USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -31:sc= 0.37 USER MOD Single : A 39 SER OG : rot -17:sc= 0.382 USER MOD Single : A 40 CYS SG : rot 18:sc= 0.446! USER MOD Single : A 62 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.012) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0528 X(o=-0.053,f=-0.053) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -1.6 (180deg=-2.45) USER MOD Single : A 72 SER OG : rot -172:sc= 0.787 USER MOD Single : A 74 THR OG1 : rot 130:sc= -0.699 USER MOD Single : A 80 SER OG : rot -82:sc= 1.23 USER MOD Single : A 83 GLN : amide:sc= -0.0286 K(o=-0.029,f=-2.9!) USER MOD Single : A 84 LYS NZ :NH3+ -113:sc= -2.1 (180deg=-4.55!) USER MOD Single : A 85 ASN : amide:sc= 0.177 K(o=0.18,f=-0.76) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 0.0365 (180deg=-0.0668) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc=-0.00621 K(o=-0.0062,f=-1) USER MOD Single : A 98 MET CE :methyl 144:sc= 0 (180deg=-1.23) USER MOD Single : A 100 HIS : no HE2:sc= -3.68! C(o=-3.7!,f=-7.5!) USER MOD Single : A 105 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.023) USER MOD Single : A 108 THR OG1 : rot 68:sc= 0.991 USER MOD Single : A 109 ASN : amide:sc= -0.019 K(o=-0.019,f=-0.85) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 -1.952 -1.058 11.047 1.00 0.00 N ATOM 225 CA HIS A 19 -2.781 -1.385 9.892 1.00 0.00 C ATOM 226 C HIS A 19 -2.999 -2.888 9.750 1.00 0.00 C ATOM 227 O HIS A 19 -3.289 -3.360 8.663 1.00 0.00 O ATOM 228 CB HIS A 19 -2.134 -0.848 8.608 1.00 0.00 C ATOM 229 CG HIS A 19 -2.025 0.647 8.558 1.00 0.00 C ATOM 230 ND1 HIS A 19 -0.992 1.359 9.125 1.00 0.00 N ATOM 231 CD2 HIS A 19 -2.848 1.563 7.989 1.00 0.00 C ATOM 232 CE1 HIS A 19 -1.214 2.661 8.887 1.00 0.00 C ATOM 233 NE2 HIS A 19 -2.326 2.838 8.201 1.00 0.00 N ATOM 0 HA HIS A 19 -3.751 -0.914 10.050 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.137 -1.278 8.508 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.715 -1.188 7.751 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.761 1.340 7.457 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.566 3.460 9.215 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.722 3.725 7.890 1.00 0.00 H new ATOM 240 N THR A 20 -2.834 -3.643 10.829 1.00 0.00 N ATOM 241 CA THR A 20 -3.001 -5.094 10.758 1.00 0.00 C ATOM 242 C THR A 20 -4.472 -5.536 10.835 1.00 0.00 C ATOM 243 O THR A 20 -5.137 -5.370 11.861 1.00 0.00 O ATOM 244 CB THR A 20 -2.182 -5.812 11.860 1.00 0.00 C ATOM 245 OG1 THR A 20 -2.503 -7.207 11.892 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.431 -5.198 13.231 1.00 0.00 C ATOM 0 H THR A 20 -2.588 -3.284 11.752 1.00 0.00 H new ATOM 0 HA THR A 20 -2.622 -5.386 9.779 1.00 0.00 H new ATOM 0 HB THR A 20 -1.127 -5.688 11.616 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.977 -7.648 12.592 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.840 -5.727 13.979 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.142 -4.147 13.217 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.489 -5.280 13.480 1.00 0.00 H new ATOM 254 N LEU A 21 -4.965 -6.101 9.727 1.00 0.00 N ATOM 255 CA LEU A 21 -6.334 -6.617 9.631 1.00 0.00 C ATOM 256 C LEU A 21 -6.397 -7.732 8.582 1.00 0.00 C ATOM 257 O LEU A 21 -5.450 -7.916 7.820 1.00 0.00 O ATOM 258 CB LEU A 21 -7.338 -5.505 9.303 1.00 0.00 C ATOM 259 CG LEU A 21 -7.793 -4.667 10.503 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.552 -3.431 10.047 1.00 0.00 C ATOM 261 CD2 LEU A 21 -8.655 -5.501 11.442 1.00 0.00 C ATOM 0 H LEU A 21 -4.424 -6.213 8.870 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.612 -7.025 10.603 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.892 -4.840 8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.216 -5.954 8.839 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.904 -4.341 11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.864 -2.854 10.917 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.906 -2.819 9.418 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.431 -3.733 9.478 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.969 -4.889 12.288 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.535 -5.859 10.907 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.079 -6.353 11.804 1.00 0.00 H new ATOM 273 N LEU A 22 -7.501 -8.482 8.561 1.00 0.00 N ATOM 274 CA LEU A 22 -7.661 -9.598 7.617 1.00 0.00 C ATOM 275 C LEU A 22 -7.666 -9.154 6.146 1.00 0.00 C ATOM 276 O LEU A 22 -6.937 -9.715 5.326 1.00 0.00 O ATOM 277 CB LEU A 22 -8.956 -10.359 7.933 1.00 0.00 C ATOM 278 CG LEU A 22 -9.269 -11.540 7.006 1.00 0.00 C ATOM 279 CD1 LEU A 22 -8.183 -12.602 7.101 1.00 0.00 C ATOM 280 CD2 LEU A 22 -10.628 -12.134 7.346 1.00 0.00 C ATOM 0 H LEU A 22 -8.297 -8.340 9.183 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.794 -10.246 7.746 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.900 -10.728 8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.789 -9.657 7.893 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.297 -11.173 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.425 -13.431 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.225 -12.170 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.120 -12.967 8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.836 -12.971 6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.624 -12.484 8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.399 -11.373 7.224 1.00 0.00 H new ATOM 292 N PHE A 23 -8.482 -8.155 5.808 1.00 0.00 N ATOM 293 CA PHE A 23 -8.564 -7.671 4.424 1.00 0.00 C ATOM 294 C PHE A 23 -7.433 -6.700 4.108 1.00 0.00 C ATOM 295 O PHE A 23 -6.913 -6.659 2.992 1.00 0.00 O ATOM 296 CB PHE A 23 -9.917 -7.000 4.172 1.00 0.00 C ATOM 297 CG PHE A 23 -11.077 -7.954 4.198 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.801 -8.155 5.364 1.00 0.00 C ATOM 299 CD2 PHE A 23 -11.443 -8.653 3.058 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.868 -9.034 5.392 1.00 0.00 C ATOM 301 CE2 PHE A 23 -12.508 -9.532 3.081 1.00 0.00 C ATOM 302 CZ PHE A 23 -13.221 -9.724 4.247 1.00 0.00 C ATOM 0 H PHE A 23 -9.091 -7.667 6.465 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.465 -8.533 3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.076 -6.228 4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.890 -6.500 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.528 -7.619 6.261 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.889 -8.509 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.424 -9.181 6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.783 -10.070 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 23 -14.053 -10.412 4.265 1.00 0.00 H new ATOM 312 N ASP A 24 -7.073 -5.913 5.105 1.00 0.00 N ATOM 313 CA ASP A 24 -6.004 -4.934 4.986 1.00 0.00 C ATOM 314 C ASP A 24 -4.831 -5.338 5.858 1.00 0.00 C ATOM 315 O ASP A 24 -4.634 -4.772 6.925 1.00 0.00 O ATOM 316 CB ASP A 24 -6.453 -3.497 5.309 1.00 0.00 C ATOM 317 CG ASP A 24 -7.374 -3.378 6.508 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.417 -4.068 6.538 1.00 0.00 O ATOM 319 OD2 ASP A 24 -7.061 -2.576 7.410 1.00 0.00 O ATOM 0 H ASP A 24 -7.514 -5.934 6.024 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.698 -4.926 3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.568 -2.885 5.485 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.959 -3.084 4.436 1.00 0.00 H new ATOM 324 N LEU A 25 -4.128 -6.387 5.430 1.00 0.00 N ATOM 325 CA LEU A 25 -2.960 -6.918 6.143 1.00 0.00 C ATOM 326 C LEU A 25 -2.029 -5.785 6.608 1.00 0.00 C ATOM 327 O LEU A 25 -2.040 -4.697 6.029 1.00 0.00 O ATOM 328 CB LEU A 25 -2.190 -7.880 5.230 1.00 0.00 C ATOM 329 CG LEU A 25 -2.978 -9.114 4.780 1.00 0.00 C ATOM 330 CD1 LEU A 25 -2.192 -9.916 3.756 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.347 -9.984 5.973 1.00 0.00 C ATOM 0 H LEU A 25 -4.352 -6.896 4.575 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.313 -7.452 7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.863 -7.334 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.292 -8.211 5.751 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.899 -8.771 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.773 -10.787 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.989 -9.294 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.250 -10.244 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.906 -10.854 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.439 -10.312 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.961 -9.409 6.667 1.00 0.00 H new