 490 N ILE A 30 5.685 1.835 -3.209 1.00 0.00 N ATOM 491 CA ILE A 30 6.152 0.438 -3.268 1.00 0.00 C ATOM 492 C ILE A 30 5.529 -0.278 -4.473 1.00 0.00 C ATOM 493 O ILE A 30 4.456 0.106 -4.931 1.00 0.00 O ATOM 494 CB ILE A 30 5.846 -0.304 -1.941 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.329 -0.458 -1.687 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.508 0.411 -0.751 1.00 0.00 C ATOM 497 CD1 ILE A 30 3.995 -1.055 -0.317 1.00 0.00 C ATOM 0 H ILE A 30 4.701 1.925 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 30 7.234 0.435 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 30 6.266 -1.305 -2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.853 0.519 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.901 -1.091 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.280 -0.127 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.588 0.438 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.126 1.429 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.913 -1.134 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.441 -2.046 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.392 -0.411 0.467 1.00 0.00 H new ATOM 509 N ILE A 31 6.179 -1.321 -4.987 1.00 0.00 N ATOM 510 CA ILE A 31 5.693 -2.146 -6.101 1.00 0.00 C ATOM 511 C ILE A 31 5.318 -3.525 -5.561 1.00 0.00 C ATOM 512 O ILE A 31 6.128 -4.179 -4.899 1.00 0.00 O ATOM 513 CB ILE A 31 6.747 -2.275 -7.227 1.00 0.00 C ATOM 514 CG1 ILE A 31 7.349 -0.897 -7.595 1.00 0.00 C ATOM 515 CG2 ILE A 31 6.105 -2.962 -8.454 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.361 -0.921 -8.746 1.00 0.00 C ATOM 0 H ILE A 31 7.085 -1.627 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 31 4.820 -1.662 -6.539 1.00 0.00 H new ATOM 0 HB ILE A 31 7.572 -2.892 -6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.536 -0.221 -7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.835 -0.482 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.846 -3.054 -9.248 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.751 -3.953 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.265 -2.364 -8.808 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.727 0.089 -8.930 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.198 -1.567 -8.481 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.879 -1.302 -9.646 1.00 0.00 H new ATOM 528 N ALA A 32 4.113 -3.984 -5.882 1.00 0.00 N ATOM 529 CA ALA A 32 3.588 -5.286 -5.497 1.00 0.00 C ATOM 530 C ALA A 32 3.184 -6.107 -6.726 1.00 0.00 C ATOM 531 O ALA A 32 2.643 -5.569 -7.693 1.00 0.00 O ATOM 532 CB ALA A 32 2.402 -5.040 -4.564 1.00 0.00 C ATOM 0 H ALA A 32 3.453 -3.439 -6.437 1.00 0.00 H new ATOM 0 HA ALA A 32 4.352 -5.870 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.980 -5.995 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.738 -4.488 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.641 -4.461 -5.087 1.00 0.00 H new ATOM 538 N ASN A 33 3.415 -7.419 -6.688 1.00 0.00 N ATOM 539 CA ASN A 33 2.945 -8.342 -7.715 1.00 0.00 C ATOM 540 C ASN A 33 1.402 -8.422 -7.739 1.00 0.00 C ATOM 541 O ASN A 33 0.793 -8.717 -6.715 1.00 0.00 O ATOM 542 CB ASN A 33 3.571 -9.710 -7.417 1.00 0.00 C ATOM 543 CG ASN A 33 3.296 -10.678 -8.547 1.00 0.00 C ATOM 544 OD1 ASN A 33 2.233 -11.279 -8.618 1.00 0.00 O ATOM 545 ND2 ASN A 33 4.214 -10.787 -9.481 1.00 0.00 N ATOM 0 H ASN A 33 3.937 -7.872 -5.938 1.00 0.00 H new ATOM 0 HA ASN A 33 3.245 -7.994 -8.703 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.647 -9.601 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.167 -10.106 -6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.049 -11.384 -10.291 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.092 -10.274 -9.396 1.00 0.00 H new ATOM 552 N ALA A 34 0.765 -8.208 -8.898 1.00 0.00 N ATOM 553 CA ALA A 34 -0.704 -8.256 -9.024 1.00 0.00 C ATOM 554 C ALA A 34 -1.271 -9.686 -9.150 1.00 0.00 C ATOM 555 O ALA A 34 -2.436 -9.921 -8.826 1.00 0.00 O ATOM 556 CB ALA A 34 -1.116 -7.405 -10.234 1.00 0.00 C ATOM 0 H ALA A 34 1.247 -7.998 -9.772 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.127 -7.857 -8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.200 -7.429 -10.343 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.789 -6.376 -10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.652 -7.805 -11.135 1.00 0.00 H new ATOM 562 N ARG A 35 -0.458 -10.637 -9.640 1.00 0.00 N ATOM 563 CA ARG A 35 -0.873 -12.018 -9.944 1.00 0.00 C ATOM 564 C ARG A 35 -0.936 -12.916 -8.692 1.00 0.00 C ATOM 565 O ARG A 35 -1.835 -13.750 -8.577 1.00 0.00 O ATOM 566 CB ARG A 35 0.072 -12.622 -11.005 1.00 0.00 C ATOM 567 CG ARG A 35 0.256 -11.775 -12.281 1.00 0.00 C ATOM 568 CD ARG A 35 -1.043 -11.433 -13.022 1.00 0.00 C ATOM 569 NE ARG A 35 -1.720 -12.635 -13.544 1.00 0.00 N ATOM 570 CZ ARG A 35 -2.899 -12.670 -14.157 1.00 0.00 C ATOM 571 NH1 ARG A 35 -3.609 -11.580 -14.373 1.00 0.00 N ATOM 572 NH2 ARG A 35 -3.385 -13.819 -14.572 1.00 0.00 N ATOM 0 H ARG A 35 0.527 -10.464 -9.840 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.888 -11.975 -10.338 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.050 -12.780 -10.549 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.309 -13.602 -11.291 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.760 -10.846 -12.014 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.916 -12.311 -12.963 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.716 -10.904 -12.347 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.821 -10.756 -13.847 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.237 -13.525 -13.423 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.257 -10.673 -14.066 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.510 -11.644 -14.847 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.858 -14.679 -14.423 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.289 -13.850 -15.043 1.00 0.00 H new ATOM 586 N VAL A 36 -0.010 -12.732 -7.744 1.00 0.00 N ATOM 587 CA VAL A 36 0.008 -13.396 -6.422 1.00 0.00 C ATOM 588 C VAL A 36 -1.152 -12.872 -5.562 1.00 0.00 C ATOM 589 O VAL A 36 -1.335 -11.663 -5.448 1.00 0.00 O ATOM 590 CB VAL A 36 1.374 -13.189 -5.716 1.00 0.00 C ATOM 591 CG1 VAL A 36 1.369 -13.620 -4.238 1.00 0.00 C ATOM 592 CG2 VAL A 36 2.480 -13.972 -6.444 1.00 0.00 C ATOM 0 H VAL A 36 0.777 -12.096 -7.874 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.123 -14.469 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 36 1.565 -12.117 -5.753 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.355 -13.448 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.627 -13.038 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.122 -14.679 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.431 -13.816 -5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.237 -15.034 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.557 -13.621 -7.473 1.00 0.00 H new ATOM 602 N GLU A 37 -1.913 -13.781 -4.940 1.00 0.00 N ATOM 603 CA GLU A 37 -3.172 -13.476 -4.237 1.00 0.00 C ATOM 604 C GLU A 37 -2.997 -12.471 -3.080 1.00 0.00 C ATOM 605 O GLU A 37 -3.763 -11.514 -2.967 1.00 0.00 O ATOM 606 CB GLU A 37 -3.784 -14.797 -3.735 1.00 0.00 C ATOM 607 CG GLU A 37 -5.174 -14.621 -3.111 1.00 0.00 C ATOM 608 CD GLU A 37 -5.766 -15.979 -2.706 1.00 0.00 C ATOM 609 OE1 GLU A 37 -5.508 -16.443 -1.568 1.00 0.00 O ATOM 610 OE2 GLU A 37 -6.498 -16.595 -3.517 1.00 0.00 O ATOM 0 H GLU A 37 -1.668 -14.771 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.844 -12.989 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.853 -15.497 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.116 -15.242 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.106 -13.974 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.837 -14.128 -3.822 1.00 0.00 H new ATOM 617 N ASN A 38 -1.962 -12.647 -2.247 1.00 0.00 N ATOM 618 CA ASN A 38 -1.653 -11.737 -1.130 1.00 0.00 C ATOM 619 C ASN A 38 -1.028 -10.392 -1.575 1.00 0.00 C ATOM 620 O ASN A 38 -0.886 -9.490 -0.751 1.00 0.00 O ATOM 621 CB ASN A 38 -0.777 -12.472 -0.098 1.00 0.00 C ATOM 622 CG ASN A 38 0.602 -12.865 -0.625 1.00 0.00 C ATOM 623 OD1 ASN A 38 1.429 -12.020 -0.934 1.00 0.00 O ATOM 624 ND2 ASN A 38 0.879 -14.149 -0.764 1.00 0.00 N ATOM 0 H ASN A 38 -1.311 -13.428 -2.328 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.598 -11.457 -0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.653 -11.835 0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.298 -13.370 0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.786 -14.438 -1.130 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.186 -14.851 -0.505 1.00 0.00 H new ATOM 631 N CYS A 39 -0.650 -10.252 -2.855 1.00 0.00 N ATOM 632 CA CYS A 39 0.023 -9.078 -3.432 1.00 0.00 C ATOM 633 C CYS A 39 1.314 -8.712 -2.670 1.00 0.00 C ATOM 634 O CYS A 39 1.414 -7.658 -2.039 1.00 0.00 O ATOM 635 CB CYS A 39 -0.974 -7.913 -3.571 1.00 0.00 C ATOM 636 SG CYS A 39 -2.308 -8.361 -4.722 1.00 0.00 S ATOM 0 H CYS A 39 -0.812 -10.985 -3.546 1.00 0.00 H new ATOM 0 HA CYS A 39 0.362 -9.325 -4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.393 -7.665 -2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.457 -7.023 -3.931 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.114 -9.569 -5.162 1.00 0.00 H new ATOM 642 N ALA A 40 2.304 -9.611 -2.701 1.00 0.00 N ATOM 643 CA ALA A 40 3.596 -9.418 -2.041 1.00 0.00 C ATOM 644 C ALA A 40 4.330 -8.172 -2.576 1.00 0.00 C ATOM 645 O ALA A 40 4.412 -7.989 -3.793 1.00 0.00 O ATOM 646 CB ALA A 40 4.447 -10.682 -2.225 1.00 0.00 C ATOM 0 H ALA A 40 2.228 -10.502 -3.191 1.00 0.00 H new ATOM 0 HA ALA A 40 3.425 -9.247 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.411 -10.546 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.933 -11.535 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.602 -10.865 -3.288 1.00 0.00 H new ATOM 652 N VAL A 41 4.904 -7.355 -1.684 1.00 0.00 N ATOM 653 CA VAL A 41 5.833 -6.271 -2.070 1.00 0.00 C ATOM 654 C VAL A 41 7.083 -6.900 -2.695 1.00 0.00 C ATOM 655 O VAL A 41 7.795 -7.659 -2.037 1.00 0.00 O ATOM 656 CB VAL A 41 6.236 -5.331 -0.902 1.00 0.00 C ATOM 657 CG1 VAL A 41 7.112 -4.174 -1.400 1.00 0.00 C ATOM 658 CG2 VAL A 41 4.988 -4.738 -0.225 1.00 0.00 C ATOM 0 H VAL A 41 4.743 -7.421 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 41 5.306 -5.637 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 41 6.798 -5.931 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.379 -3.532 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.019 -4.574 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.561 -3.593 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.293 -4.082 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.415 -4.166 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.370 -5.545 0.170 1.00 0.00 H new ATOM 668 N ILE A 42 7.333 -6.580 -3.966 1.00 0.00 N ATOM 669 CA ILE A 42 8.509 -7.038 -4.733 1.00 0.00 C ATOM 670 C ILE A 42 9.604 -5.971 -4.813 1.00 0.00 C ATOM 671 O ILE A 42 10.765 -6.303 -5.057 1.00 0.00 O ATOM 672 CB ILE A 42 8.108 -7.506 -6.153 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.327 -6.438 -6.952 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.322 -8.820 -6.043 1.00 0.00 C ATOM 675 CD1 ILE A 42 7.088 -6.815 -8.416 1.00 0.00 C ATOM 0 H ILE A 42 6.712 -5.981 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 42 8.920 -7.889 -4.189 1.00 0.00 H new ATOM 0 HB ILE A 42 9.023 -7.672 -6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.365 -6.267 -6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.875 -5.496 -6.914 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.035 -9.157 -7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.945 -9.578 -5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.426 -8.659 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.535 -6.017 -8.911 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.046 -6.957 -8.916 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.513 -7.740 -8.464 1.00 0.00 H new ATOM 687 N TYR A 43 9.251 -4.704 -4.580 1.00 0.00 N ATOM 688 CA TYR A 43 10.185 -3.580 -4.562 1.00 0.00 C ATOM 689 C TYR A 43 9.656 -2.422 -3.708 1.00 0.00 C ATOM 690 O TYR A 43 8.454 -2.171 -3.666 1.00 0.00 O ATOM 691 CB TYR A 43 10.462 -3.118 -6.002 1.00 0.00 C ATOM 692 CG TYR A 43 11.750 -2.331 -6.139 1.00 0.00 C ATOM 693 CD1 TYR A 43 12.980 -3.010 -6.238 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.727 -0.922 -6.108 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.187 -2.286 -6.307 1.00 0.00 C ATOM 696 CE2 TYR A 43 12.930 -0.194 -6.168 1.00 0.00 C ATOM 697 CZ TYR A 43 14.165 -0.873 -6.267 1.00 0.00 C ATOM 698 OH TYR A 43 15.329 -0.163 -6.305 1.00 0.00 O ATOM 0 H TYR A 43 8.287 -4.427 -4.395 1.00 0.00 H new ATOM 0 HA TYR A 43 11.118 -3.913 -4.107 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.505 -3.990 -6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.630 -2.504 -6.346 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.998 -4.090 -6.261 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.784 -0.400 -6.038 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.128 -2.810 -6.390 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.909 0.885 -6.138 1.00 0.00 H new ATOM 0 HH TYR A 43 15.129 0.796 -6.270 1.00 0.00 H new ATOM 708 N CYS A 44 10.543 -1.689 -3.043 1.00 0.00 N ATOM 709 CA CYS A 44 10.201 -0.530 -2.206 1.00 0.00 C ATOM 710 C CYS A 44 11.066 0.698 -2.546 1.00 0.00 C ATOM 711 O CYS A 44 12.232 0.533 -2.902 1.00 0.00 O ATOM 712 CB CYS A 44 10.347 -0.897 -0.713 1.00 0.00 C ATOM 713 SG CYS A 44 10.192 -2.671 -0.336 1.00 0.00 S ATOM 0 H CYS A 44 11.544 -1.884 -3.067 1.00 0.00 H new ATOM 0 HA CYS A 44 9.164 -0.263 -2.412 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.319 -0.551 -0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.592 -0.353 -0.146 1.00 0.00 H new ATOM 0 HG CYS A 44 10.334 -2.857 0.943 1.00 0.00 H new ATOM 719 N ASN A 45 10.534 1.915 -2.375 1.00 0.00 N ATOM 720 CA ASN A 45 11.342 3.151 -2.450 1.00 0.00 C ATOM 721 C ASN A 45 12.225 3.321 -1.182 1.00 0.00 C ATOM 722 O ASN A 45 12.376 2.393 -0.389 1.00 0.00 O ATOM 723 CB ASN A 45 10.385 4.341 -2.699 1.00 0.00 C ATOM 724 CG ASN A 45 11.010 5.605 -3.298 1.00 0.00 C ATOM 725 OD1 ASN A 45 12.219 5.770 -3.393 1.00 0.00 O ATOM 726 ND2 ASN A 45 10.181 6.555 -3.677 1.00 0.00 N ATOM 0 H ASN A 45 9.545 2.076 -2.183 1.00 0.00 H new ATOM 0 HA ASN A 45 12.045 3.101 -3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.589 4.006 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.918 4.607 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.546 7.431 -4.051 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.174 6.415 -3.597 1.00 0.00 H new ATOM 733 N ASP A 46 12.763 4.517 -0.939 1.00 0.00 N ATOM 734 CA ASP A 46 13.435 4.901 0.315 1.00 0.00 C ATOM 735 C ASP A 46 12.594 5.872 1.168 1.00 0.00 C ATOM 736 O ASP A 46 12.768 5.925 2.386 1.00 0.00 O ATOM 737 CB ASP A 46 14.807 5.504 -0.016 1.00 0.00 C ATOM 738 CG ASP A 46 15.819 4.408 -0.390 1.00 0.00 C ATOM 739 OD1 ASP A 46 15.915 4.056 -1.588 1.00 0.00 O ATOM 740 OD2 ASP A 46 16.529 3.913 0.519 1.00 0.00 O ATOM 0 H ASP A 46 12.746 5.271 -1.626 1.00 0.00 H new ATOM 0 HA ASP A 46 13.562 4.003 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.708 6.209 -0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.176 6.067 0.841 1.00 0.00 H new ATOM 745 N GLY A 47 11.635 6.589 0.561 1.00 0.00 N ATOM 746 CA GLY A 47 10.784 7.560 1.256 1.00 0.00 C ATOM 747 C GLY A 47 9.764 6.894 2.173 1.00 0.00 C ATOM 748 O GLY A 47 9.542 7.350 3.292 1.00 0.00 O ATOM 0 H GLY A 47 11.429 6.508 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.410 8.232 1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.261 8.172 0.521 1.00 0.00 H new ATOM 752 N PHE A 48 9.169 5.783 1.720 1.00 0.00 N ATOM 753 CA PHE A 48 8.140 5.041 2.463 1.00 0.00 C ATOM 754 C PHE A 48 8.686 4.434 3.779 1.00 0.00 C ATOM 755 O PHE A 48 7.972 4.347 4.774 1.00 0.00 O ATOM 756 CB PHE A 48 7.525 3.967 1.532 1.00 0.00 C ATOM 757 CG PHE A 48 8.200 2.617 1.615 1.00 0.00 C ATOM 758 CD1 PHE A 48 9.555 2.449 1.275 1.00 0.00 C ATOM 759 CD2 PHE A 48 7.497 1.570 2.221 1.00 0.00 C ATOM 760 CE1 PHE A 48 10.230 1.280 1.673 1.00 0.00 C ATOM 761 CE2 PHE A 48 8.154 0.388 2.561 1.00 0.00 C ATOM 762 CZ PHE A 48 9.532 0.250 2.325 1.00 0.00 C ATOM 0 H PHE A 48 9.391 5.368 0.815 1.00 0.00 H new ATOM 0 HA PHE A 48 7.357 5.735 2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.470 3.849 1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.574 4.323 0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.073 3.212 0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.442 1.678 2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.287 1.175 1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.601 -0.425 3.008 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.051 -0.642 2.643 1.00 0.00 H new ATOM 772 N CYS A 49 9.973 4.065 3.799 1.00 0.00 N ATOM 773 CA CYS A 49 10.690 3.551 4.969 1.00 0.00 C ATOM 774 C CYS A 49 10.703 4.587 6.104 1.00 0.00 C ATOM 775 O CYS A 49 10.239 4.297 7.205 1.00 0.00 O ATOM 776 CB CYS A 49 12.091 3.134 4.486 1.00 0.00 C ATOM 777 SG CYS A 49 13.157 2.634 5.864 1.00 0.00 S ATOM 0 H CYS A 49 10.564 4.119 2.969 1.00 0.00 H new ATOM 0 HA CYS A 49 10.195 2.681 5.400 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.001 2.310 3.778 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.553 3.964 3.952 1.00 0.00 H new ATOM 0 HG CYS A 49 12.449 2.004 6.754 1.00 0.00 H new ATOM 783 N GLU A 50 11.153 5.811 5.815 1.00 0.00 N ATOM 784 CA GLU A 50 11.185 6.915 6.786 1.00 0.00 C ATOM 785 C GLU A 50 9.780 7.444 7.134 1.00 0.00 C ATOM 786 O GLU A 50 9.568 7.938 8.244 1.00 0.00 O ATOM 787 CB GLU A 50 12.065 8.059 6.259 1.00 0.00 C ATOM 788 CG GLU A 50 13.529 7.628 6.114 1.00 0.00 C ATOM 789 CD GLU A 50 14.431 8.836 5.825 1.00 0.00 C ATOM 790 OE1 GLU A 50 14.557 9.242 4.645 1.00 0.00 O ATOM 791 OE2 GLU A 50 15.029 9.391 6.778 1.00 0.00 O ATOM 0 H GLU A 50 11.509 6.069 4.894 1.00 0.00 H new ATOM 0 HA GLU A 50 11.612 6.516 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.687 8.394 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.002 8.909 6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.859 7.134 7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.620 6.900 5.307 1.00 0.00 H new ATOM 798 N LEU A 51 8.810 7.301 6.219 1.00 0.00 N ATOM 799 CA LEU A 51 7.397 7.634 6.450 1.00 0.00 C ATOM 800 C LEU A 51 6.776 6.795 7.577 1.00 0.00 C ATOM 801 O LEU A 51 5.940 7.307 8.320 1.00 0.00 O ATOM 802 CB LEU A 51 6.633 7.420 5.124 1.00 0.00 C ATOM 803 CG LEU A 51 5.170 7.896 5.102 1.00 0.00 C ATOM 804 CD1 LEU A 51 5.104 9.421 5.137 1.00 0.00 C ATOM 805 CD2 LEU A 51 4.427 7.333 3.886 1.00 0.00 C ATOM 0 H LEU A 51 8.989 6.944 5.280 1.00 0.00 H new ATOM 0 HA LEU A 51 7.326 8.673 6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.173 7.935 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.652 6.357 4.885 1.00 0.00 H new ATOM 0 HG LEU A 51 4.672 7.516 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.062 9.741 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.581 9.785 6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.622 9.828 4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.395 7.685 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.917 7.669 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.439 6.244 3.924 1.00 0.00 H new ATOM 817 N CYS A 52 7.136 5.509 7.665 1.00 0.00 N ATOM 818 CA CYS A 52 6.516 4.525 8.570 1.00 0.00 C ATOM 819 C CYS A 52 7.380 4.133 9.783 1.00 0.00 C ATOM 820 O CYS A 52 6.836 3.903 10.867 1.00 0.00 O ATOM 821 CB CYS A 52 6.132 3.285 7.744 1.00 0.00 C ATOM 822 SG CYS A 52 5.135 3.738 6.289 1.00 0.00 S ATOM 0 H CYS A 52 7.884 5.111 7.097 1.00 0.00 H new ATOM 0 HA CYS A 52 5.636 4.997 9.007 1.00 0.00 H new ATOM 0 HB2 CYS A 52 7.035 2.767 7.421 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.572 2.589 8.369 1.00 0.00 H new ATOM 0 HG CYS A 52 5.923 4.074 5.311 1.00 0.00 H new ATOM 828 N GLY A 53 8.702 4.050 9.605 1.00 0.00 N ATOM 829 CA GLY A 53 9.684 3.686 10.635 1.00 0.00 C ATOM 830 C GLY A 53 10.097 2.210 10.618 1.00 0.00 C ATOM 831 O GLY A 53 10.766 1.766 11.551 1.00 0.00 O ATOM 0 H GLY A 53 9.137 4.242 8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.574 4.302 10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.271 3.924 11.615 1.00 0.00 H new ATOM 835 N TYR A 54 9.716 1.450 9.582 1.00 0.00 N ATOM 836 CA TYR A 54 10.204 0.085 9.338 1.00 0.00 C ATOM 837 C TYR A 54 11.485 0.081 8.465 1.00 0.00 C ATOM 838 O TYR A 54 12.290 1.005 8.555 1.00 0.00 O ATOM 839 CB TYR A 54 9.037 -0.803 8.863 1.00 0.00 C ATOM 840 CG TYR A 54 8.117 -0.347 7.741 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.532 0.543 6.731 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.801 -0.854 7.723 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.630 0.929 5.720 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.899 -0.479 6.712 1.00 0.00 C ATOM 845 CZ TYR A 54 6.312 0.413 5.700 1.00 0.00 C ATOM 846 OH TYR A 54 5.447 0.764 4.710 1.00 0.00 O ATOM 0 H TYR A 54 9.050 1.771 8.879 1.00 0.00 H new ATOM 0 HA TYR A 54 10.549 -0.375 10.264 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.465 -1.758 8.558 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.409 -0.998 9.732 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.541 0.929 6.732 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.482 -1.539 8.495 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.946 1.623 4.955 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.893 -0.872 6.710 1.00 0.00 H new ATOM 0 HH TYR A 54 5.121 1.675 4.868 1.00 0.00 H new ATOM 856 N SER A 55 11.698 -0.943 7.633 1.00 0.00 N ATOM 857 CA SER A 55 12.829 -1.076 6.687 1.00 0.00 C ATOM 858 C SER A 55 12.509 -2.118 5.605 1.00 0.00 C ATOM 859 O SER A 55 11.659 -2.989 5.823 1.00 0.00 O ATOM 860 CB SER A 55 14.119 -1.501 7.422 1.00 0.00 C ATOM 861 OG SER A 55 14.763 -0.426 8.098 1.00 0.00 O ATOM 0 H SER A 55 11.064 -1.741 7.593 1.00 0.00 H new ATOM 0 HA SER A 55 12.984 -0.101 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.877 -2.282 8.143 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.812 -1.936 6.702 1.00 0.00 H new ATOM 0 HG SER A 55 14.094 0.236 8.371 1.00 0.00 H new ATOM 867 N ARG A 56 13.223 -2.101 4.466 1.00 0.00 N ATOM 868 CA ARG A 56 13.027 -3.078 3.376 1.00 0.00 C ATOM 869 C ARG A 56 13.125 -4.523 3.888 1.00 0.00 C ATOM 870 O ARG A 56 12.241 -5.314 3.597 1.00 0.00 O ATOM 871 CB ARG A 56 13.985 -2.806 2.195 1.00 0.00 C ATOM 872 CG ARG A 56 13.768 -3.818 1.049 1.00 0.00 C ATOM 873 CD ARG A 56 14.684 -3.618 -0.163 1.00 0.00 C ATOM 874 NE ARG A 56 14.249 -2.521 -1.052 1.00 0.00 N ATOM 875 CZ ARG A 56 14.967 -2.054 -2.075 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.132 -2.576 -2.400 1.00 0.00 N ATOM 877 NH2 ARG A 56 14.536 -1.052 -2.809 1.00 0.00 N ATOM 0 H ARG A 56 13.951 -1.413 4.274 1.00 0.00 H new ATOM 0 HA ARG A 56 12.014 -2.950 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.828 -1.794 1.823 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.017 -2.862 2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.918 -4.825 1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.731 -3.755 0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.696 -3.414 0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.725 -4.545 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 56 13.341 -2.093 -0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.508 -3.358 -1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.658 -2.198 -3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.637 -0.617 -2.601 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.100 -0.710 -3.587 1.00 0.00 H new ATOM 891 N ALA A 57 14.099 -4.851 4.740 1.00 0.00 N ATOM 892 CA ALA A 57 14.238 -6.178 5.366 1.00 0.00 C ATOM 893 C ALA A 57 12.962 -6.674 6.091 1.00 0.00 C ATOM 894 O ALA A 57 12.704 -7.879 6.126 1.00 0.00 O ATOM 895 CB ALA A 57 15.428 -6.110 6.332 1.00 0.00 C ATOM 0 H ALA A 57 14.827 -4.195 5.022 1.00 0.00 H new ATOM 0 HA ALA A 57 14.405 -6.911 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.561 -7.078 6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 57 16.332 -5.854 5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.239 -5.350 7.090 1.00 0.00 H new ATOM 901 N GLU A 58 12.154 -5.751 6.629 1.00 0.00 N ATOM 902 CA GLU A 58 10.885 -6.038 7.318 1.00 0.00 C ATOM 903 C GLU A 58 9.679 -5.971 6.366 1.00 0.00 C ATOM 904 O GLU A 58 8.749 -6.764 6.503 1.00 0.00 O ATOM 905 CB GLU A 58 10.669 -5.026 8.456 1.00 0.00 C ATOM 906 CG GLU A 58 11.876 -4.883 9.388 1.00 0.00 C ATOM 907 CD GLU A 58 12.235 -6.200 10.099 1.00 0.00 C ATOM 908 OE1 GLU A 58 11.393 -6.735 10.858 1.00 0.00 O ATOM 909 OE2 GLU A 58 13.372 -6.698 9.920 1.00 0.00 O ATOM 0 H GLU A 58 12.370 -4.755 6.597 1.00 0.00 H new ATOM 0 HA GLU A 58 10.956 -7.052 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.436 -4.052 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.802 -5.331 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.736 -4.539 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.665 -4.117 10.135 1.00 0.00 H new ATOM 916 N VAL A 59 9.698 -5.034 5.408 1.00 0.00 N ATOM 917 CA VAL A 59 8.661 -4.834 4.371 1.00 0.00 C ATOM 