ATOM 343 N PRO A 26 -1.224 -6.042 7.675 1.00 0.00 N ATOM 344 CA PRO A 26 -0.283 -5.072 8.277 1.00 0.00 C ATOM 345 C PRO A 26 0.452 -4.176 7.268 1.00 0.00 C ATOM 346 O PRO A 26 0.489 -4.468 6.070 1.00 0.00 O ATOM 347 CB PRO A 26 0.727 -5.969 9.021 1.00 0.00 C ATOM 348 CG PRO A 26 0.264 -7.383 8.840 1.00 0.00 C ATOM 349 CD PRO A 26 -1.170 -7.316 8.399 1.00 0.00 C ATOM 0 HA PRO A 26 -0.822 -4.363 8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.731 -5.836 8.619 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.770 -5.708 10.079 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.873 -7.897 8.097 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.357 -7.942 9.771 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.437 -8.157 7.759 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.856 -7.330 9.246 1.00 0.00 H new ATOM 357 N PRO A 27 1.092 -3.083 7.767 1.00 0.00 N ATOM 358 CA PRO A 27 1.822 -2.105 6.939 1.00 0.00 C ATOM 359 C PRO A 27 2.804 -2.711 5.941 1.00 0.00 C ATOM 360 O PRO A 27 3.340 -1.998 5.108 1.00 0.00 O ATOM 361 CB PRO A 27 2.593 -1.271 7.954 1.00 0.00 C ATOM 362 CG PRO A 27 1.761 -1.324 9.177 1.00 0.00 C ATOM 363 CD PRO A 27 1.130 -2.694 9.192 1.00 0.00 C ATOM 0 HA PRO A 27 1.116 -1.552 6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.588 -1.680 8.131 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.727 -0.246 7.608 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.367 -1.164 10.069 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.000 -0.544 9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.717 -3.398 9.783 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.131 -2.669 9.626 1.00 0.00 H new ATOM 371 N ALA A 28 3.044 -4.011 6.024 1.00 0.00 N ATOM 372 CA ALA A 28 3.958 -4.677 5.111 1.00 0.00 C ATOM 373 C ALA A 28 3.556 -4.416 3.660 1.00 0.00 C ATOM 374 O ALA A 28 4.417 -4.292 2.790 1.00 0.00 O ATOM 375 CB ALA A 28 3.984 -6.171 5.396 1.00 0.00 C ATOM 0 H ALA A 28 2.617 -4.626 6.716 1.00 0.00 H new ATOM 0 HA ALA A 28 4.959 -4.273 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.672 -6.661 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.315 -6.340 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.984 -6.584 5.265 1.00 0.00 H new ATOM 381 N LEU A 29 2.250 -4.344 3.393 1.00 0.00 N ATOM 382 CA LEU A 29 1.792 -4.076 2.035 1.00 0.00 C ATOM 383 C LEU A 29 1.202 -2.667 1.872 1.00 0.00 C ATOM 384 O LEU A 29 1.877 -1.767 1.387 1.00 0.00 O ATOM 385 CB LEU A 29 0.771 -5.123 1.593 1.00 0.00 C ATOM 386 CG LEU A 29 0.903 -5.549 0.134 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.299 -6.095 -0.128 1.00 0.00 C ATOM 388 CD2 LEU A 29 -0.153 -6.581 -0.221 1.00 0.00 C ATOM 0 H LEU A 29 1.509 -4.465 4.083 1.00 0.00 H new ATOM 0 HA LEU A 29 2.673 -4.133 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.873 -6.004 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.232 -4.727 1.755 1.00 0.00 H new ATOM 0 HG LEU A 29 0.747 -4.676 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.382 -6.396 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.038 -5.323 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.479 -6.958 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.041 -6.871 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.032 -7.458 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.144 -6.155 -0.067 1.00 0.00 H new ATOM 400 N LEU A 30 -0.046 -2.472 2.308 1.00 0.00 N ATOM 401 CA LEU A 30 -0.731 -1.179 2.163 1.00 0.00 C ATOM 402 C LEU A 30 -0.029 -0.038 2.899 1.00 0.00 C ATOM 403 O LEU A 30 0.207 1.016 2.314 1.00 0.00 O ATOM 404 CB LEU A 30 -2.180 -1.294 2.665 1.00 0.00 C ATOM 405 CG LEU A 30 -3.017 -0.011 2.575 1.00 0.00 C ATOM 406 CD1 LEU A 30 -3.183 0.432 1.128 1.00 0.00 C ATOM 407 CD2 LEU A 30 -4.375 -0.213 3.230 1.00 0.00 C ATOM 0 H LEU A 30 -0.605 -3.192 2.765 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.711 -0.936 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.682 -2.075 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.160 -1.622 3.704 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.487 0.776 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.780 1.343 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.203 0.623 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.685 -0.353 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.955 0.707 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.907 -1.018 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.238 -0.473 4.280 1.00 0.00 H new ATOM 419 N GLY A 31 0.322 -0.252 4.166 1.00 0.00 N ATOM 420 CA GLY A 31 0.952 0.805 4.951 1.00 0.00 C ATOM 421 C GLY A 31 2.279 1.300 4.393 1.00 0.00 C ATOM 422 O GLY A 31 2.467 2.503 4.209 1.00 0.00 O ATOM 0 H GLY A 31 0.184 -1.132 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.264 1.648 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.112 0.440 5.966 1.00 0.00 H new ATOM 426 N GLU A 32 3.187 0.378 4.108 1.00 0.00 N ATOM 427 CA GLU A 32 4.503 0.725 3.585 1.00 0.00 C ATOM 428 C GLU A 32 4.444 1.232 2.148 1.00 0.00 C ATOM 429 O GLU A 32 5.108 2.211 1.812 1.00 0.00 O ATOM 430 CB GLU A 32 5.439 -0.482 3.706 1.00 0.00 C ATOM 431 CG GLU A 32 6.902 -0.176 3.407 1.00 0.00 C ATOM 432 CD GLU A 32 7.256 -0.354 1.944 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.556 -1.121 1.253 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.238 0.267 1.494 1.00 0.00 O ATOM 0 H GLU A 32 3.036 -0.623 4.231 1.00 0.00 H new ATOM 0 HA GLU A 32 4.895 1.547 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.364 -0.885 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.097 -1.262 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.122 0.849 3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.535 -0.827 4.010 1.00 0.00 H new ATOM 441 N LEU A 33 3.653 0.578 1.297 1.00 0.00 N ATOM 442 CA LEU A 33 3.560 0.989 -0.101 1.00 0.00 C ATOM 443 C LEU A 33 2.901 2.361 -0.248 1.00 0.00 C ATOM 444 O LEU A 33 3.311 3.153 -1.093 1.00 0.00 O ATOM 445 CB LEU A 33 2.830 -0.055 -0.956 1.00 0.00 C ATOM 446 CG LEU A 33 3.558 -1.396 -1.113 1.00 0.00 C ATOM 447 CD1 LEU A 33 2.697 -2.387 -1.878 1.00 0.00 C ATOM 448 CD2 LEU A 33 4.900 -1.204 -1.802 1.00 0.00 C ATOM 0 H LEU A 33 3.077 -0.226 1.547 1.00 0.00 H new ATOM 0 HA LEU A 33 4.583 1.068 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.850 -0.241 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.659 0.366 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 33 3.743 -1.802 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.232 -3.332 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.765 -2.553 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.476 -1.988 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.399 -2.168 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.743 -0.772 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.522 -0.534 -1.208 1.00 0.00 H new ATOM 460 N CYS A 34 1.877 2.646 0.556 1.00 0.00 N ATOM 461 CA CYS A 34 1.203 3.940 0.465 1.00 0.00 C ATOM 462 C CYS A 34 2.062 5.067 1.047 1.00 0.00 C ATOM 463 O CYS A 34 1.978 6.208 0.599 1.00 0.00 O ATOM 464 CB CYS A 34 -0.158 3.916 1.175 1.00 0.00 C ATOM 465 SG CYS A 34 -0.069 3.928 2.983 1.00 0.00 S ATOM 0 H CYS A 34 1.502 2.013 1.263 1.00 0.00 H new ATOM 0 HA CYS A 34 1.044 4.134 -0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.738 4.779 0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.702 3.027 0.858 1.00 0.00 H new ATOM 0 HG CYS A 34 1.010 3.315 3.368 1.00 0.00 H new ATOM 471 N ALA A 35 2.889 4.743 2.043 1.00 0.00 N ATOM 472 CA ALA A 35 3.738 5.746 2.686 1.00 0.00 C ATOM 473 C ALA A 35 5.067 5.969 1.960 1.00 0.00 C ATOM 474 O ALA A 35 5.395 7.097 1.595 1.00 0.00 O ATOM 475 CB ALA A 35 3.996 5.359 4.137 1.00 0.00 C ATOM 0 H ALA A 35 2.988 3.800 2.419 1.00 0.00 H new ATOM 0 HA ALA A 35 3.194 6.690 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.629 6.112 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.048 5.297 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.496 4.391 4.172 1.00 0.00 H new ATOM 481 N VAL A 36 5.827 4.892 1.761 1.00 0.00 N ATOM 482 CA VAL A 36 7.137 4.982 1.113 1.00 0.00 C ATOM 483 C VAL A 36 7.046 5.459 -0.337 1.00 0.00 C ATOM 484 O VAL A 36 7.803 6.341 -0.753 1.00 0.00 O ATOM 485 CB VAL A 36 7.893 3.633 1.188 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.151 3.654 0.326 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.250 3.318 2.633 1.00 0.00 C ATOM 0 H VAL A 36 5.559 3.948 2.039 1.00 0.00 H new ATOM 0 HA VAL A 36 7.701 5.733 1.666 1.00 0.00 H new ATOM 0 HB VAL A 36 