918 C VAL A 59 8.713 -5.944 3.296 1.00 0.00 C ATOM 919 O VAL A 59 7.717 -6.204 2.618 1.00 0.00 O ATOM 920 CB VAL A 59 8.800 -3.408 3.762 1.00 0.00 C ATOM 921 CG1 VAL A 59 7.920 -3.198 2.514 1.00 0.00 C ATOM 922 CG2 VAL A 59 8.474 -2.365 4.843 1.00 0.00 C ATOM 0 H VAL A 59 10.464 -4.365 5.326 1.00 0.00 H new ATOM 0 HA VAL A 59 7.676 -4.909 4.832 1.00 0.00 H new ATOM 0 HB VAL A 59 9.830 -3.289 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.061 -2.185 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.203 -3.916 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.873 -3.344 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.569 -1.364 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.454 -2.514 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.167 -2.476 5.677 1.00 0.00 H new ATOM 932 N MET A 60 9.847 -6.639 3.150 1.00 0.00 N ATOM 933 CA MET A 60 10.020 -7.729 2.176 1.00 0.00 C ATOM 934 C MET A 60 9.115 -8.931 2.486 1.00 0.00 C ATOM 935 O MET A 60 8.996 -9.355 3.636 1.00 0.00 O ATOM 936 CB MET A 60 11.498 -8.154 2.098 1.00 0.00 C ATOM 937 CG MET A 60 12.274 -7.250 1.129 1.00 0.00 C ATOM 938 SD MET A 60 11.922 -7.490 -0.636 1.00 0.00 S ATOM 939 CE MET A 60 12.724 -9.092 -0.908 1.00 0.00 C ATOM 0 H MET A 60 10.681 -6.460 3.710 1.00 0.00 H new ATOM 0 HA MET A 60 9.716 -7.348 1.201 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.948 -8.104 3.089 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.566 -9.191 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.062 -6.211 1.384 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.340 -7.407 1.291 1.00 0.00 H new ATOM 0 HE1 MET A 60 12.742 -9.314 -1.975 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.745 -9.057 -0.528 1.00 0.00 H new ATOM 0 HE3 MET A 60 12.169 -9.870 -0.385 1.00 0.00 H new ATOM 949 N GLN A 61 8.470 -9.462 1.436 1.00 0.00 N ATOM 950 CA GLN A 61 7.547 -10.613 1.465 1.00 0.00 C ATOM 951 C GLN A 61 6.203 -10.311 2.170 1.00 0.00 C ATOM 952 O GLN A 61 5.398 -11.214 2.406 1.00 0.00 O ATOM 953 CB GLN A 61 8.275 -11.862 2.027 1.00 0.00 C ATOM 954 CG GLN A 61 7.746 -13.224 1.532 1.00 0.00 C ATOM 955 CD GLN A 61 7.997 -13.519 0.047 1.00 0.00 C ATOM 956 OE1 GLN A 61 8.491 -12.704 -0.725 1.00 0.00 O ATOM 957 NE2 GLN A 61 7.663 -14.706 -0.419 1.00 0.00 N ATOM 0 H GLN A 61 8.582 -9.083 0.496 1.00 0.00 H new ATOM 0 HA GLN A 61 7.256 -10.832 0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.332 -11.789 1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.208 -11.840 3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.207 -14.013 2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.673 -13.269 1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.251 -15.401 0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.817 -14.930 -1.402 1.00 0.00 H new ATOM 966 N ARG A 62 5.929 -9.036 2.477 1.00 0.00 N ATOM 967 CA ARG A 62 4.671 -8.584 3.092 1.00 0.00 C ATOM 968 C ARG A 62 3.585 -8.379 2.028 1.00 0.00 C ATOM 969 O ARG A 62 3.926 -7.992 0.902 1.00 0.00 O ATOM 970 CB ARG A 62 4.862 -7.258 3.852 1.00 0.00 C ATOM 971 CG ARG A 62 5.830 -7.337 5.035 1.00 0.00 C ATOM 972 CD ARG A 62 5.350 -8.196 6.208 1.00 0.00 C ATOM 973 NE ARG A 62 6.392 -8.226 7.246 1.00 0.00 N ATOM 974 CZ ARG A 62 6.302 -8.731 8.469 1.00 0.00 C ATOM 975 NH1 ARG A 62 5.200 -9.297 8.919 1.00 0.00 N ATOM 976 NH2 ARG A 62 7.346 -8.666 9.265 1.00 0.00 N ATOM 0 H ARG A 62 6.586 -8.276 2.302 1.00 0.00 H new ATOM 0 HA ARG A 62 4.364 -9.362 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.223 -6.503 3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.892 -6.919 4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.782 -7.732 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.020 -6.327 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.425 -7.790 6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.131 -9.208 5.867 1.00 0.00 H new ATOM 0 HE ARG A 62 7.289 -7.810 6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.377 -9.358 8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.170 -9.674 9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.209 -8.232 8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.293 -9.050 10.209 1.00 0.00 H new ATOM 990 N PRO A 63 2.296 -8.546 2.381 1.00 0.00 N ATOM 991 CA PRO A 63 1.185 -8.123 1.544 1.00 0.00 C ATOM 992 C PRO A 63 1.133 -6.591 1.531 1.00 0.00 C ATOM 993 O PRO A 63 1.205 -5.949 2.580 1.00 0.00 O ATOM 994 CB PRO A 63 -0.059 -8.749 2.179 1.00 0.00 C ATOM 995 CG PRO A 63 0.289 -8.870 3.660 1.00 0.00 C ATOM 996 CD PRO A 63 1.812 -9.016 3.676 1.00 0.00 C ATOM 0 HA PRO A 63 1.272 -8.440 0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.939 -8.124 2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.280 -9.723 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.033 -7.991 4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.199 -9.732 4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.248 -8.432 4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.099 -10.054 3.842 1.00 0.00 H new ATOM 1004 N CYS A 64 1.020 -5.994 0.342 1.00 0.00 N ATOM 1005 CA CYS A 64 1.116 -4.541 0.155 1.00 0.00 C ATOM 1006 C CYS A 64 -0.043 -3.732 0.774 1.00 0.00 C ATOM 1007 O CYS A 64 0.038 -2.506 0.857 1.00 0.00 O ATOM 1008 CB CYS A 64 1.271 -4.281 -1.346 1.00 0.00 C ATOM 1009 SG CYS A 64 -0.263 -4.705 -2.225 1.00 0.00 S ATOM 0 H CYS A 64 0.858 -6.507 -0.525 1.00 0.00 H new ATOM 0 HA CYS A 64 1.986 -4.181 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.517 -3.233 -1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.098 -4.871 -1.740 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.112 -4.476 -3.496 1.00 0.00 H new ATOM 1015 N THR A 65 -1.103 -4.414 1.227 1.00 0.00 N ATOM 1016 CA THR A 65 -2.203 -3.843 2.020 1.00 0.00 C ATOM 1017 C THR A 65 -1.720 -3.270 3.352 1.00 0.00 C ATOM 1018 O THR A 65 -2.362 -2.351 3.861 1.00 0.00 O ATOM 1019 CB THR A 65 -3.278 -4.902 2.288 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.651 -6.051 2.821 1.00 0.00 O ATOM 1021 CG2 THR A 65 -4.020 -5.294 1.010 1.00 0.00 C ATOM 0 H THR A 65 -1.224 -5.411 1.047 1.00 0.00 H new ATOM 0 HA THR A 65 -2.623 -3.027 1.432 1.00 0.00 H new ATOM 0 HB THR A 65 -4.004 -4.485 2.986 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.326 -6.739 3.000 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.773 -6.047 1.243 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.505 -4.414 0.586 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.312 -5.701 0.288 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.601 -3.781 3.896 1.00 0.00 N ATOM 1030 CA CYS A 66 0.053 -3.280 5.112 1.00 0.00 C ATOM 1031 C CYS A 66 -0.918 -3.160 6.307 1.00 0.00 C ATOM 1032 O CYS A 66 -0.928 -2.160 7.024 1.00 0.00 O ATOM 1033 CB CYS A 66 0.826 -1.990 4.775 1.00 0.00 C ATOM 1034 SG CYS A 66 2.201 -2.376 3.649 1.00 0.00 S ATOM 0 H CYS A 66 -0.114 -4.578 3.487 1.00 0.00 H new ATOM 0 HA CYS A 66 0.783 -4.011 5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.157 -1.264 4.312 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.208 -1.534 5.688 1.00 0.00 H new ATOM 0 HG CYS A 66 1.747 -2.507 2.438 1.00 0.00 H new ATOM 1040 N ASP A 67 -1.718 -4.206 6.542 1.00 0.00 N ATOM 1041 CA ASP A 67 -2.734 -4.261 7.607 1.00 0.00 C ATOM 1042 C ASP A 67 -2.136 -4.073 9.016 1.00 0.00 C ATOM 1043 O ASP A 67 -2.812 -3.589 9.925 1.00 0.00 O ATOM 1044 CB ASP A 67 -3.480 -5.598 7.500 1.00 0.00 C ATOM 1045 CG ASP A 67 -4.640 -5.699 8.505 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -5.648 -4.971 8.334 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.553 -6.527 9.443 1.00 0.00 O ATOM 0 H ASP A 67 -1.678 -5.060 5.985 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.425 -3.430 7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.867 -5.716 6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.781 -6.417 7.671 1.00 0.00 H new ATOM 1052 N PHE A 68 -0.840 -4.367 9.172 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.042 -4.110 10.376 1.00 0.00 C ATOM 1054 C PHE A 68 -0.088 -2.638 10.824 1.00 0.00 C ATOM 1055 O PHE A 68 0.108 -2.351 12.007 1.00 0.00 O ATOM 1056 CB PHE A 68 1.424 -4.515 10.118 1.00 0.00 C ATOM 1057 CG PHE A 68 1.604 -5.693 9.182 1.00 0.00 C ATOM 1058 CD1 PHE A 68 1.450 -7.008 9.654 1.00 0.00 C ATOM 1059 CD2 PHE A 68 1.838 -5.456 7.815 1.00 0.00 C ATOM 1060 CE1 PHE A 68 1.525 -8.088 8.758 1.00 0.00 C ATOM 1061 CE2 PHE A 68 1.902 -6.536 6.915 1.00 0.00 C ATOM 1062 CZ PHE A 68 1.743 -7.852 7.389 1.00 0.00 C ATOM 0 H PHE A 68 -0.296 -4.809 8.431 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.476 -4.707 11.178 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.956 -3.657 9.706 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.894 -4.753 11.072 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.274 -7.188 10.704 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.968 -4.446 7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.415 -9.099 9.121 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.073 -6.356 5.864 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.789 -8.682 6.700 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.343 -1.708 9.890 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.441 -0.271 10.165 1.00 0.00 C ATOM 1074 C LEU A 69 -1.787 0.150 10.791 1.00 0.00 C ATOM 1075 O LEU A 69 -1.935 1.309 11.179 1.00 0.00 O ATOM 1076 CB LEU A 69 -0.179 0.525 8.871 1.00 0.00 C ATOM 1077 CG LEU A 69 1.168 0.247 8.169 1.00 0.00 C ATOM 1078 CD1 LEU A 69 1.253 1.146 6.930 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.377 0.483 9.087 1.00 0.00 C ATOM 0 H LEU A 69 -0.489 -1.940 8.908 1.00 0.00 H new ATOM 0 HA LEU A 69 0.321 -0.042 10.910 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.984 0.312 8.167 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.232 1.588 9.104 1.00 0.00 H new ATOM 0 HG LEU A 69 1.202 -0.806 7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.197 0.968 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.425 0.919 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.197 2.191 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.296 0.272 8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.383 1.521 9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.311 -0.176 9.953 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.769 -0.750 10.886 1.00 0.00 N ATOM 1092 CA HIS A 70 -4.051 -0.509 11.544 1.00 0.00 C ATOM 1093 C HIS A 70 -3.891 -0.240 13.055 1.00 0.00 C ATOM 1094 O HIS A 70 -3.094 -0.873 13.758 1.00 0.00 O ATOM 1095 CB HIS A 70 -4.963 -1.718 11.282 1.00 0.00 C ATOM 1096 CG HIS A 70 -6.422 -1.577 11.648 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -7.479 -1.568 10.763 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -6.961 -1.580 12.909 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -8.620 -1.530 11.474 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -8.357 -1.540 12.794 1.00 0.00 N ATOM 0 H HIS A 70 -2.690 -1.690 10.497 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.501 0.393 11.128 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.903 -1.962 10.221 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.559 -2.570 11.828 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.404 -1.608 13.834 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.611 -1.496 11.045 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.036 -1.522 13.555 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.708 0.689 13.546 1.00 0.00 N ATOM 1109 CA GLY A 71 -4.842 1.103 14.947 1.00 0.00 C ATOM 1110 C GLY A 71 -6.275 1.550 15.277 1.00 0.00 C ATOM 1111 O GLY A 71 -7.167 1.386 14.440 1.00 0.00 O ATOM 0 H GLY A 71 -5.338 1.210 12.937 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.560 0.276 15.599 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.150 1.920 15.152 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.522 2.147 16.460 1.00 0.00 N ATOM 1116 CA PRO A 72 -7.866 2.525 16.903 1.00 0.00 C ATOM 1117 C PRO A 72 -8.532 3.600 16.024 1.00 0.00 C ATOM 1118 O PRO A 72 -9.760 3.681 16.006 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.701 2.987 18.357 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.243 3.437 18.436 1.00 0.00 C ATOM 1121 CD PRO A 72 -5.536 2.472 17.485 1.00 0.00 C ATOM 0 HA PRO A 72 -8.545 1.676 16.818 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.384 3.802 18.597 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.909 2.179 19.059 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.123 4.474 18.122 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.852 3.363 19.451 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.650 2.931 17.046 