7.236 2.854 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.659 2.693 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.877 3.841 -0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.817 4.444 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.782 2.367 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.886 4.109 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.338 3.252 3.227 1.00 0.00 H new ATOM 497 N LEU A 37 6.114 4.901 -1.108 1.00 0.00 N ATOM 498 CA LEU A 37 5.965 5.297 -2.505 1.00 0.00 C ATOM 499 C LEU A 37 5.370 6.697 -2.619 1.00 0.00 C ATOM 500 O LEU A 37 5.502 7.350 -3.650 1.00 0.00 O ATOM 501 CB LEU A 37 5.116 4.300 -3.293 1.00 0.00 C ATOM 502 CG LEU A 37 5.678 2.883 -3.386 1.00 0.00 C ATOM 503 CD1 LEU A 37 4.745 2.009 -4.197 1.00 0.00 C ATOM 504 CD2 LEU A 37 7.067 2.895 -4.002 1.00 0.00 C ATOM 0 H LEU A 37 5.460 4.184 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 37 6.965 5.304 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.128 4.250 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.980 4.685 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 37 5.758 2.473 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.153 1.000 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.767 1.976 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.642 2.421 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.449 1.876 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.017 3.320 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.733 3.498 -3.385 1.00 0.00 H new ATOM 516 N ASP A 38 4.700 7.150 -1.566 1.00 0.00 N ATOM 517 CA ASP A 38 4.094 8.480 -1.556 1.00 0.00 C ATOM 518 C ASP A 38 5.165 9.557 -1.715 1.00 0.00 C ATOM 519 O ASP A 38 4.959 10.561 -2.396 1.00 0.00 O ATOM 520 CB ASP A 38 3.316 8.710 -0.258 1.00 0.00 C ATOM 521 CG ASP A 38 2.463 9.961 -0.293 1.00 0.00 C ATOM 522 OD1 ASP A 38 2.124 10.419 -1.404 1.00 0.00 O ATOM 523 OD2 ASP A 38 2.127 10.481 0.791 1.00 0.00 O ATOM 0 H ASP A 38 4.562 6.617 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 38 3.402 8.542 -2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.678 7.847 -0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.018 8.779 0.573 1.00 0.00 H new ATOM 528 N SER A 39 6.307 9.333 -1.076 1.00 0.00 N ATOM 529 CA SER A 39 7.424 10.270 -1.137 1.00 0.00 C ATOM 530 C SER A 39 8.289 10.017 -2.375 1.00 0.00 C ATOM 531 O SER A 39 9.304 10.684 -2.584 1.00 0.00 O ATOM 532 CB SER A 39 8.270 10.169 0.134 1.00 0.00 C ATOM 533 OG SER A 39 8.844 8.878 0.279 1.00 0.00 O ATOM 0 H SER A 39 6.485 8.506 -0.506 1.00 0.00 H new ATOM 0 HA SER A 39 7.017 11.279 -1.211 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.061 10.918 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.651 10.392 1.003 1.00 0.00 H new ATOM 0 HG SER A 39 8.370 8.243 -0.297 1.00 0.00 H new ATOM 539 N CYS A 40 7.879 9.041 -3.183 1.00 0.00 N ATOM 540 CA CYS A 40 8.604 8.679 -4.396 1.00 0.00 C ATOM 541 C CYS A 40 8.609 9.817 -5.409 1.00 0.00 C ATOM 542 O CYS A 40 7.613 10.517 -5.589 1.00 0.00 O ATOM 543 CB CYS A 40 8.004 7.431 -5.034 1.00 0.00 C ATOM 544 SG CYS A 40 8.834 6.911 -6.543 1.00 0.00 S ATOM 0 H CYS A 40 7.041 8.484 -3.016 1.00 0.00 H new ATOM 0 HA CYS A 40 9.634 8.474 -4.104 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.038 6.614 -4.313 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.953 7.618 -5.255 1.00 0.00 H new ATOM 0 HG CYS A 40 10.009 7.465 -6.605 1.00 0.00 H new ATOM 550 N ASP A 41 9.741 9.979 -6.077 1.00 0.00 N ATOM 551 CA ASP A 41 9.903 11.029 -7.070 1.00 0.00 C ATOM 552 C ASP A 41 10.436 10.437 -8.370 1.00 0.00 C ATOM 553 O ASP A 41 11.275 11.033 -9.046 1.00 0.00 O ATOM 554 CB ASP A 41 10.853 12.111 -6.548 1.00 0.00 C ATOM 555 CG ASP A 41 10.627 13.452 -7.216 1.00 0.00 C ATOM 556 OD1 ASP A 41 9.577 13.622 -7.873 1.00 0.00 O ATOM 557 OD2 ASP A 41 11.499 14.336 -7.082 1.00 0.00 O ATOM 0 H ASP A 41 10.565 9.393 -5.948 1.00 0.00 H new ATOM 0 HA ASP A 41 8.932 11.486 -7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.720 12.218 -5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.883 11.796 -6.712 1.00 0.00 H new ATOM 562 N GLY A 42 9.937 9.253 -8.708 1.00 0.00 N ATOM 563 CA GLY A 42 10.356 8.575 -9.925 1.00 0.00 C ATOM 564 C GLY A 42 11.386 7.485 -9.675 1.00 0.00 C ATOM 565 O GLY A 42 11.604 6.636 -10.537 1.00 0.00 O ATOM 0 H GLY A 42 9.244 8.746 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.483 8.138 -10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.771 9.307 -10.617 1.00 0.00 H new ATOM 569 N ALA A 43 12.019 7.509 -8.502 1.00 0.00 N ATOM 570 CA ALA A 43 13.029 6.505 -8.150 1.00 0.00 C ATOM 571 C ALA A 43 12.432 5.099 -8.079 1.00 0.00 C ATOM 572 O ALA A 43 13.028 4.134 -8.553 1.00 0.00 O ATOM 573 CB ALA A 43 13.692 6.865 -6.829 1.00 0.00 C ATOM 0 H ALA A 43 11.852 8.210 -7.780 1.00 0.00 H new ATOM 0 HA ALA A 43 13.781 6.503 -8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.439 6.112 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.174 7.839 -6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.939 6.903 -6.042 1.00 0.00 H new ATOM 579 N LEU A 44 11.253 4.993 -7.470 1.00 0.00 N ATOM 580 CA LEU A 44 10.563 3.709 -7.349 1.00 0.00 C ATOM 581 C LEU A 44 9.341 3.682 -8.256 1.00 0.00 C ATOM 582 O LEU A 44 8.848 2.618 -8.627 1.00 0.00 O ATOM 583 CB LEU A 44 10.136 3.460 -5.896 1.00 0.00 C ATOM 584 CG LEU A 44 11.289 3.317 -4.894 1.00 0.00 C ATOM 585 CD1 LEU A 44 10.766 3.341 -3.468 1.00 0.00 C ATOM 586 CD2 LEU A 44 12.058 2.030 -5.155 1.00 0.00 C ATOM 0 H LEU A 44 10.755 5.779 -7.053 1.00 0.00 H new ATOM 0 HA LEU A 44 11.252 2.920 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.497 4.283 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.531 2.554 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 44 11.966 4.161 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.599 3.238 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.254 4.286 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.068 2.516 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.873 1.941 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.387 1.177 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.465 2.048 -6.166 1.00 0.00 H new ATOM 598 N GLY A 45 8.869 4.874 -8.611 1.00 0.00 N ATOM 599 CA GLY A 45 7.703 5.004 -9.458 1.00 0.00 C ATOM 600 C GLY A 45 6.409 4.733 -8.713 1.00 0.00 C ATOM 601 O GLY A 45 6.124 3.585 -8.375 1.00 0.00 O ATOM 0 H GLY A 45 9.282 5.761 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.673 6.010 -9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.788 4.312 -10.296 1.00 0.00 H new ATOM 605 N TRP A 46 5.630 5.785 -8.432 1.00 0.00 N ATOM 606 CA TRP A 46 4.341 5.615 -7.746 1.00 0.00 C ATOM 607 C TRP A 46 3.479 4.578 -8.479 1.00 0.00 C ATOM 608 O TRP A 46 2.953 3.652 -7.861 1.00 0.00 O ATOM 609 CB TRP A 46 3.599 6.958 -7.633 1.00 0.00 C ATOM 610 CG TRP A 46 3.644 7.797 -8.880 1.00 0.00 C ATOM 611 CD1 TRP A 46 2.737 7.806 -9.897 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.657 8.746 -9.237 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.121 8.700 -10.865 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.296 9.288 -10.484 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.833 9.188 -8.624 1.00 0.00 C ATOM 616 CZ2 TRP A 46 5.069 10.247 -11.130 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.599 10.140 -9.266 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.214 10.662 -10.508 1.00 0.00 C ATOM 0 H TRP A 46 5.864 6.750 -8.665 1.00 0.00 H new ATOM 0 HA TRP A 46 4.535 5.252 -6.737 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.557 6.764 -7.377 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.028 7.529 -6.810 1.00 0.00 H new ATOM 0 HD1 TRP A 46 1.845 7.198 -9.936 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.613 8.894 -11.728 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.136 8.792 -7.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.776 10.649 -12.