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.204 1.576 18.009 1.00 0.00 H new ATOM 1129 N ARG A 73 -7.751 4.396 15.272 1.00 0.00 N ATOM 1130 CA ARG A 73 -8.261 5.417 14.341 1.00 0.00 C ATOM 1131 C ARG A 73 -8.458 4.903 12.895 1.00 0.00 C ATOM 1132 O ARG A 73 -8.963 5.656 12.060 1.00 0.00 O ATOM 1133 CB ARG A 73 -7.325 6.652 14.380 1.00 0.00 C ATOM 1134 CG ARG A 73 -8.054 7.987 14.620 1.00 0.00 C ATOM 1135 CD ARG A 73 -9.086 8.352 13.541 1.00 0.00 C ATOM 1136 NE ARG A 73 -9.683 9.681 13.776 1.00 0.00 N ATOM 1137 CZ ARG A 73 -10.657 9.991 14.630 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -11.200 9.101 15.437 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -11.108 11.225 14.682 1.00 0.00 N ATOM 0 H ARG A 73 -6.732 4.347 15.295 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.260 5.695 14.678 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.584 6.508 15.167 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.781 6.712 13.437 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.557 7.943 15.586 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.314 8.785 14.682 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.608 8.337 12.562 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.874 7.599 13.523 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.307 10.450 13.221 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.876 8.134 15.422 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.944 9.379 16.077 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.712 11.939 14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.854 11.468 15.334 1.00 0.00 H new ATOM 1153 N THR A 74 -8.040 3.672 12.558 1.00 0.00 N ATOM 1154 CA THR A 74 -8.079 3.127 11.183 1.00 0.00 C ATOM 1155 C THR A 74 -9.514 2.753 10.795 1.00 0.00 C ATOM 1156 O THR A 74 -10.288 2.285 11.628 1.00 0.00 O ATOM 1157 CB THR A 74 -7.095 1.957 11.026 1.00 0.00 C ATOM 1158 OG1 THR A 74 -5.839 2.388 11.486 1.00 0.00 O ATOM 1159 CG2 THR A 74 -6.923 1.528 9.570 1.00 0.00 C ATOM 0 H THR A 74 -7.660 3.015 13.239 1.00 0.00 H new ATOM 0 HA THR A 74 -7.752 3.899 10.487 1.00 0.00 H new ATOM 0 HB THR A 74 -7.489 1.111 11.589 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.408 2.934 10.796 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.218 0.699 9.516 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.886 1.213 9.167 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.543 2.366 8.986 1.00 0.00 H new ATOM 1167 N GLN A 75 -9.879 2.996 9.531 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.257 2.884 9.034 1.00 0.00 C ATOM 1169 C GLN A 75 -11.442 1.556 8.282 1.00 0.00 C ATOM 1170 O GLN A 75 -10.729 1.292 7.310 1.00 0.00 O ATOM 1171 CB GLN A 75 -11.592 4.070 8.105 1.00 0.00 C ATOM 1172 CG GLN A 75 -11.272 5.463 8.673 1.00 0.00 C ATOM 1173 CD GLN A 75 -12.073 5.871 9.911 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -13.212 5.476 10.129 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -11.497 6.696 10.761 1.00 0.00 N ATOM 0 H GLN A 75 -9.214 3.281 8.812 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.937 2.906 9.886 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.046 3.943 7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.654 4.030 7.862 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.211 5.500 8.920 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.443 6.203 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.549 7.029 10.586 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.999 7.002 11.594 1.00 0.00 H new ATOM 1184 N ARG A 76 -12.428 0.738 8.677 1.00 0.00 N ATOM 1185 CA ARG A 76 -12.661 -0.598 8.097 1.00 0.00 C ATOM 1186 C ARG A 76 -12.986 -0.547 6.595 1.00 0.00 C ATOM 1187 O ARG A 76 -12.453 -1.344 5.821 1.00 0.00 O ATOM 1188 CB ARG A 76 -13.781 -1.318 8.879 1.00 0.00 C ATOM 1189 CG ARG A 76 -13.415 -1.652 10.338 1.00 0.00 C ATOM 1190 CD ARG A 76 -12.374 -2.774 10.454 1.00 0.00 C ATOM 1191 NE ARG A 76 -12.014 -3.018 11.862 1.00 0.00 N ATOM 1192 CZ ARG A 76 -11.232 -3.989 12.324 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -10.681 -4.883 11.527 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -10.993 -4.074 13.614 1.00 0.00 N ATOM 0 H ARG A 76 -13.091 0.983 9.412 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.733 -1.162 8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.673 -0.692 8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.036 -2.241 8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.030 -0.756 10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.317 -1.944 10.875 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.769 -3.689 10.012 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.482 -2.507 9.888 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.404 -2.377 12.552 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.850 -4.843 10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.086 -5.615 11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.407 -3.397 14.255 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.394 -4.817 13.974 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.790 0.434 6.154 1.00 0.00 N ATOM 1209 CA ARG A 77 -14.104 0.650 4.726 1.00 0.00 C ATOM 1210 C ARG A 77 -12.881 1.081 3.913 1.00 0.00 C ATOM 1211 O ARG A 77 -12.727 0.633 2.783 1.00 0.00 O ATOM 1212 CB ARG A 77 -15.246 1.673 4.564 1.00 0.00 C ATOM 1213 CG ARG A 77 -16.607 1.198 5.096 1.00 0.00 C ATOM 1214 CD ARG A 77 -17.128 -0.068 4.405 1.00 0.00 C ATOM 1215 NE ARG A 77 -18.501 -0.380 4.840 1.00 0.00 N ATOM 1216 CZ ARG A 77 -19.288 -1.339 4.358 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -18.893 -2.158 3.405 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -20.504 -1.486 4.838 1.00 0.00 N ATOM 0 H ARG A 77 -14.243 1.103 6.776 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.430 -0.311 4.329 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -14.969 2.592 5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.349 1.919 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.524 1.010 6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.337 1.998 4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.108 0.069 3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.471 -0.907 4.633 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.888 0.198 5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.956 -2.069 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.524 -2.881 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.839 -0.867 5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.111 -2.219 4.472 1.00 0.00 H new ATOM 1232 N ALA A 78 -11.977 1.881 4.475 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.746 2.300 3.788 1.00 0.00 C ATOM 1234 C ALA A 78 -9.747 1.142 3.637 1.00 0.00 C ATOM 1235 O ALA A 78 -9.220 0.916 2.549 1.00 0.00 O ATOM 1236 CB ALA A 78 -10.145 3.479 4.556 1.00 0.00 C ATOM 0 H ALA A 78 -12.072 2.259 5.418 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.986 2.613 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.230 3.806 4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.860 4.302 4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.917 3.170 5.576 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.557 0.346 4.697 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.740 -0.873 4.650 1.00 0.00 C ATOM 1244 C ALA A 79 -9.249 -1.871 3.588 1.00 0.00 C ATOM 1245 O ALA A 79 -8.454 -2.552 2.939 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.729 -1.486 6.057 1.00 0.00 C ATOM 0 H ALA A 79 -9.966 0.530 5.613 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.723 -0.623 4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.128 -2.395 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.302 -0.772 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.749 -1.726 6.357 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.568 -1.895 3.356 1.00 0.00 N ATOM 1253 CA ALA A 80 -11.210 -2.661 2.290 1.00 0.00 C ATOM 1254 C ALA A 80 -10.947 -2.050 0.912 1.00 0.00 C ATOM 1255 O ALA A 80 -10.506 -2.760 0.013 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.713 -2.717 2.571 1.00 0.00 C ATOM 0 H ALA A 80 -11.232 -1.367 3.922 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.789 -3.666 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.209 -3.286 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.886 -3.201 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.116 -1.705 2.596 1.00 0.00 H new ATOM 1262 N GLN A 81 -11.161 -0.741 0.733 1.00 0.00 N ATOM 1263 CA GLN A 81 -10.944 -0.094 -0.559 1.00 0.00 C ATOM 1264 C GLN A 81 -9.484 -0.234 -1.029 1.00 0.00 C ATOM 1265 O GLN A 81 -9.267 -0.439 -2.219 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.386 1.376 -0.517 1.00 0.00 C ATOM 1267 CG GLN A 81 -12.870 1.679 -0.241 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.857 0.552 -0.558 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -14.087 0.196 -1.707 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -14.468 -0.050 0.445 1.00 0.00 N ATOM 0 H GLN A 81 -11.484 -0.112 1.468 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.564 -0.607 -1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.795 1.880 0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.125 1.830 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.977 1.943 0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.154 2.557 -0.820 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.281 0.241 1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.127 -0.807 0.261 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.485 -0.227 -0.131 1.00 0.00 N ATOM 1280 CA ILE A 82 -7.087 -0.558 -0.496 1.00 0.00 C ATOM 1281 C ILE A 82 -6.934 -1.996 -1.023 1.00 0.00 C ATOM 1282 O ILE A 82 -6.150 -2.211 -1.944 1.00 0.00 O ATOM 1283 CB ILE A 82 -6.142 -0.253 0.692 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -6.068 1.281 0.851 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.722 -0.828 0.500 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.417 1.756 2.145 1.00 0.00 C ATOM 0 H ILE A 82 -8.614 0.004 0.854 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.797 0.081 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.546 -0.733 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.513 1.694 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.078 1.687 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.109 -0.580 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.779 -1.911 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.274 -0.399 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.409 2.846 2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.982 1.378 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.394 1.384 2.195 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.692 -2.971 -0.513 1.00 0.00 N ATOM 1299 CA ALA A 83 -7.714 -4.333 -1.061 1.00 0.00 C ATOM 1300 C ALA A 83 -8.468 -4.406 -2.401 1.00 0.00 C ATOM 1301 O ALA A 83 -8.001 -5.058 -3.335 1.00 0.00 O ATOM 1302 CB ALA A 83 -8.329 -5.282 -0.023 1.00 0.00 C ATOM 0 H ALA A 83 -8.307 -2.840 0.290 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.689 -4.640 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.349 -6.296 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.730 -5.263 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.346 -4.962 0.205 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.605 -3.713 -2.537 1.00 0.00 N ATOM 1309 CA GLN A 84 -10.343 -3.637 -3.806 1.00 0.00 C ATOM 1310 C GLN A 84 -9.544 -2.899 -4.898 1.00 0.00 C ATOM 1311 O GLN A 84 -9.660 -3.254 -6.069 1.00 0.00 O ATOM 1312 CB GLN A 84 -11.732 -3.002 -3.601 1.00 0.00 C ATOM 1313 CG GLN A 84 -12.802 -3.971 -3.058 1.00 0.00 C ATOM 1314 CD GLN A 84 -12.821 -4.139 -1.540 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -13.405 -3.343 -0.815 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -12.226 -5.189 -1.004 1.00 0.00 N ATOM 0 H GLN A 84 -10.039 -3.191 -1.775 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.488 -4.659 -4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.636 -2.163 -2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.076 -2.596 -4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.783 -3.621 -3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.647 -4.949 -3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.737 -5.857 -1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.255 -5.332 0.006 1.00 0.00 H new ATOM 1325 N ALA A 85 -8.662 -1.956 -4.542 1.00 0.00 N ATOM 1326 CA ALA A 85 -7.733 -1.313 -5.479 1.00 0.00 C ATOM 1327 C ALA A 85 -6.761 -2.312 -6.153 1.00 0.00 C ATOM 1328 O ALA A 85 -6.235 -2.020 -7.227 1.00 