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.510 10.488 -8.803 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.834 11.407 -10.984 1.00 0.00 H new ATOM 629 N ARG A 47 3.326 4.749 -9.791 1.00 0.00 N ATOM 630 CA ARG A 47 2.573 3.797 -10.604 1.00 0.00 C ATOM 631 C ARG A 47 3.452 2.631 -11.038 1.00 0.00 C ATOM 632 O ARG A 47 2.985 1.742 -11.726 1.00 0.00 O ATOM 633 CB ARG A 47 1.959 4.443 -11.851 1.00 0.00 C ATOM 634 CG ARG A 47 2.929 5.286 -12.662 1.00 0.00 C ATOM 635 CD ARG A 47 2.858 4.951 -14.143 1.00 0.00 C ATOM 636 NE ARG A 47 3.834 3.931 -14.523 1.00 0.00 N ATOM 637 CZ ARG A 47 4.943 4.185 -15.215 1.00 0.00 C ATOM 638 NH1 ARG A 47 5.781 3.200 -15.509 1.00 0.00 N ATOM 639 NH2 ARG A 47 5.214 5.422 -15.614 1.00 0.00 N ATOM 0 H ARG A 47 3.713 5.536 -10.312 1.00 0.00 H new ATOM 0 HA ARG A 47 1.763 3.437 -9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.556 3.658 -12.491 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.120 5.068 -11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.704 6.342 -12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.944 5.123 -12.300 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.855 4.601 -14.388 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.032 5.854 -14.727 1.00 0.00 H new ATOM 0 HE ARG A 47 3.655 2.967 -14.241 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.576 2.248 -15.205 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.631 3.394 -16.039 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.572 6.182 -15.391 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.065 5.612 -16.144 1.00 0.00 H new ATOM 653 N GLY A 48 4.718 2.633 -10.643 1.00 0.00 N ATOM 654 CA GLY A 48 5.626 1.576 -11.061 1.00 0.00 C ATOM 655 C GLY A 48 5.157 0.197 -10.652 1.00 0.00 C ATOM 656 O GLY A 48 5.236 -0.746 -11.438 1.00 0.00 O ATOM 0 H GLY A 48 5.134 3.344 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.738 1.609 -12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.611 1.760 -10.633 1.00 0.00 H new ATOM 660 N LEU A 49 4.662 0.073 -9.429 1.00 0.00 N ATOM 661 CA LEU A 49 4.170 -1.208 -8.947 1.00 0.00 C ATOM 662 C LEU A 49 2.742 -1.471 -9.432 1.00 0.00 C ATOM 663 O LEU A 49 2.414 -2.582 -9.851 1.00 0.00 O ATOM 664 CB LEU A 49 4.236 -1.251 -7.418 1.00 0.00 C ATOM 665 CG LEU A 49 5.642 -1.087 -6.829 1.00 0.00 C ATOM 666 CD1 LEU A 49 5.588 -1.081 -5.312 1.00 0.00 C ATOM 667 CD2 LEU A 49 6.557 -2.195 -7.319 1.00 0.00 C ATOM 0 H LEU A 49 4.591 0.837 -8.758 1.00 0.00 H new ATOM 0 HA LEU A 49 4.807 -1.994 -9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.596 -0.464 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.823 -2.201 -7.077 1.00 0.00 H new ATOM 0 HG LEU A 49 6.044 -0.131 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.595 -0.964 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.965 -0.253 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.165 -2.022 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.551 -2.062 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.156 -3.161 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.623 -2.158 -8.406 1.00 0.00 H new ATOM 679 N ALA A 50 1.898 -0.440 -9.383 1.00 0.00 N ATOM 680 CA ALA A 50 0.503 -0.562 -9.814 1.00 0.00 C ATOM 681 C ALA A 50 0.362 -0.865 -11.306 1.00 0.00 C ATOM 682 O ALA A 50 -0.462 -1.690 -11.700 1.00 0.00 O ATOM 683 CB ALA A 50 -0.254 0.709 -9.489 1.00 0.00 C ATOM 0 H ALA A 50 2.155 0.489 -9.049 1.00 0.00 H new ATOM 0 HA ALA A 50 0.083 -1.407 -9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.290 0.609 -9.813 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.226 0.884 -8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.208 1.550 -10.006 1.00 0.00 H new ATOM 689 N GLU A 51 1.176 -0.196 -12.120 1.00 0.00 N ATOM 690 CA GLU A 51 1.135 -0.354 -13.570 1.00 0.00 C ATOM 691 C GLU A 51 1.454 -1.795 -13.977 1.00 0.00 C ATOM 692 O GLU A 51 0.832 -2.340 -14.890 1.00 0.00 O ATOM 693 CB GLU A 51 2.117 0.626 -14.241 1.00 0.00 C ATOM 694 CG GLU A 51 2.114 0.569 -15.764 1.00 0.00 C ATOM 695 CD GLU A 51 0.792 1.001 -16.373 1.00 0.00 C ATOM 696 OE1 GLU A 51 0.018 1.703 -15.686 1.00 0.00 O ATOM 697 OE2 GLU A 51 0.531 0.639 -17.538 1.00 0.00 O ATOM 0 H GLU A 51 1.879 0.467 -11.794 1.00 0.00 H new ATOM 0 HA GLU A 51 0.124 -0.126 -13.908 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.872 1.640 -13.926 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.125 0.415 -13.883 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.910 1.208 -16.147 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.340 -0.448 -16.084 1.00 0.00 H new ATOM 704 N ARG A 52 2.444 -2.398 -13.312 1.00 0.00 N ATOM 705 CA ARG A 52 2.826 -3.781 -13.602 1.00 0.00 C ATOM 706 C ARG A 52 1.691 -4.748 -13.273 1.00 0.00 C ATOM 707 O ARG A 52 1.450 -5.709 -14.005 1.00 0.00 O ATOM 708 CB ARG A 52 4.073 -4.191 -12.807 1.00 0.00 C ATOM 709 CG ARG A 52 5.358 -3.515 -13.258 1.00 0.00 C ATOM 710 CD ARG A 52 6.554 -4.025 -12.464 1.00 0.00 C ATOM 711 NE ARG A 52 7.799 -3.368 -12.860 1.00 0.00 N ATOM 712 CZ ARG A 52 8.539 -3.747 -13.901 1.00 0.00 C ATOM 713 NH1 ARG A 52 9.655 -3.091 -14.194 1.00 0.00 N ATOM 714 NH2 ARG A 52 8.165 -4.782 -14.643 1.00 0.00 N ATOM 0 H ARG A 52 2.991 -1.953 -12.575 1.00 0.00 H new ATOM 0 HA ARG A 52 3.045 -3.832 -14.668 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.908 -3.964 -11.754 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.199 -5.271 -12.884 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.517 -3.701 -14.320 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.268 -2.436 -13.133 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.380 -3.859 -11.401 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.651 -5.101 -12.607 1.00 0.00 H new ATOM 0 HE ARG A 52 8.120 -2.573 -12.307 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.945 -2.298 -13.622 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.222 -3.380 -14.991 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.309 -5.289 -14.417 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.733 -5.070 -15.440 1.00 0.00 H new ATOM 851 N ASP A 61 -4.419 9.129 -14.796 1.00 0.00 N ATOM 852 CA ASP A 61 -5.033 10.420 -14.499 1.00 0.00 C ATOM 853 C ASP A 61 -5.413 10.502 -13.020 1.00 0.00 C ATOM 854 O ASP A 61 -5.119 11.492 -12.351 1.00 0.00 O ATOM 855 CB ASP A 61 -6.271 10.636 -15.377 1.00 0.00 C ATOM 856 CG ASP A 61 -6.899 12.001 -15.181 1.00 0.00 C ATOM 857 OD1 ASP A 61 -6.209 13.013 -15.430 1.00 0.00 O ATOM 858 OD2 ASP A 61 -8.084 12.056 -14.796 1.00 0.00 O ATOM 0 HA ASP A 61 -4.309 11.205 -14.717 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.994 10.516 -16.424 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.009 9.866 -15.152 1.00 0.00 H new ATOM 863 N HIS A 62 -6.055 9.449 -12.518 1.00 0.00 N ATOM 864 CA HIS A 62 -6.451 9.389 -11.114 1.00 0.00 C ATOM 865 C HIS A 62 -5.223 9.172 -10.227 1.00 0.00 C ATOM 866 O HIS A 62 -5.196 9.607 -9.073 1.00 0.00 O ATOM 867 CB HIS A 62 -7.484 8.284 -10.883 1.00 0.00 C ATOM 868 CG HIS A 62 -8.406 8.571 -9.736 1.00 0.00 C ATOM 869 ND1 HIS A 62 -9.404 9.519 -9.777 1.00 0.00 N ATOM 870 CD2 HIS A 62 -8.466 8.021 -8.496 1.00 0.00 C ATOM 871 CE1 HIS A 62 -10.024 9.517 -8.588 1.00 0.00 C ATOM 872 NE2 HIS A 62 -9.493 8.624 -7.777 1.00 0.00 N ATOM 0 H HIS A 62 -6.312 8.626 -13.063 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.912 10.340 -10.847 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.073 8.150 -11.790 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.966 7.343 -10.698 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.819 7.239 -8.126 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.850 10.163 -8.329 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.777 8.418 -6.819 1.00 0.00 H new ATOM 879 N ILE A 63 -4.208 8.494 -10.777 1.00 0.00 N ATOM 880 CA ILE A 63 -2.963 8.237 -10.050 1.00 0.00 C ATOM 881 C ILE A 63 -2.303 9.565 -9.662 1.00 0.00 C ATOM 882 O ILE A 63 -1.797 9.728 -8.553 1.00 0.00 O ATOM 883 CB ILE A 63 -1.971 7.386 -10.887 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.488 5.952 -11.046 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.590 7.374 -10.250 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.695 5.122 -12.032 1.00 0.00 C ATOM 0 H ILE A 63 -4.227 8.114 -11.723 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.215 7.671 -9.153 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.892 7.842 -11.874 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.470 5.459 -10.074 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.529 5.985 -11.368 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.085 6.771 -10.857 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.209 8.393 -10.188 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.655 6.949 -9.248 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.121 4.120 -12.090 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.734 5.590 -13.016 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.658 5.057 -11.702 1.00 0.00 H new ATOM 898 N GLU A 64 -2.294 10.502 -10.598 1.00 0.00 N ATOM 899 CA GLU A 64 -1.723 11.821 -10.357 1.00 0.00 C ATOM 900 C GLU A 64 -2.555 12.609 -9.335 1.00 0.00 C ATOM 901 O GLU A 64 -2.016 13.371 -8.537 1.00 0.00 O ATOM 902 CB GLU A 64 -1.638 12.606 -11.671 1.00 0.00 C ATOM 903 CG GLU A 64 -0.637 12.035 -12.668 1.00 0.00 C ATOM 904 CD GLU A 64 0.779 11.984 -12.127 1.00 0.00 C ATOM 905 OE1 GLU A 64 1.248 13.010 -11.588 1.00 0.00 O ATOM 906 OE2 GLU A 64 1.421 10.919 -12.245 1.00 0.00 O ATOM 0 H GLU A 64 -2.677 10.374 -11.535 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.721 11.684 -9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.625 12.628 -12.134 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.367 13.638 -11.449 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.948 11.029 -12.950 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.651 12.640 -13.575 1.00 0.00 H new ATOM 913 N LYS A 65 -3.873 12.429 -9.384 1.00 0.00 N ATOM 914 CA LYS A 65 -4.800 13.148 -8.500 1.00 0.00 C ATOM 915 C LYS A 65 -4.610 12.863 -6.998 1.00 0.00 C ATOM 916 O LYS A 65 -4.544 13.799 -6.202 1.00 0.00 O ATOM 917 CB LYS A 65 -6.236 12.801 -8.899 1.00 0.00 C ATOM 918 CG LYS A 65 -6.655 13.387 -10.239 1.00 0.00 C ATOM 919 CD LYS A 65 -8.066 12.967 -10.617 1.00 0.00 C ATOM 920 CE LYS A 65 -8.492 13.581 -11.938 1.00 0.00 C ATOM 921 NZ LYS A 65 -9.864 13.160 -12.331 1.00 0.00 N ATOM 0 H LYS A 65 -4.330 11.787 -10.031 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.584 14.208 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.342 11.717 -8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.916 13.160 -8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.598 14.475 -10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.959 13.063 -11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.118 11.880 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.760 13.270 -9.833 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.454 14.668 -11.862 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.787 13.291 -12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.116 13.601 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.895 12.125 -12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.541 13.459 -11.601 1.00 0.00 H new ATOM 935 N GLU A 66 -4.519 11.593 -6.599 1.00 0.00 N ATOM 936 CA GLU A 66 -4.367 11.271 -5.171 1.00 0.00 C ATOM 937 C GLU A 66 -2.908 11.198 -4.723 1.00 0.00 C ATOM 938 O GLU A 66 -2.647 10.976 -3.543 1.00 0.00 O ATOM 939 CB GLU A 66 -5.107 9.984 -4.765 1.00 0.00 C ATOM 940 CG GLU A 66 -6.404 9.743 -5.527 1.00 0.00 C ATOM 941 CD GLU A 66 -7.265 8.672 -4.889 1.00 0.00 C ATOM 942 OE1 GLU A 66 -7.966 8.986 -3.903 1.00 0.00 O ATOM 943 OE2 GLU A 66 -7.237 7.520 -5.368 1.00 0.00 O ATOM 0 H GLU A 66 -4.546 10.786 -7.223 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.833 12.108 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.444 9.133 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.328 10.026 -3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.968 10.674 -5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.171 9.454 -6.552 1.00 0.00 H new ATOM 950 N VAL A 67 -1.956 11.354 -5.646 1.00 0.00 N ATOM 951 CA VAL A 67 -0.534 11.282 -5.284 1.00 0.00 C ATOM 952 C VAL A 67 -0.185 12.288 -4.175 1.00 0.00 C ATOM 953 O VAL A 67 0.652 12.014 -3.319 1.00 0.00 O ATOM 954 CB VAL A 67 0.397 11.484 -6.514 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.488 12.948 -6.925 1.00 0.00 C ATOM 956 CG2 VAL A 67 1.783 10.920 -6.236 1.00 0.00 C ATOM 0 H VAL A 67 -2.137 11.528 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.362 10.276 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.044 10.938 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.148 13.044 -7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.505 13.315 -7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.886 13.534 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.419 11.071 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.218 11.431 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.706 9.854 -6.023 1.00 0.00 H new ATOM 966 N ASP A 68 -0.846 13.445 -4.186 1.00 0.00 N ATOM 967 CA ASP A 68 -0.619 14.469 -3.168 1.00 0.00 C ATOM 968 C ASP A 68 -1.546 14.261 -1.971 1.00 0.00 C ATOM 969 O ASP A 68 -1.445 14.961 -0.963 1.00 0.00 O ATOM 970 CB ASP A 68 -0.826 15.874 -3.745 1.00 0.00 C ATOM 971 CG ASP A 68 0.276 16.285 -4.702 1.00 0.00 C ATOM 972 OD1 ASP A 68 1.335 15.622 -4.710 1.00 0.00 O ATOM 973 OD2 ASP A 68 0.078 17.270 -5.444 1.00 0.00 O ATOM 0 H ASP A 68 -1.542 13.696 -4.888 1.00 0.00 H new ATOM 0 HA ASP A 68 0.415 14.377 -2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.784 15.911 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.878 16.593 -2.928 1.00 0.00 H new ATOM 978 N GLN A 69 -2.442 13.285 -2.088 1.00 0.00 N ATOM 979 CA GLN A 69 -3.415 12.985 -1.040 1.00 0.00 C ATOM 980 C GLN A 69 -3.053 11.709 -0.276 1.00 0.00 C ATOM 981 O GLN A 69 -3.914 11.092 0.349 1.00 0.00 O ATOM 982 CB GLN A 69 -4.817 12.845 -1.642 1.00 0.00 C ATOM 983 CG GLN A 69 -5.309 14.093 -2.361 1.00 0.00 C ATOM 984 CD GLN A 69 -5.390 15.302 -1.450 1.00 0.00 C ATOM 985 OE1 GLN A 69 -6.067 15.275 -0.422 1.00 0.00 O ATOM 986 NE2 GLN A 69 -4.703 16.373 -1.822 1.00 0.00 N ATOM 0 H GLN A 69 -2.515 12.682 -2.907 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.400 13.816 -0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.819 12.010 -2.343 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.520 12.595 -0.847 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.641 14.315 -3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.293 13.898 -2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.154 16.354 -2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.723 17.216 -1.249 1.00 0.00 H new ATOM 995 N GLY A 70 -1.783 11.321 -0.319 1.00 0.00 N ATOM 996 CA GLY A 70 -1.358 10.119 0.383 1.00 0.00 C ATOM 997 C GLY A 70 -1.120 8.920 -0.521 1.00 0.00 C ATOM 998 O GLY A 70 -1.184 7.787 -0.049 1.00 0.00 O ATOM 0 H GLY A 70 -1.044 11.811 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.440 10.336 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.114 9.857 1.123 1.00 0.00 H new ATOM 1002 N LYS A 71 -0.890 9.191 -1.822 1.00 0.00 N ATOM 1003 CA LYS A 71 -0.583 8.166 -2.846 1.00 0.00 C ATOM 1004 C LYS A 71 -1.831 7.700 -3.589 1.00 0.00 C ATOM 1005 O LYS A 71 -2.912 7.575 -3.024 1.00 0.00 O ATOM 1006 CB LYS A 71 0.155 6.948 -2.256 1.00 0.00 C ATOM 1007 CG LYS A 71 0.332 5.770 -3.218 1.00 0.00 C ATOM 1008 CD LYS A 71 1.137 6.147 -4.460 1.00 0.00 C ATOM 1009 CE LYS A 71 2.535 6.584 -4.108 1.00 0.00 C ATOM 1010 NZ LYS A 71 2.834 7.957 -4.604 1.00 0.00 N ATOM 0 H LYS A 71 -0.912 10.139 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 71 0.081 8.656 -3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.139 7.269 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.391 6.602 -1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.832 4.953 -2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.648 5.402 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.182 5.294 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.628 6.950 -4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.662 6.554 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.252 5.881 -4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.863 8.104 -4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.454 8.069 -5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.394 8.657 -3.974 1.00 0.00 H new ATOM 1024 N SER A 72 -1.656 7.478 -4.884 1.00 0.00 N ATOM 1025 CA SER A 72 -2.713 6.985 -5.745 1.00 0.00 C ATOM 1026 C SER A 72 -2.214 5.796 -6.553 1.00 0.00 C ATOM 1027 O SER A 72 -2.979 4.915 -6.899 1.00 0.00 O ATOM 1028 CB SER A 72 -3.182 8.076 -6.685 1.00 0.00 C ATOM 1029 OG SER A 72 -4.482 7.805 -7.178 1.00 0.00 O ATOM 0 H SER A 72 -0.771 7.637 -5.366 1.00 0.00 H new ATOM 0 HA SER A 72 -3.550 6.673 -5.120 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.180 9.034 -6.164 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.486 8.165 -7.519 1.00 0.00 H new ATOM 0 HG SER A 72 -4.712 8.459 -7.871 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.922 5.778 -6.857 1.00 0.00 N ATOM 1036 CA GLY A 73 -0.367 4.674 -7.623 1.00 0.00 C ATOM 1037 C GLY A 73 -0.670 3.332 -6.987 1.00 0.00 C ATOM 1038 O GLY A 73 -1.431 2.538 -7.532 1.00 0.00 O ATOM 0 H GLY A 73 -0.252 6.500 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.772 4.695 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.712 4.799 -7.709 1.00 0.00 H new ATOM 1042 N THR A 74 -0.111 3.090 -5.814 1.00 0.00 N ATOM 1043 CA THR A 74 -0.333 1.843 -5.112 1.00 0.00 C ATOM 1044 C THR A 74 -1.583 1.891 -4.239 1.00 0.00 C ATOM 1045 O THR A 74 -2.293 0.890 -4.111 1.00 0.00 O ATOM 1046 CB THR A 74 0.890 1.486 -4.248 1.00 0.00 C ATOM 1047 OG1 THR A 74 1.616 2.680 -3.926 1.00 0.00 O ATOM 1048 CG2 THR A 74 1.793 0.504 -4.979 1.00 0.00 C ATOM 0 H THR A 74 0.502 3.745 -5.328 1.00 0.00 H new ATOM 0 HA THR A 74 -0.483 1.073 -5.869 1.00 0.00 H new ATOM 0 HB THR A 74 0.546 1.014 -3.328 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.784 2.711 -2.961 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.652 0.264 -4.352 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.237 -0.408 -5.198 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.138 0.951 -5.911 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.856 3.054 -3.646 1.00 0.00 N ATOM 1057 CA ARG A 75 -3.012 3.210 -2.767 1.00 0.00 C ATOM 1058 C ARG A 75 -4.330 2.986 -3.511 1.00 0.00 C ATOM 1059 O ARG A 75 -5.189 2.250 -3.037 1.00 0.00 O ATOM 1060 CB ARG A 75 -3.022 4.595 -2.116 1.00 0.00 C ATOM 1061 CG ARG A 75 -4.097 4.739 -1.052 1.00 0.00 C ATOM 1062 CD ARG A 75 -4.066 6.105 -0.392 1.00 0.00 C ATOM 1063 NE ARG A 75 -5.091 6.232 0.643 1.00 0.00 N ATOM 1064 CZ ARG A 75 -5.278 7.333 1.363 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -6.232 7.372 2.282 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -4.509 8.395 1.159 1.00 0.00 N ATOM 0 H ARG A 75 -1.294 3.898 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.923 2.448 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.047 4.788 -1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.175 5.352 -2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.076 4.576 -1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.962 3.967 -0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.083 6.274 0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.215 6.877 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.696 5.431 0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.824 6.556 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.374 8.218 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.776 8.365 0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.651 9.241 1.711 1.00 0.00 H new ATOM 1080 N GLU A 76 -4.478 3.607 -4.685 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.703 3.472 -5.479 1.00 0.00 C ATOM 1082 C GLU A 76 -5.925 2.026 -5.906 1.00 0.00 C ATOM 1083 O GLU A 76 -7.053 1.535 -5.893 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.655 4.379 -6.716 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.893 4.294 -7.591 1.00 0.00 C ATOM 1086 CD GLU A 76 -6.760 5.072 -8.886 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -5.700 5.694 -9.104 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -7.717 5.051 -9.688 1.00 0.00 O ATOM 0 H GLU A 76 -3.768 4.206 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.537 3.779 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.521 5.411 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.782 4.116 -7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.097 3.248 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.751 4.671 -7.034 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.848 1.358 -6.306 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.928 -0.035 -6.736 1.00 0.00 C ATOM 1097 C LEU A 77 -5.434 -0.929 -5.604 1.00 0.00 C ATOM 1098 O LEU A 77 -6.320 -1.758 -5.809 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.551 -0.520 -7.204 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.492 -1.979 -7.666 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.378 -2.195 -8.883 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -2.058 -2.381 -7.967 1.00 0.00 C ATOM 0 H LEU A 77 -3.910 1.757 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.634 -0.095 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.219 0.117 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.840 -0.386 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.865 -2.611 -6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.321 -3.238 -9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.409 -1.947 -8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.040 -1.554 -9.698 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.033 -3.420 -8.294 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.659 -1.743 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.452 -2.269 -7.068 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.862 -0.758 -4.418 1.00 0.00 N ATOM 1115 CA LEU A 78 -5.253 -1.549 -3.255 1.00 0.00 C ATOM 1116 C LEU A 78 -6.645 -1.150 -2.739 1.00 0.00 C ATOM 1117 O LEU A 78 -7.451 -2.000 -2.366 1.00 0.00 O ATOM 1118 CB LEU A 78 -4.204 -1.390 -2.142 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.785 -1.837 -2.521 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.830 -1.653 -1.352 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.780 -3.283 -2.995 1.00 0.00 C ATOM 0 H LEU A 78 -4.124 -0.078 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.304 -2.595 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.171 -0.343 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.529 -1.961 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.443 -1.209 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.831 -1.976 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.802 -0.601 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.171 -2.249 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.764 -3.576 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.149 -3.928 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.423 -3.382 -3.869 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.921 0.151 -2.755 1.00 0.00 N ATOM 1134 CA TRP A 79 -8.192 0.706 -2.268 1.00 0.00 C ATOM 1135 C TRP A 79 -9.350 0.499 -3.256 1.00 0.00 C ATOM 1136 O TRP A 79 -10.498 0.800 -2.934 1.00 0.00 O ATOM 1137 CB TRP A 79 -8.020 2.202 -1.979 1.00 0.00 C ATOM 1138 CG TRP A 79 -9.003 2.753 -0.988 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -10.117 3.493 -1.267 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.952 2.624 0.439 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -10.766 3.822 -0.101 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -10.071 3.301 0.959 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -8.073 1.997 1.326 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -10.331 3.370 2.326 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -8.331 2.066 2.681 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -9.452 2.748 3.169 1.00 0.00 C ATOM 0 H TRP A 79 -6.272 0.856 -3.105 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.451 0.168 -1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.010 2.375 -1.607 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.115 2.755 -2.914 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -10.440 3.777 -2.258 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -11.626 4.366 -0.035 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.207 1.467 0.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.195 3.895 2.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.657 1.586 3.375 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.626 2.784 4.234 1.00 0.00 H new ATOM 1157 N SER A 80 -9.050 0.000 -4.454 1.00 0.00 N ATOM 1158 CA SER A 80 -10.077 -0.195 -5.486 1.00 0.00 C ATOM 1159 C SER A 80 -11.208 -1.121 -5.028 1.00 0.00 C ATOM 1160 O SER A 80 -12.370 -0.886 -5.361 1.00 0.00 O ATOM 1161 CB SER A 80 -9.443 -0.745 -6.765 1.00 0.00 C ATOM 1162 OG SER A 80 -8.854 -2.017 -6.543 1.00 0.00 O ATOM 0 H SER A 80 -8.110 -0.277 -4.737 1.00 0.00 H new ATOM 0 HA SER A 80 -10.518 0.783 -5.681 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.201 -0.824 -7.544 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.686 -0.049 -7.126 1.00 0.00 H new ATOM 0 HG SER A 80 -7.963 -1.901 -6.153 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.880 -2.175 -4.285 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.907 -3.096 -3.803 1.00 0.00 C ATOM 1170 C TRP A 81 -12.484 -2.621 -2.468 1.00 0.00 C ATOM 1171 O TRP A 81 -13.462 -1.874 -2.433 1.00 0.00 O ATOM 1172 CB TRP A 81 -11.331 -4.510 -3.671 1.00 0.00 C ATOM 1173 CG TRP A 81 -11.282 -5.255 -4.968 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -10.188 -5.451 -5.761 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -12.375 -5.912 -5.621 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -10.535 -6.186 -6.867 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.871 -6.483 -6.806 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.731 -6.074 -5.319 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -12.675 -7.200 -7.688 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -14.528 -6.790 -6.197 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -13.997 -7.345 -7.367 1.00 0.00 C ATOM 0 H TRP A 81 -9.927 -2.411 -4.007 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.718 -3.117 -4.530 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -10.324 -4.447 -3.258 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.933 -5.074 -2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -9.195 -5.082 -5.549 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -9.900 -6.466 -7.614 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.149 -5.649 -4.