0.00 O ATOM 1329 CB ALA A 85 -6.977 -0.209 -4.729 1.00 0.00 C ATOM 0 H ALA A 85 -8.573 -1.615 -3.585 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.310 -0.883 -6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.281 0.282 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.688 0.524 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.425 -0.647 -3.897 1.00 0.00 H new ATOM 1335 N LEU A 86 -6.551 -3.493 -5.551 1.00 0.00 N ATOM 1336 CA LEU A 86 -5.742 -4.600 -6.086 1.00 0.00 C ATOM 1337 C LEU A 86 -6.563 -5.584 -6.945 1.00 0.00 C ATOM 1338 O LEU A 86 -5.992 -6.431 -7.633 1.00 0.00 O ATOM 1339 CB LEU A 86 -5.076 -5.360 -4.921 1.00 0.00 C ATOM 1340 CG LEU A 86 -4.309 -4.485 -3.909 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -3.888 -5.319 -2.693 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -3.080 -3.817 -4.535 1.00 0.00 C ATOM 0 H LEU A 86 -6.957 -3.712 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.987 -4.161 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.846 -5.915 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.386 -6.094 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.988 -3.694 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.348 -4.687 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.774 -5.728 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.242 -6.135 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.573 -3.212 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.398 -4.583 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.394 -3.181 -5.363 1.00 0.00 H new ATOM 1354 N LEU A 87 -7.898 -5.484 -6.918 1.00 0.00 N ATOM 1355 CA LEU A 87 -8.809 -6.223 -7.805 1.00 0.00 C ATOM 1356 C LEU A 87 -9.165 -5.413 -9.067 1.00 0.00 C ATOM 1357 O LEU A 87 -9.646 -5.983 -10.049 1.00 0.00 O ATOM 1358 CB LEU A 87 -10.085 -6.602 -7.024 1.00 0.00 C ATOM 1359 CG LEU A 87 -9.860 -7.442 -5.748 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -11.215 -7.725 -5.085 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -9.142 -8.769 -6.038 1.00 0.00 C ATOM 0 H LEU A 87 -8.387 -4.873 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.302 -7.128 -8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.606 -5.685 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.746 -7.156 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.218 -6.866 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.062 -8.318 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.695 -6.783 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.851 -8.276 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.008 -9.321 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.740 -9.363 -6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.168 -8.566 -6.483 1.00 0.00 H new ATOM 1373 N GLY A 88 -8.930 -4.095 -9.048 1.00 0.00 N ATOM 1374 CA GLY A 88 -9.267 -3.161 -10.128 1.00 0.00 C ATOM 1375 C GLY A 88 -8.173 -3.046 -11.194 1.00 0.00 C ATOM 1376 O GLY A 88 -6.982 -3.051 -10.885 1.00 0.00 O ATOM 0 H GLY A 88 -8.485 -3.635 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.194 -3.484 -10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.454 -2.175 -9.701 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.591 -2.880 -12.454 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.708 -2.632 -13.605 1.00 0.00 C ATOM 1382 C ALA A 89 -7.386 -1.139 -13.831 1.00 0.00 C ATOM 1383 O ALA A 89 -6.558 -0.809 -14.683 1.00 0.00 O ATOM 1384 CB ALA A 89 -8.392 -3.230 -14.839 1.00 0.00 C ATOM 0 H ALA A 89 -9.578 -2.915 -12.711 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.744 -3.102 -13.410 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.767 -3.066 -15.717 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.538 -4.300 -14.692 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.359 -2.749 -14.988 1.00 0.00 H new ATOM 1390 N GLU A 90 -8.051 -0.244 -13.094 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.943 1.217 -13.184 1.00 0.00 C ATOM 1392 C GLU A 90 -7.466 1.820 -11.846 1.00 0.00 C ATOM 1393 O GLU A 90 -7.534 1.176 -10.796 1.00 0.00 O ATOM 1394 CB GLU A 90 -9.306 1.800 -13.595 1.00 0.00 C ATOM 1395 CG GLU A 90 -9.670 1.458 -15.046 1.00 0.00 C ATOM 1396 CD GLU A 90 -10.992 2.124 -15.450 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -12.073 1.535 -15.208 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -10.964 3.244 -16.016 1.00 0.00 O ATOM 0 H GLU A 90 -8.717 -0.535 -12.378 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.200 1.475 -13.939 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.079 1.417 -12.929 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.288 2.883 -13.473 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.873 1.788 -15.713 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.753 0.377 -15.159 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.958 3.057 -11.890 1.00 0.00 N ATOM 1406 CA GLU A 91 -6.363 3.754 -10.739 1.00 0.00 C ATOM 1407 C GLU A 91 -7.374 3.968 -9.595 1.00 0.00 C ATOM 1408 O GLU A 91 -8.547 4.284 -9.830 1.00 0.00 O ATOM 1409 CB GLU A 91 -5.766 5.090 -11.219 1.00 0.00 C ATOM 1410 CG GLU A 91 -4.858 5.775 -10.189 1.00 0.00 C ATOM 1411 CD GLU A 91 -4.367 7.132 -10.718 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -3.492 7.162 -11.615 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -4.861 8.183 -10.243 1.00 0.00 O ATOM 0 H GLU A 91 -6.948 3.615 -12.744 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.572 3.128 -10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.195 4.914 -12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.580 5.767 -11.478 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.402 5.918 -9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.004 5.135 -9.966 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.904 3.829 -8.346 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.688 4.104 -7.133 1.00 0.00 C ATOM 1422 C ARG A 92 -6.882 4.844 -6.072 1.00 0.00 C ATOM 1423 O ARG A 92 -5.789 4.419 -5.703 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.242 2.792 -6.538 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.493 2.261 -7.250 1.00 0.00 C ATOM 1426 CD ARG A 92 -10.684 3.223 -7.118 1.00 0.00 C ATOM 1427 NE ARG A 92 -11.875 2.700 -7.808 1.00 0.00 N ATOM 1428 CZ ARG A 92 -12.141 2.793 -9.109 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -11.301 3.331 -9.972 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -13.287 2.337 -9.567 1.00 0.00 N ATOM 0 H ARG A 92 -5.953 3.517 -8.148 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.512 4.751 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.463 2.030 -6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.477 2.953 -5.486 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.270 2.103 -8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.763 1.291 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.912 3.380 -6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.417 4.194 -7.535 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.565 2.218 -7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.405 3.697 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.548 3.381 -10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.961 1.917 -8.927 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.501 2.403 -10.562 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.470 5.910 -5.532 1.00 0.00 N ATOM 1445 CA LYS A 93 -6.995 6.647 -4.358 1.00 0.00 C ATOM 1446 C LYS A 93 -7.927 6.388 -3.158 1.00 0.00 C ATOM 1447 O LYS A 93 -9.148 6.478 -3.295 1.00 0.00 O ATOM 1448 CB LYS A 93 -6.910 8.148 -4.687 1.00 0.00 C ATOM 1449 CG LYS A 93 -6.112 8.433 -5.974 1.00 0.00 C ATOM 1450 CD LYS A 93 -5.636 9.889 -6.075 1.00 0.00 C ATOM 1451 CE LYS A 93 -6.801 10.879 -5.938 1.00 0.00 C ATOM 1452 NZ LYS A 93 -6.361 12.286 -6.148 1.00 0.00 N ATOM 0 H LYS A 93 -8.329 6.303 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.998 6.300 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.918 8.550 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.444 8.672 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.247 7.770 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.732 8.199 -6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.898 10.085 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.138 10.043 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.577 10.629 -6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.246 10.782 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.177 12.923 -6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.639 12.533 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.960 12.385 -7.102 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.362 6.057 -1.995 1.00 0.00 N ATOM 1467 CA VAL A 94 -8.101 5.742 -0.749 1.00 0.00 C ATOM 1468 C VAL A 94 -7.445 6.480 0.416 1.00 0.00 C ATOM 1469 O VAL A 94 -6.221 6.478 0.531 1.00 0.00 O ATOM 1470 CB VAL A 94 -8.153 4.217 -0.462 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -8.934 3.922 0.826 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -8.770 3.466 -1.638 1.00 0.00 C ATOM 0 H VAL A 94 -6.350 5.996 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.132 6.072 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.129 3.870 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.954 2.846 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.449 4.418 1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.954 4.292 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.796 2.399 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.785 3.826 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.170 3.635 -2.532 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.259 7.107 1.266 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.804 7.841 2.447 1.00 0.00 C ATOM 1484 C GLU A 95 -7.994 6.999 3.719 1.00 0.00 C ATOM 1485 O GLU A 95 -9.068 6.439 3.935 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.572 9.171 2.524 1.00 0.00 C ATOM 1487 CG GLU A 95 -8.145 10.056 3.696 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.932 11.378 3.704 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.760 12.205 2.776 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.738 11.597 4.638 1.00 0.00 O ATOM 0 H GLU A 95 -9.272 7.119 1.151 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.738 8.052 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.427 9.719 1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.638 8.961 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.308 9.526 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.077 10.265 3.629 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.965 6.907 4.570 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.910 5.964 5.705 1.00 0.00 C ATOM 1499 C ILE A 96 -5.970 6.459 6.813 1.00 0.00 C ATOM 1500 O ILE A 96 -4.951 7.081 6.526 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.515 4.553 5.189 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.650 3.493 6.305 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -5.115 4.520 4.545 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.645 2.049 5.788 1.00 0.00 C ATOM 0 H ILE A 96 -6.133 7.492 4.493 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.900 5.901 6.157 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.220 4.303 4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.832 3.619 7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.576 3.670 6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.895 3.508 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.089 5.203 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.369 4.825 5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.743 1.361 6.628 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.480 1.905 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.708 1.853 5.266 1.00 0.00 H new ATOM 1516 N ALA A 97 -6.282 6.194 8.086 1.00 0.00 N ATOM 1517 CA ALA A 97 -5.376 6.507 9.194 1.00 0.00 C ATOM 1518 C ALA A 97 -4.382 5.360 9.422 1.00 0.00 C ATOM 1519 O ALA A 97 -4.787 4.244 9.749 1.00 0.00 O ATOM 1520 CB ALA A 97 -6.188 6.840 10.451 1.00 0.00 C ATOM 0 H ALA A 97 -7.160 5.761 8.374 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.784 7.387 8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.509 7.072 11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.827 7.701 10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.806 5.984 10.722 1.00 0.00 H new ATOM 1526 N PHE A 98 -3.090 5.646 9.261 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.978 4.737 9.518 1.00 0.00 C ATOM 1528 C PHE A 98 -1.242 5.095 10.814 1.00 0.00 C ATOM 1529 O PHE A 98 -0.981 6.263 11.108 1.00 0.00 O ATOM 1530 CB PHE A 98 -1.003 4.797 8.331 1.00 0.00 C ATOM 1531 CG PHE A 98 -1.375 4.079 7.041 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -2.434 3.151 6.977 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -0.563 4.278 5.907 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.645 2.400 5.806 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -0.789 3.543 4.729 1.00 0.00 C ATOM 1536 CZ PHE A 98 -1.824 2.595 4.683 1.00 0.00 C ATOM 0 H PHE A 98 -2.778 6.560 8.933 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.375 3.728 9.634 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.841 5.847 8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.047 4.396 8.668 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.085 3.016 7.828 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.239 5.000 5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.441 1.671 5.770 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.167 3.708 3.861 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.988 2.017 3.786 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.847 4.062 11.557 1.00 0.00 N ATOM 1547 CA TYR A 99 -0.035 4.155 12.775 1.00 0.00 C ATOM 1548 C TYR A 99 1.464 3.980 12.457 1.00 0.00 C ATOM 1549 O TYR A 99 1.822 3.342 11.462 1.00 0.00 O ATOM 1550 CB TYR A 99 -0.554 3.097 13.763 1.00 0.00 C ATOM 1551 CG TYR A 99 -0.121 3.288 15.203 1.00 0.00 C ATOM 1552 CD1 TYR A 99 -0.879 4.115 16.057 1.00 0.00 C ATOM 1553 CD2 TYR A 99 1.010 2.614 15.703 1.00 0.00 C ATOM 1554 CE1 TYR A 99 -0.509 4.273 17.406 1.00 0.00 C ATOM 1555 CE2 TYR A 99 1.385 2.766 17.052 1.00 0.00 C ATOM 1556 CZ TYR A 99 0.624 3.592 17.910 1.00 0.00 C ATOM 1557 OH TYR A 99 0.977 3.716 19.221 1.00 0.00 O ATOM 0 H TYR A 99 -1.092 3.100 11.320 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.127 5.143 13.225 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.643 3.093 13.726 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.220 2.115 13.427 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.748 4.630 15.674 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.591 1.979 15.051 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.089 4.913 18.055 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.255 2.251 17.431 1.00 0.00 H new ATOM 0 HH TYR A 99 1.779 3.180 19.396 1.00 0.00 H new ATOM 1567 N ARG A 100 2.353 4.608 13.233 1.00 0.00 N ATOM 1568 CA ARG A 100 3.819 4.635 13.022 1.00 0.00 C ATOM 1569 C ARG A 100 4.576 3.784 14.055 1.00 0.00 C ATOM 1570 O ARG A 100 4.119 3.609 15.183 1.00 0.00 O ATOM 1571 CB ARG A 100 4.319 6.098 13.080 1.00 0.00 C ATOM 1572 CG ARG A 100 3.589 7.114 12.176 1.00 0.00 C ATOM 1573 CD ARG A 100 3.791 6.908 10.671 1.00 0.00 C ATOM 1574 NE ARG A 100 3.098 5.704 10.171 1.00 0.00 N ATOM 1575 CZ ARG A 100 3.010 5.274 8.923 1.00 0.00 C ATOM 1576 NH1 ARG A 100 3.474 5.965 7.912 1.00 0.00 N ATOM 1577 NH2 ARG A 100 2.484 4.096 8.691 1.00 0.00 N ATOM 0 H ARG A 100 2.069 5.134 14.059 1.00 0.00 H new ATOM 0 HA ARG A 100 4.020 4.204 12.041 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.243 6.443 14.111 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.377 6.107 12.818 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.522 7.069 12.393 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.925 8.117 12.438 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.425 7.784 10.135 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.857 6.826 10.458 1.00 0.00 H new ATOM 0 HE ARG A 100 2.629 5.133 10.875 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.921 6.867 8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.388 5.601 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.150 3.525 9.467 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.409 3.750 7.734 1.00 0.00 H new ATOM 1591 N LYS A 101 5.789 3.330 13.713 1.00 0.00 N ATOM 1592 CA LYS A 101 6.674 2.586 14.641 1.00 0.00 C ATOM 1593 C LYS A 101 7.130 3.426 15.857 1.00 0.00 C ATOM 1594 O LYS A 101 7.445 2.871 16.910 1.00 0.00 O ATOM 1595 CB LYS A 101 7.898 2.030 13.876 1.00 0.00 C ATOM 1596 CG LYS A 101 7.743 0.574 13.410 1.00 0.00 C ATOM 1597 CD LYS A 101 6.875 0.435 12.152 1.00 0.00 C ATOM 1598 CE LYS A 101 6.591 -1.035 11.796 1.00 0.00 C ATOM 1599 NZ LYS A 101 5.684 -1.713 12.768 1.00 0.00 N ATOM 0 H LYS A 101 6.192 3.465 12.786 1.00 0.00 H new ATOM 0 HA LYS A 101 6.085 1.761 15.043 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.085 2.660 13.006 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.776 2.103 14.517 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.730 0.155 13.212 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.303 -0.014 14.215 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.931 0.958 12.305 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.375 0.919 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.147 -1.082 10.802 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.534 -1.579 11.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.465 -2.671 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.151 -1.773 13.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.803 -1.168 12.859 1.00 0.00 H new ATOM 1613 N ASP A 102 7.125 4.758 15.731 1.00 0.00 N ATOM 1614 CA ASP A 102 7.472 5.706 16.803 1.00 0.00 C ATOM 1615 C ASP A 102 6.332 5.929 17.827 1.00 0.00 C ATOM 1616 O ASP A 102 6.526 6.611 18.834 1.00 0.00 O ATOM 1617 CB ASP A 102 7.898 7.027 16.142 1.00 0.00 C ATOM 1618 CG ASP A 102 8.605 7.989 17.114 1.00 0.00 C ATOM 1619 OD1 ASP A 102 9.646 7.600 17.698 1.00 0.00 O ATOM 1620 OD2 ASP A 102 8.147 9.148 17.260 1.00 0.00 O ATOM 0 H ASP A 102 6.873 5.222 14.858 1.00 0.00 H new ATOM 0 HA ASP A 102 8.289 5.283 17.387 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.564 6.810 15.307 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.018 7.520 15.729 1.00 0.00 H new ATOM 1625 N GLY A 103 5.142 5.362 17.574 1.00 0.00 N ATOM 1626 CA GLY A 103 3.935 5.503 18.405 1.00 0.00 C ATOM 1627 C GLY A 103 2.988 6.625 17.958 1.00 0.00 C ATOM 1628 O GLY A 103 1.930 6.814 18.557 1.00 0.00 O ATOM 0 H GLY A 103 4.988 4.772 16.756 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.390 4.559 18.397 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.237 5.688 19.436 1.00 0.00 H new ATOM 1632 N SER A 104 3.356 7.372 16.918 1.00 0.00 N ATOM 1633 CA SER A 104 2.528 8.427 16.307 1.00 0.00 C ATOM 1634 C SER A 104 1.510 7.858 15.293 1.00 0.00 C ATOM 1635 O SER A 104 1.529 6.668 14.967 1.00 0.00 O ATOM 1636 CB SER A 104 3.439 9.465 15.622 1.00 0.00 C ATOM 1637 OG SER A 104 4.347 10.048 16.552 1.00 0.00 O ATOM 0 H SER A 104 4.261 7.262 16.460 1.00 0.00 H new ATOM 0 HA SER A 104 1.955 8.903 17.103 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.997 8.988 14.816 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.828 10.245 15.168 1.00 0.00 H new ATOM 0 HG SER A 104 4.914 10.701 16.091 1.00 0.00 H new ATOM 1643 N CYS A 105 0.646 8.711 14.731 1.00 0.00 N ATOM 1644 CA CYS A 105 -0.267 8.361 13.635 1.00 0.00 C ATOM 1645 C CYS A 105 -0.653 9.587 12.789 1.00 0.00 C ATOM 1646 O CYS A 105 -0.444 10.732 13.203 1.00 0.00 O ATOM 1647 CB CYS A 105 -1.493 7.616 14.202 1.00 0.00 C ATOM 1648 SG CYS A 105 -2.526 8.719 15.214 1.00 0.00 S ATOM 0 H CYS A 105 0.560 9.682 15.030 1.00 0.00 H new ATOM 0 HA CYS A 105 0.249 7.689 12.949 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.086 7.210 13.382 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.161 6.771 14.805 1.00 0.00 H new ATOM 0 HG CYS A 105 -3.548 8.058 15.671 1.00 0.00 H new ATOM 1654 N PHE A 106 -1.231 9.333 11.613 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.744 10.351 10.682 1.00 0.00 C ATOM 1656 C PHE A 106 -2.672 9.773 9.600 1.00 0.00 C ATOM 1657 O PHE A 106 -2.739 8.560 9.410 1.00 0.00 O ATOM 1658 CB PHE A 106 -0.588 11.195 10.095 1.00 0.00 C ATOM 1659 CG PHE A 106 0.624 10.503 9.481 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.539 9.263 8.815 1.00 0.00 C ATOM 1661 CD2 PHE A 106 1.859 11.180 9.513 1.00 0.00 C ATOM 1662 CE1 PHE A 106 1.659 8.739 8.148 1.00 0.00 C ATOM 1663 CE2 PHE A 106 2.988 10.640 8.875 1.00 0.00 C ATOM 1664 CZ PHE A 106 2.883 9.428 8.176 1.00 0.00 C ATOM 0 H PHE A 106 -1.361 8.382 11.267 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.378 11.022 11.261 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.015 11.842 9.329 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.223 11.843 10.892 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.391 8.714 8.818 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.939 12.123 10.033 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.579 7.804 7.613 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.935 11.157 8.922 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.742 9.025 7.660 1.00 0.00 H new ATOM 1674 N LEU A 107 -3.378 10.646 8.873 1.00 0.00 N ATOM 1675 CA LEU A 107 -4.126 10.283 7.667 1.00 0.00 C ATOM 1676 C LEU A 107 -3.185 10.233 6.457 1.00 0.00 C ATOM 1677 O LEU A 107 -2.565 11.231 6.076 1.00 0.00 O ATOM 1678 CB LEU A 107 -5.277 11.280 7.421 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.656 10.966 8.037 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -7.204 9.612 7.578 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -6.653 11.023 9.572 1.00 0.00 C ATOM 0 H LEU A 107 -3.446 11.636 9.109 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.560 9.294 7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.960 12.254 7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.408 11.378 6.343 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.314 11.753 7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.176 9.438 8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.312 9.612 6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.515 8.821 7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.651 10.793 9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.942 10.294 9.962 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.364 12.022 9.898 1.00 0.00 H new ATOM 1693 N CYS A 108 -3.145 9.071 5.814 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.444 8.790 4.570 1.00 0.00 C ATOM 1695 C CYS A 108 -3.451 8.693 3.409 1.00 0.00 C ATOM 1696 O CYS A 108 -4.535 8.121 3.553 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.683 7.471 4.770 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.660 7.118 3.312 1.00 0.00 S ATOM 0 H CYS A 108 -3.633 8.250 6.172 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.744 9.587 4.317 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.055 7.535 5.658 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.388 6.656 4.936 1.00 0.00 H new ATOM 0 HG CYS A 108 0.137 6.124 3.571 1.00 0.00 H new ATOM 1704 N LEU A 109 -3.080 9.214 2.243 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.698 8.911 0.959 1.00 0.00 C ATOM 1706 C LEU A 109 -2.851 7.825 0.277 1.00 0.00 C ATOM 1707 O LEU A 109 -1.668 8.042 0.012 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.774 10.203 0.115 1.00 0.00 C ATOM 1709 CG LEU A 109 -4.870 10.165 -0.971 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -6.282 10.240 -0.372 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -4.678 11.340 -1.941 1.00 0.00 C ATOM 0 H LEU A 109 -2.313 9.882 2.165 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.716 8.540 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.958 11.049 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.808 10.374 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.774 9.214 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.020 10.210 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.439 9.394 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.391 11.169 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.453 11.310 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.746 12.279 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.699 11.265 -2.414 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.453 6.662 0.026 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.853 5.551 -0.728 1.00 0.00 C ATOM 1725 C VAL A 110 -3.415 5.577 -2.152 1.00 0.00 C ATOM 1726 O VAL A 110 -4.618 5.376 -2.323 1.00 0.00 O ATOM 1727 CB VAL A 110 -3.134 4.183 -0.063 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.506 3.033 -0.866 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.606 4.151 1.381 1.00 0.00 C ATOM 0 H VAL A 110 -4.399 6.457 0.349 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.770 5.678 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.216 4.049 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.721 2.085 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.924 