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.269 -7.627 -8.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -15.577 -6.922 -5.975 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -14.644 -7.899 -8.030 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.884 -3.069 -1.369 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.316 -2.661 -0.035 1.00 0.00 C ATOM 1194 C ALA A 82 -11.278 -1.724 0.573 1.00 0.00 C ATOM 1195 O ALA A 82 -11.384 -0.504 0.465 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.544 -3.881 0.851 1.00 0.00 C ATOM 0 H ALA A 82 -11.096 -3.716 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.264 -2.128 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.865 -3.557 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.314 -4.513 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.616 -4.446 0.938 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.277 -2.312 1.220 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.181 -1.547 1.799 1.00 0.00 C ATOM 1204 C GLN A 83 -7.920 -1.843 0.997 1.00 0.00 C ATOM 1205 O GLN A 83 -7.266 -0.938 0.486 1.00 0.00 O ATOM 1206 CB GLN A 83 -8.972 -1.897 3.277 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.197 -1.664 4.151 1.00 0.00 C ATOM 1208 CD GLN A 83 -10.996 -2.932 4.393 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -10.930 -3.879 3.611 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -11.756 -2.956 5.479 1.00 0.00 N ATOM 0 H GLN A 83 -10.203 -3.320 1.356 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.418 -0.484 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.679 -2.944 3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.144 -1.305 3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.881 -1.251 5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.839 -0.920 3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.782 -2.148 6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.315 -3.782 5.692 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.575 -3.127 0.922 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.436 -3.569 0.128 1.00 0.00 C ATOM 1221 C LYS A 84 -6.848 -4.771 -0.729 1.00 0.00 C ATOM 1222 O LYS A 84 -6.520 -4.839 -1.915 1.00 0.00 O ATOM 1223 CB LYS A 84 -5.238 -3.912 1.032 1.00 0.00 C ATOM 1224 CG LYS A 84 -4.210 -4.825 0.375 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.908 -4.893 1.157 1.00 0.00 C ATOM 1226 CE LYS A 84 -3.108 -5.508 2.529 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.763 -6.843 2.448 1.00 0.00 N ATOM 0 H LYS A 84 -8.070 -3.878 1.403 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.123 -2.759 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.747 -2.987 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.606 -4.390 1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.627 -5.828 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.005 -4.469 -0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.178 -5.479 0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.496 -3.890 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.143 -5.606 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.716 -4.842 3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.712 -6.790 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.842 -7.131 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.193 -7.541 2.966 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.588 -5.702 -0.104 1.00 0.00 N ATOM 1242 CA ASN A 85 -8.099 -6.919 -0.762 1.00 0.00 C ATOM 1243 C ASN A 85 -7.004 -7.641 -1.550 1.00 0.00 C ATOM 1244 O ASN A 85 -7.256 -8.212 -2.611 1.00 0.00 O ATOM 1245 CB ASN A 85 -9.279 -6.591 -1.680 1.00 0.00 C ATOM 1246 CG ASN A 85 -10.152 -7.806 -1.942 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -10.424 -8.591 -1.034 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -10.589 -7.973 -3.183 1.00 0.00 N ATOM 0 H ASN A 85 -7.851 -5.632 0.879 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.442 -7.588 0.027 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.881 -5.803 -1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.904 -6.203 -2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.174 -8.776 -3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.340 -7.298 -3.906 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.797 -7.619 -1.015 1.00 0.00 N ATOM 1256 CA LYS A 86 -4.656 -8.250 -1.660 1.00 0.00 C ATOM 1257 C LYS A 86 -3.811 -8.956 -0.616 1.00 0.00 C ATOM 1258 O LYS A 86 -4.042 -8.797 0.579 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.810 -7.201 -2.395 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.817 -7.345 -3.910 1.00 0.00 C ATOM 1261 CD LYS A 86 -5.100 -6.807 -4.521 1.00 0.00 C ATOM 1262 CE LYS A 86 -5.472 -7.560 -5.790 1.00 0.00 C ATOM 1263 NZ LYS A 86 -4.369 -7.550 -6.790 1.00 0.00 N ATOM 0 H LYS A 86 -5.579 -7.167 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.017 -8.977 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.175 -6.208 -2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.782 -7.266 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.963 -6.813 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.700 -8.396 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.911 -6.889 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.980 -5.748 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.724 -8.590 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.363 -7.112 -6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.727 -7.890 -7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.007 -6.581 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.601 -8.172 -6.466 1.00 0.00 H new ATOM 1277 N THR A 87 -2.836 -9.732 -1.055 1.00 0.00 N ATOM 1278 CA THR A 87 -1.971 -10.427 -0.122 1.00 0.00 C ATOM 1279 C THR A 87 -0.522 -10.022 -0.343 1.00 0.00 C ATOM 1280 O THR A 87 -0.153 -9.566 -1.430 1.00 0.00 O ATOM 1281 CB THR A 87 -2.102 -11.958 -0.233 1.00 0.00 C ATOM 1282 OG1 THR A 87 -1.653 -12.403 -1.520 1.00 0.00 O ATOM 1283 CG2 THR A 87 -3.544 -12.393 -0.024 1.00 0.00 C ATOM 0 H THR A 87 -2.626 -9.895 -2.040 1.00 0.00 H new ATOM 0 HA THR A 87 -2.287 -10.138 0.880 1.00 0.00 H new ATOM 0 HB THR A 87 -1.482 -12.406 0.543 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.740 -13.377 -1.578 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.612 -13.478 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.878 -12.083 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.177 -11.931 -0.781 1.00 0.00 H new ATOM 1291 N ILE A 88 0.293 -10.197 0.689 1.00 0.00 N ATOM 1292 CA ILE A 88 1.703 -9.835 0.633 1.00 0.00 C ATOM 1293 C ILE A 88 2.437 -10.616 -0.462 1.00 0.00 C ATOM 1294 O ILE A 88 3.274 -10.057 -1.171 1.00 0.00 O ATOM 1295 CB ILE A 88 2.367 -10.026 2.026 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.341 -8.698 2.796 1.00 0.00 C ATOM 1297 CG2 ILE A 88 3.790 -10.558 1.916 1.00 0.00 C ATOM 1298 CD1 ILE A 88 0.986 -8.351 3.369 1.00 0.00 C ATOM 0 H ILE A 88 -0.002 -10.591 1.582 1.00 0.00 H new ATOM 0 HA ILE A 88 1.777 -8.780 0.370 1.00 0.00 H new ATOM 0 HB ILE A 88 1.793 -10.774 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.067 -8.745 3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.659 -7.896 2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.213 -10.675 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.779 -11.524 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.398 -9.856 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.047 -7.400 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.259 -8.270 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.673 -9.132 4.062 1.00 0.00 H new ATOM 1310 N GLY A 89 2.105 -11.898 -0.610 1.00 0.00 N ATOM 1311 CA GLY A 89 2.732 -12.721 -1.633 1.00 0.00 C ATOM 1312 C GLY A 89 