3.021 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.427 3.176 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.817 3.178 1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.530 4.323 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.096 4.930 1.965 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.573 5.814 -3.161 1.00 0.00 N ATOM 1740 CA ASP A 111 -2.941 5.867 -4.568 1.00 0.00 C ATOM 1741 C ASP A 111 -2.310 4.656 -5.248 1.00 0.00 C ATOM 1742 O ASP A 111 -1.091 4.574 -5.357 1.00 0.00 O ATOM 1743 CB ASP A 111 -2.439 7.172 -5.213 1.00 0.00 C ATOM 1744 CG ASP A 111 -2.776 8.451 -4.425 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -3.781 8.468 -3.681 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -2.038 9.451 -4.598 1.00 0.00 O ATOM 0 H ASP A 111 -1.578 5.980 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.025 5.848 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -1.357 7.110 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.866 7.255 -6.213 1.00 0.00 H new ATOM 1751 N VAL A 112 -3.116 3.690 -5.672 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.615 2.478 -6.328 1.00 0.00 C ATOM 1753 C VAL A 112 -2.725 2.670 -7.833 1.00 0.00 C ATOM 1754 O VAL A 112 -3.809 2.913 -8.361 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.367 1.222 -5.881 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -2.740 -0.048 -6.465 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -3.463 1.132 -4.346 1.00 0.00 C ATOM 0 H VAL A 112 -4.131 3.720 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.575 2.326 -6.041 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.381 1.303 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -3.300 -0.919 -6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.767 0.000 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.706 -0.130 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.003 0.227 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.460 1.101 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.993 2.004 -3.963 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.582 2.558 -8.505 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.442 2.754 -9.948 1.00 0.00 C ATOM 1769 C VAL A 113 -1.247 1.372 -10.589 1.00 0.00 C ATOM 1770 O VAL A 113 -0.240 0.722 -10.294 1.00 0.00 O ATOM 1771 CB VAL A 113 -0.272 3.719 -10.245 1.00 0.00 C ATOM 1772 CG1 VAL A 113 0.005 3.834 -11.754 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.561 5.120 -9.680 1.00 0.00 C ATOM 0 H VAL A 113 -0.701 2.321 -8.048 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.333 3.216 -10.374 1.00 0.00 H new ATOM 0 HB VAL A 113 0.610 3.302 -9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.834 4.522 -11.920 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.262 2.853 -12.153 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.885 4.210 -12.260 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.277 5.781 -9.901 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.467 5.517 -10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.697 5.056 -8.600 1.00 0.00 H new ATOM 1783 N PRO A 114 -2.191 0.891 -11.423 1.00 0.00 N ATOM 1784 CA PRO A 114 -2.080 -0.400 -12.090 1.00 0.00 C ATOM 1785 C PRO A 114 -1.043 -0.310 -13.212 1.00 0.00 C ATOM 1786 O PRO A 114 -1.187 0.482 -14.143 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.482 -0.722 -12.617 1.00 0.00 C ATOM 1788 CG PRO A 114 -4.102 0.655 -12.834 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.476 1.506 -11.733 1.00 0.00 C ATOM 0 HA PRO A 114 -1.742 -1.192 -11.422 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.441 -1.295 -13.543 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.055 -1.312 -11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.871 1.047 -13.824 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.188 0.624 -12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.344 2.536 -12.065 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.117 1.534 -10.852 1.00 0.00 H new ATOM 1797 N VAL A 115 -0.001 -1.135 -13.116 1.00 0.00 N ATOM 1798 CA VAL A 115 1.040 -1.250 -14.156 1.00 0.00 C ATOM 1799 C VAL A 115 0.703 -2.412 -15.090 1.00 0.00 C ATOM 1800 O VAL A 115 0.665 -3.568 -14.668 1.00 0.00 O ATOM 1801 CB VAL A 115 2.451 -1.430 -13.554 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.535 -1.586 -14.634 1.00 0.00 C ATOM 1803 CG2 VAL A 115 2.816 -0.237 -12.660 1.00 0.00 C ATOM 0 H VAL A 115 0.152 -1.748 -12.315 1.00 0.00 H new ATOM 0 HA VAL A 115 1.054 -0.317 -14.720 1.00 0.00 H new ATOM 0 HB VAL A 115 2.417 -2.346 -12.965 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.508 -1.709 -14.158 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.316 -2.462 -15.245 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.550 -0.698 -15.265 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.814 -0.384 -12.246 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.800 0.679 -13.251 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.094 -0.157 -11.847 1.00 0.00 H new ATOM 1813 N LYS A 116 0.497 -2.103 -16.374 1.00 0.00 N ATOM 1814 CA LYS A 116 0.339 -3.103 -17.437 1.00 0.00 C ATOM 1815 C LYS A 116 1.686 -3.533 -18.045 1.00 0.00 C ATOM 1816 O LYS A 116 2.659 -2.775 -18.054 1.00 0.00 O ATOM 1817 CB LYS A 116 -0.613 -2.587 -18.529 1.00 0.00 C ATOM 1818 CG LYS A 116 -2.055 -2.501 -18.009 1.00 0.00 C ATOM 1819 CD LYS A 116 -3.036 -2.113 -19.122 1.00 0.00 C ATOM 1820 CE LYS A 116 -4.405 -2.735 -18.816 1.00 0.00 C ATOM 1821 NZ LYS A 116 -5.406 -2.418 -19.873 1.00 0.00 N ATOM 0 H LYS A 116 0.434 -1.142 -16.709 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.099 -3.990 -16.979 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.285 -1.604 -18.866 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.574 -3.250 -19.393 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.347 -3.462 -17.585 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.109 -1.768 -17.204 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.121 -1.028 -19.188 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.670 -2.464 -20.087 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.301 -3.816 -18.727 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.764 -2.369 -17.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.318 -2.856 -19.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.524 -1.387 -19.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.076 -2.790 -20.786 1.00 0.00 H new ATOM 1835 N ASN A 117 1.725 -4.758 -18.579 1.00 0.00 N ATOM 1836 CA ASN A 117 2.878 -5.315 -19.290 1.00 0.00 C ATOM 1837 C ASN A 117 2.798 -5.039 -20.803 1.00 0.00 C ATOM 1838 O ASN A 117 1.883 -4.369 -21.287 1.00 0.00 O ATOM 1839 CB ASN A 117 3.031 -6.813 -18.944 1.00 0.00 C ATOM 1840 CG ASN A 117 2.125 -7.746 -19.740 1.00 0.00 C ATOM 1841 OD1 ASN A 117 2.563 -8.376 -20.689 1.00 0.00 O ATOM 1842 ND2 ASN A 117 0.846 -7.826 -19.428 1.00 0.00 N ATOM 0 H ASN A 117 0.937 -5.404 -18.527 1.00 0.00 H new ATOM 0 HA ASN A 117 3.785 -4.812 -18.955 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.068 -7.106 -19.110 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.827 -6.949 -17.882 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.222 -8.415 -19.980 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.481 -7.299 -18.635 1.00 0.00 H new ATOM 1849 N GLU A 118 3.733 -5.621 -21.550 1.00 0.00 N ATOM 1850 CA GLU A 118 3.829 -5.519 -23.016 1.00 0.00 C ATOM 1851 C GLU A 118 2.598 -6.067 -23.776 1.00 0.00 C ATOM 1852 O GLU A 118 2.355 -5.668 -24.916 1.00 0.00 O ATOM 1853 CB GLU A 118 5.119 -6.209 -23.498 1.00 0.00 C ATOM 1854 CG GLU A 118 5.238 -7.677 -23.063 1.00 0.00 C ATOM 1855 CD GLU A 118 6.441 -8.353 -23.736 1.00 0.00 C ATOM 1856 OE1 GLU A 118 7.565 -8.291 -23.179 1.00 0.00 O ATOM 1857 OE2 GLU A 118 6.278 -8.956 -24.823 1.00 0.00 O ATOM 0 H GLU A 118 4.471 -6.196 -21.145 1.00 0.00 H new ATOM 0 HA GLU A 118 3.858 -4.455 -23.250 1.00 0.00 H new ATOM 0 HB2 GLU A 118 5.162 -6.158 -24.586 1.00 0.00 H new ATOM 0 HB3 GLU A 118 5.979 -5.657 -23.118 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.344 -7.732 -21.980 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.324 -8.212 -23.321 1.00 0.00 H new ATOM 1864 N ASP A 119 1.800 -6.947 -23.156 1.00 0.00 N ATOM 1865 CA ASP A 119 0.580 -7.537 -23.734 1.00 0.00 C ATOM 1866 C ASP A 119 -0.695 -6.719 -23.419 1.00 0.00 C ATOM 1867 O ASP A 119 -1.779 -7.037 -23.913 1.00 0.00 O ATOM 1868 CB ASP A 119 0.457 -8.983 -23.218 1.00 0.00 C ATOM 1869 CG ASP A 119 -0.620 -9.799 -23.953 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -0.503 -9.981 -25.189 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -1.560 -10.296 -23.285 1.00 0.00 O ATOM 0 H ASP A 119 1.989 -7.279 -22.210 1.00 0.00 H new ATOM 0 HA ASP A 119 0.668 -7.526 -24.820 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.419 -9.483 -23.326 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.225 -8.963 -22.153 1.00 0.00 H new ATOM 1876 N GLY A 120 -0.578 -5.669 -22.592 1.00 0.00 N ATOM 1877 CA GLY A 120 -1.693 -4.800 -22.194 1.00 0.00 C ATOM 1878 C GLY A 120 -2.568 -5.362 -21.068 1.00 0.00 C ATOM 1879 O GLY A 120 -3.711 -4.931 -20.924 1.00 0.00 O ATOM 0 H GLY A 120 0.311 -5.396 -22.174 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.291 -3.837 -21.878 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.320 -4.614 -23.066 1.00 0.00 H new ATOM 1883 N ALA A 121 -2.045 -6.292 -20.259 1.00 0.00 N ATOM 1884 CA ALA A 121 -2.684 -6.812 -19.041 1.00 0.00 C ATOM 1885 C ALA A 121 -1.951 -6.286 -17.798 1.00 0.00 C ATOM 1886 O ALA A 121 -0.742 -6.069 -17.857 1.00 0.00 O ATOM 1887 CB ALA A 121 -2.680 -8.350 -19.085 1.00 0.00 C ATOM 0 H ALA A 121 -1.136 -6.718 -20.439 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.717 -6.469 -18.987 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.153 -8.741 -18.184 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.232 -8.690 -19.961 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.653 -8.710 -19.141 1.00 0.00 H new ATOM 1893 N VAL A 122 -2.649 -6.088 -16.681 1.00 0.00 N ATOM 1894 CA VAL A 122 -2.059 -5.587 -15.417 1.00 0.00 C ATOM 1895 C VAL A 122 -1.358 -6.721 -14.659 1.00 0.00 C ATOM 1896 O VAL A 122 -1.941 -7.778 -14.422 1.00 0.00 O ATOM 1897 CB VAL A 122 -3.072 -4.790 -14.557 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -4.371 -5.558 -14.303 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -2.488 -4.305 -13.220 1.00 0.00 C ATOM 0 H VAL A 122 -3.651 -6.269 -16.616 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.289 -4.858 -15.671 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.304 -3.912 -15.159 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -5.041 -4.949 -13.696 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.851 -5.786 -15.255 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.148 -6.487 -13.777 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.250 -3.755 -12.668 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.163 -5.163 -12.632 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.636 -3.653 -13.410 1.00 0.00 H new ATOM 1909 N ILE A 123 -0.084 -6.498 -14.307 1.00 0.00 N ATOM 1910 CA ILE A 123 0.800 -7.517 -13.688 1.00 0.00 C ATOM 1911 C ILE A 123 1.487 -7.046 -12.398 1.00 0.00 C ATOM 1912 O ILE A 123 1.820 -7.865 -11.544 1.00 0.00 O ATOM 1913 CB ILE A 123 1.826 -8.068 -14.711 1.00 0.00 C ATOM 1914 CG1 ILE A 123 3.061 -7.177 -14.983 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.154 -8.485 -16.032 1.00 0.00 C ATOM 1916 CD1 ILE A 123 2.838 -5.729 -15.430 1.00 0.00 C ATOM 0 H ILE A 123 0.375 -5.597 -14.442 1.00 0.00 H new ATOM 0 HA ILE A 123 0.143 -8.332 -13.385 1.00 0.00 H new ATOM 0 HB ILE A 123 2.227 -8.950 -14.212 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.659 -7.154 -14.072 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.663 -7.670 -15.747 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.909 -8.865 -16.720 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.417 -9.264 -15.835 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.659 -7.622 -16.477 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.802 -5.241 -15.578 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.279 -5.719 -16.365 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.275 -5.195 -14.665 1.00 0.00 H new ATOM 1928 N MET A 124 1.644 -5.734 -12.220 1.00 0.00 N ATOM 1929 CA MET A 124 2.113 -5.090 -10.982 1.00 0.00 C ATOM 1930 C MET A 124 1.219 -3.911 -10.573 1.00 0.00 C ATOM 1931 O MET A 124 0.591 -3.261 -11.408 1.00 0.00 O ATOM 1932 CB MET A 124 3.563 -4.608 -11.163 1.00 0.00 C ATOM 1933 CG MET A 124 4.564 -5.765 -11.244 1.00 0.00 C ATOM 1934 SD MET A 124 6.238 -5.259 -11.723 1.00 0.00 S ATOM 1935 CE MET A 124 5.974 -4.948 -13.489 1.00 0.00 C ATOM 0 H MET A 124 1.442 -5.061 -12.959 1.00 0.00 H new ATOM 0 HA MET A 124 2.065 -5.832 -10.185 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.632 -4.009 -12.071 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.832 -3.958 -10.331 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.609 -6.262 -10.275 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.198 -6.499 -11.962 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.934 -4.781 -13.977 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.482 -5.810 -13.941 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.346 -4.066 -13.613 1.00 0.00 H new ATOM 1945 N PHE A 125 1.224 -3.592 -9.282 1.00 0.00 N ATOM 1946 CA PHE A 125 0.662 -2.368 -8.713 1.00 0.00 C ATOM 1947 C PHE A 125 1.787 -1.527 -8.117 1.00 0.00 C ATOM 1948 O PHE A 125 2.628 -2.054 -7.394 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.356 -2.750 -7.628 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.604 -3.413 -8.171 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.489 -2.677 -8.982 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -1.880 -4.761 -7.875 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.634 -3.294 -9.514 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -3.029 -5.373 -8.403 1.00 0.00 C ATOM 1955 CZ PHE A 125 -3.897 -4.644 -9.236 1.00 0.00 C ATOM 0 H PHE A 125 1.635 -4.202 -8.575 1.00 0.00 H new ATOM 0 HA PHE A 125 0.161 -1.784 -9.485 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.121 -3.422 -6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.642 -1.853 -7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.288 -1.638 -9.195 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.209 -5.324 -7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.312 -2.729 -10.137 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.246 -6.405 -8.169 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.766 -5.123 -9.662 1.00 0.00 H new ATOM 1965 N ILE A 126 1.778 -0.216 -8.364 1.00 0.00 N ATOM 1966 CA ILE A 126 2.570 0.742 -7.576 1.00 0.00 C ATOM 1967 C ILE A 126 1.606 1.349 -6.566 1.00 0.00 C ATOM 1968 O ILE A 126 0.643 1.996 -6.976 1.00 0.00 O ATOM 1969 CB ILE A 126 3.220 1.837 -8.456 1.00 0.00 C ATOM 1970 CG1 ILE A 126 4.090 1.242 -9.583 1.00 0.00 C ATOM 1971 CG2 ILE A 126 4.071 2.770 -7.571 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.417 2.257 -10.685 1.00 0.00 C ATOM 0 H ILE A 126 1.228 0.213 -9.108 1.00 0.00 H new ATOM 0 HA ILE A 126 3.403 0.237 -7.087 1.00 0.00 H new ATOM 0 HB ILE A 126 2.417 2.400 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 126 5.019 0.865 -9.157 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.572 0.390 -10.023 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.529 3.541 -8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.435 3.238 -6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.851 2.191 -7.077 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.031 1.780 -11.449 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.492 2.616 -11.135 1.00 0.00 H new ATOM 0 HD13 ILE A 126 4.961 3.098 -10.255 1.00 0.00 H new ATOM 1984 N LEU A 127 1.831 1.124 -5.275 1.00 0.00 N ATOM 1985 CA LEU A 127 1.060 1.727 -4.194 1.00 0.00 C ATOM 1986 C LEU A 127 1.836 2.950 -3.725 1.00 0.00 C ATOM 1987 O LEU A 127 2.970 2.805 -3.272 1.00 0.00 O ATOM 1988 CB LEU A 127 0.878 0.718 -3.043 1.00 0.00 C ATOM 1989 CG LEU A 127 -0.081 -0.449 -3.353 1.00 0.00 C ATOM 1990 CD1 LEU A 127 0.603 -1.608 -4.099 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -0.681 -0.964 -2.043 1.00 0.00 C ATOM 0 H LEU A 127 2.570 0.504 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 127 0.064 2.013 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.853 0.308 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.509 1.250 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.859 -0.065 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.124 -2.398 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 127 1.001 -1.246 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 127 1.417 -2.002 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.361 -1.790 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 127 0.118 -1.310 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.229 -0.159 -1.553 1.00 0.00 H new ATOM 2003 N ASN A 128 1.253 4.141 -3.852 1.00 0.00 N ATOM 2004 CA ASN A 128 1.928 5.397 -3.473 1.00 0.00 C ATOM 2005 C ASN A 128 1.292 6.014 -2.223 1.00 0.00 C ATOM 2006 O ASN A 128 0.073 6.149 -2.172 1.00 0.00 O ATOM 2007 CB ASN A 128 1.936 6.440 -4.602 1.00 0.00 C ATOM 2008 CG ASN A 128 2.253 5.913 -5.998 1.00 0.00 C ATOM 2009 OD1 ASN A 128 3.345 6.085 -6.522 1.00 0.00 O ATOM 2010 ND2 ASN A 128 1.291 5.295 -6.657 1.00 0.00 N ATOM 0 H ASN A 128 0.309 4.270 -4.216 1.00 0.00 H new ATOM 0 HA ASN A 128 2.962 5.123 -3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 128 0.959 6.922 -4.631 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.665 7.211 -4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.457 4.959 -7.606 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.382 5.153 -6.218 1.00 0.00 H new ATOM 2017 N PHE A 129 2.101 6.408 -1.235 1.00 0.00 N ATOM 2018 CA PHE A 129 1.654 6.972 0.042 1.00 0.00 C ATOM 2019 C PHE A 129 1.927 8.486 0.106 1.00 0.00 C ATOM 2020 O PHE A 129 2.996 8.946 -0.295 1.00 0.00 O ATOM 2021 CB PHE A 129 2.371 6.229 1.188 1.00 0.00 C ATOM 2022 CG PHE A 129 2.286 4.707 1.203 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.198 4.017 0.631 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.315 3.969 1.823 1.00 0.00 C ATOM 2025 CE1 PHE A 129 1.138 2.613 0.679 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.256 2.565 1.872 1.00 0.00 C ATOM 2027 CZ PHE A 129 2.166 1.886 1.302 1.00 0.00 C ATOM 0 H PHE A 129 3.116 6.341 -1.304 1.00 0.00 H new ATOM 0 HA PHE A 129 0.577 6.839 0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.425 6.507 1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 129 1.968 6.598 2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.404 4.571 0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.155 4.486 2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.301 2.093 0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.049 2.008 2.348 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.119 0.808 1.343 1.00 0.00 H new ATOM 2037 N GLU A 130 0.990 9.260 0.656 1.00 0.00 N ATOM 2038 CA GLU A 130 1.113 10.704 0.884 1.00 0.00 C ATOM 2039 C GLU A 130 0.401 11.078 2.189 1.00 0.00 C ATOM 2040 O GLU A 130 -0.721 10.640 2.418 1.00 0.00 O ATOM 2041 CB GLU A 130 0.480 11.485 -0.287 1.00 0.00 C ATOM 2042 CG GLU A 130 1.470 11.699 -1.441 1.00 0.00 C ATOM 2043 CD GLU A 130 0.916 12.661 -2.504 1.00 0.00 C ATOM 2044 OE1 GLU A 130 0.681 13.854 -2.187 1.00 0.00 O ATOM 2045 OE2 GLU A 130 0.748 12.251 -3.677 1.00 0.00 O ATOM 0 H GLU A 130 0.093 8.887 0.966 1.00 0.00 H new ATOM 0 HA GLU A 130 2.170 10.962 0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.392 10.944 -0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.127 12.452 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.406 12.094 -1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.699 10.740 -1.905 1.00 0.00 H new ATOM 2052 N VAL A 131 1.010 11.907 3.041 1.00 0.00 N ATOM 2053 CA VAL A 131 0.363 12.370 4.287 1.00 0.00 C ATOM 2054 C VAL A 131 -0.646 13.463 3.927 1.00 0.00 C ATOM 2055 O VAL A 131 -0.254 14.527 3.448 1.00 0.00 O ATOM 2056 CB VAL A 131 1.373 12.886 5.341 1.00 0.00 C ATOM 2057 CG1 VAL A 131 0.650 13.200 6.664 1.00 0.00 C ATOM 2058 CG2 VAL A 131 2.484 11.867 5.608 1.00 0.00 C ATOM 0 H VAL A 131 1.950 12.275 2.897 1.00 0.00 H new ATOM 0 HA VAL A 131 -0.137 11.518 4.748 1.00 0.00 H new ATOM 0 HB VAL A 131 1.825 13.793 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.372 13.562 7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.107 13.965 6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.173 12.296 7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.172 12.266 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.046 10.940 5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.026 11.668 4.683 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.937 13.196 4.148 1.00 0.00 N ATOM 2069 CA VAL A 132 -3.028 14.127 3.787 1.00 0.00 C ATOM 2070 C VAL A 132 -3.467 15.019 4.960 1.00 0.00 C ATOM 2071 O VAL A 132 -3.960 16.123 4.732 1.00 0.00 O ATOM 2072 CB VAL A 132 -4.217 13.385 3.130 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -5.137 12.661 4.104 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -5.032 14.309 2.211 1.00 0.00 C ATOM 0 H VAL A 132 -2.262 12.332 4.581 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.622 14.807 3.038 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.746 12.606 2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -5.939 12.172 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.567 11.913 4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.564 13.380 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.857 13.749 1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.429 15.142 2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.390 14.693 1.418 1.00 0.00 H new ATOM 2084 N MET A 133 -3.253 14.570 6.206 1.00 0.00 N ATOM 2085 CA MET A 133 -3.591 15.300 7.437 1.00 0.00 C ATOM 2086 C MET A 133 -2.875 14.675 8.645 1.00 0.00 C ATOM 2087 O MET A 133 -2.997 13.476 8.888 1.00 0.00 O ATOM 2088 CB MET A 133 -5.126 15.338 7.604 1.00 0.00 C ATOM 2089 CG MET A 133 -5.599 15.931 8.935 1.00 0.00 C ATOM 2090 SD MET A 133 -5.021 17.609 9.318 1.00 0.00 S ATOM 2091 CE MET A 133 -5.827 18.539 7.989 1.00 0.00 C ATOM 0 H MET A 133 -2.827 13.662 6.390 1.00 0.00 H new ATOM 0 HA MET A 133 -3.241 16.330 7.370 1.00 0.00 H new ATOM 0 HB2 MET A 133 -5.555 15.919 6.788 1.00 0.00 H new ATOM 0 HB3 MET A 133 -5.515 14.324 7.512 1.00 0.00 H new ATOM 0 HG2 MET A 133 -6.689 15.935 8.940 1.00 0.00 H new ATOM 0 HG3 MET A 133 -5.279 15.267 9.738 1.00 0.00 H new ATOM 0 HE1 MET A 133 -5.647 19.605 8.130 1.00 0.00 H new ATOM 0 HE2 MET A 133 -5.420 18.226 7.027 1.00 0.00 H new ATOM 0 HE3 MET A 133 -6.900 18.347 8.009 1.00 0.00 H new ATOM 2101 N GLU A 134 -2.120 15.470 9.404 1.00 0.00 N ATOM 2102 CA GLU A 134 -1.386 15.005 10.587 1.00 0.00 C ATOM 2103 C GLU A 134 -2.311 14.987 11.818 1.00 0.00 C ATOM 2104 O GLU A 134 -2.934 16.004 12.145 1.00 0.00 O ATOM 2105 CB GLU A 134 -0.149 15.891 10.802 1.00 0.00 C ATOM 2106 CG GLU A 134 0.778 15.345 11.893 1.00 0.00 C ATOM 2107 CD GLU A 134 2.035 16.217 12.022 1.00 0.00 C ATOM 2108 OE1 GLU A 134 2.010 17.220 12.776 1.00 0.00 O ATOM 2109 OE2 GLU A 134 3.063 15.910 11.372 1.00 0.00 O ATOM 0 H GLU A 134 -1.998 16.465 9.215 1.00 0.00 H new ATOM 0 HA GLU A 134 -1.043 13.982 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 134 0.404 15.972 9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.469 16.898 11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.249 15.317 12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 134 1.063 14.320 11.656 1.00 0.00 H new ATOM 2116 N LYS A 135 -2.414 13.831 12.494 1.00 0.00 N ATOM 2117 CA LYS A 135 -3.300 13.639 13.659 1.00 0.00 C ATOM 2118 C LYS A 135 -2.701 14.092 14.998 1.00 0.00 C ATOM 2119 O LYS A 135 -3.527 14.385 15.895 1.00 0.00 O ATOM 2120 CB LYS A 135 -3.781 12.179 13.735 1.00 0.00 C ATOM 2121 CG LYS A 135 -4.934 11.874 12.774 1.00 0.00 C ATOM 2122 CD LYS A 135 -6.312 12.074 13.419 1.00 0.00 C ATOM 2123 CE LYS A 135 -6.620 13.499 13.909 1.00 0.00 C ATOM 2124 NZ LYS A 135 -6.220 13.764 15.325 1.00 0.00 N ATOM 2125 OXT LYS A 135 -1.461 14.136 15.164 1.00 0.00 O ATOM 0 H LYS A 135 -1.882 12.996 12.247 1.00 0.00 H new ATOM 0 HA LYS A 135 -4.153 14.297 13.493 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -2.945 11.516 13.512 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.098 11.960 14.755 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -4.851 12.517 11.898 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -4.847 10.845 12.424 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -7.076 11.785 12.697 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -6.399 11.392 14.265 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.110 14.211 13.261 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.689 13.683 13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -6.826 14.509 15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -6.328 12.894 15.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -5.227 14.073 15.353 1.00 0.00 H new