2.443 -12.232 -3.044 1.00 0.00 C ATOM 1313 O GLY A 89 3.318 -12.261 -3.912 1.00 0.00 O ATOM 0 H GLY A 89 1.412 -12.382 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.810 -12.734 -1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.382 -13.748 -1.531 1.00 0.00 H new ATOM 1317 N ASP A 90 1.205 -11.790 -3.273 1.00 0.00 N ATOM 1318 CA ASP A 90 0.778 -11.296 -4.585 1.00 0.00 C ATOM 1319 C ASP A 90 1.553 -10.045 -5.008 1.00 0.00 C ATOM 1320 O ASP A 90 2.010 -9.947 -6.146 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.722 -10.991 -4.567 1.00 0.00 C ATOM 1322 CG ASP A 90 -1.248 -10.576 -5.926 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -1.202 -11.405 -6.858 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -1.718 -9.425 -6.056 1.00 0.00 O ATOM 0 H ASP A 90 0.475 -11.764 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 90 0.988 -12.080 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.264 -11.873 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.919 -10.197 -3.847 1.00 0.00 H new ATOM 1329 N LEU A 91 1.700 -9.095 -4.086 1.00 0.00 N ATOM 1330 CA LEU A 91 2.415 -7.851 -4.378 1.00 0.00 C ATOM 1331 C LEU A 91 3.927 -8.054 -4.364 1.00 0.00 C ATOM 1332 O LEU A 91 4.659 -7.313 -5.014 1.00 0.00 O ATOM 1333 CB LEU A 91 2.034 -6.750 -3.381 1.00 0.00 C ATOM 1334 CG LEU A 91 1.259 -5.553 -3.954 1.00 0.00 C ATOM 1335 CD1 LEU A 91 1.868 -5.088 -5.271 1.00 0.00 C ATOM 1336 CD2 LEU A 91 -0.209 -5.908 -4.144 1.00 0.00 C ATOM 0 H LEU A 91 1.336 -9.161 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 91 2.118 -7.542 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.435 -7.198 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.947 -6.377 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 91 1.329 -4.733 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.301 -4.240 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.903 -4.788 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.837 -5.903 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.742 -5.048 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.294 -6.747 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.644 -6.183 -3.183 1.00 0.00 H new ATOM 1348 N LEU A 92 4.387 -9.072 -3.639 1.00 0.00 N ATOM 1349 CA LEU A 92 5.819 -9.361 -3.530 1.00 0.00 C ATOM 1350 C LEU A 92 6.434 -9.627 -4.902 1.00 0.00 C ATOM 1351 O LEU A 92 7.532 -9.153 -5.197 1.00 0.00 O ATOM 1352 CB LEU A 92 6.049 -10.566 -2.610 1.00 0.00 C ATOM 1353 CG LEU A 92 7.512 -10.974 -2.413 1.00 0.00 C ATOM 1354 CD1 LEU A 92 8.310 -9.845 -1.777 1.00 0.00 C ATOM 1355 CD2 LEU A 92 7.601 -12.234 -1.564 1.00 0.00 C ATOM 0 H LEU A 92 3.789 -9.713 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 92 6.307 -8.485 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.617 -10.344 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.503 -11.419 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 92 7.943 -11.183 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.346 -10.159 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.275 -8.967 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.881 -9.599 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.647 -12.511 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.150 -12.049 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.070 -13.046 -2.061 1.00 0.00 H new ATOM 1367 N GLN A 93 5.718 -10.373 -5.734 1.00 0.00 N ATOM 1368 CA GLN A 93 6.190 -10.697 -7.079 1.00 0.00 C ATOM 1369 C GLN A 93 6.363 -9.422 -7.907 1.00 0.00 C ATOM 1370 O GLN A 93 7.336 -9.272 -8.649 1.00 0.00 O ATOM 1371 CB GLN A 93 5.189 -11.631 -7.755 1.00 0.00 C ATOM 1372 CG GLN A 93 5.137 -13.015 -7.128 1.00 0.00 C ATOM 1373 CD GLN A 93 3.983 -13.848 -7.649 1.00 0.00 C ATOM 1374 OE1 GLN A 93 4.065 -14.447 -8.720 1.00 0.00 O ATOM 1375 NE2 GLN A 93 2.892 -13.877 -6.893 1.00 0.00 N ATOM 0 H GLN A 93 4.806 -10.767 -5.503 1.00 0.00 H new ATOM 0 HA GLN A 93 7.158 -11.193 -7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.197 -11.182 -7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.448 -11.727 -8.809 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.074 -13.535 -7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.050 -12.917 -6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.869 -13.365 -6.011 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.077 -14.412 -7.194 1.00 0.00 H new ATOM 1384 N VAL A 94 5.402 -8.511 -7.774 1.00 0.00 N ATOM 1385 CA VAL A 94 5.434 -7.232 -8.482 1.00 0.00 C ATOM 1386 C VAL A 94 6.569 -6.351 -7.945 1.00 0.00 C ATOM 1387 O VAL A 94 7.289 -5.705 -8.711 1.00 0.00 O ATOM 1388 CB VAL A 94 4.087 -6.489 -8.341 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.169 -5.087 -8.928 1.00 0.00 C ATOM 1390 CG2 VAL A 94 2.968 -7.284 -9.002 1.00 0.00 C ATOM 0 H VAL A 94 4.584 -8.636 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 94 5.610 -7.438 -9.538 1.00 0.00 H new ATOM 0 HB VAL A 94 3.864 -6.394 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.207 -4.588 -8.814 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.937 -4.518 -8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.422 -5.150 -9.986 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.026 -6.746 -8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.191 -7.415 -10.061 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.885 -8.261 -8.525 1.00 0.00 H new ATOM 1400 N LEU A 95 6.718 -6.348 -6.620 1.00 0.00 N ATOM 1401 CA LEU A 95 7.750 -5.557 -5.944 1.00 0.00 C ATOM 1402 C LEU A 95 9.146 -5.972 -6.403 1.00 0.00 C ATOM 1403 O LEU A 95 10.024 -5.125 -6.592 1.00 0.00 O ATOM 1404 CB LEU A 95 7.637 -5.739 -4.423 1.00 0.00 C ATOM 1405 CG LEU A 95 6.742 -4.731 -3.681 1.00 0.00 C ATOM 1406 CD1 LEU A 95 5.463 -4.449 -4.450 1.00 0.00 C ATOM 1407 CD2 LEU A 95 6.409 -5.255 -2.293 1.00 0.00 C ATOM 0 H LEU A 95 6.131 -6.890 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 95 7.596 -4.509 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.259 -6.742 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.639 -5.686 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 95 7.293 -3.795 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.856 -3.733 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.710 -4.035 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.904 -5.376 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.775 -4.535 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.883 -6.206 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.330 -5.400 -1.728 1.00 0.00 H new ATOM 1419 N GLN A 96 9.340 -7.278 -6.569 1.00 0.00 N ATOM 1420 CA GLN A 96 10.619 -7.823 -7.014 1.00 0.00 C ATOM 1421 C GLN A 96 10.963 -7.360 -8.429 1.00 0.00 C ATOM 1422 O GLN A 96 12.122 -7.075 -8.726 1.00 0.00 O ATOM 1423 CB GLN A 96 10.595 -9.354 -6.961 1.00 0.00 C ATOM 1424 CG GLN A 96 10.584 -9.918 -5.550 1.00 0.00 C ATOM 1425 CD GLN A 96 10.348 -11.416 -5.522 1.00 0.00 C ATOM 1426 OE1 GLN A 96 9.678 -11.967 -6.393 1.00 0.00 O ATOM 1427 NE2 GLN A 96 10.902 -12.084 -4.521 1.00 0.00 N ATOM 0 H GLN A 96 8.622 -7.982 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 96 11.388 -7.450 -6.337 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.714 -9.713 -7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.466 -9.740 -7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.535 -9.695 -5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.807 -9.421 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.451 -11.588 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.780 -13.094 -4.453 1.00 0.00 H new ATOM 1436 N GLU A 97 9.952 -7.300 -9.300 1.00 0.00 N ATOM 1437 CA GLU A 97 10.160 -6.881 -10.688 1.00 0.00 C ATOM 1438 C GLU A 97 10.664 -5.441 -10.768 1.00 0.00 C ATOM 1439 O GLU A 97 11.591 -5.144 -11.521 1.00 0.00 O ATOM 1440 CB GLU A 97 8.853 -7.002 -11.479 1.00 0.00 C ATOM 1441 CG GLU A 97 8.402 -8.435 -11.704 1.00 0.00 C ATOM 1442 CD GLU A 97 7.115 -8.531 -12.499 1.00 0.00 C ATOM 1443 OE1 GLU A 97 6.506 -7.476 -12.779 1.00 0.00 O ATOM 1444 OE2 GLU A 97 6.715 -9.662 -12.843 1.00 0.00 O ATOM 0 H GLU A 97 8.986 -7.535 -9.070 1.00 0.00 H new ATOM 0 HA GLU A 97 10.916 -7.538 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.068 -6.463 -10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.978 -6.514 -12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.188 -8.980 -12.227 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.264 -8.923 -10.739 1.00 0.00 H new ATOM 1451 N MET A 98 10.041 -4.553 -10.000 1.00 0.00 N ATOM 1452 CA MET A 98 10.439 -3.148 -9.982 1.00 0.00 C ATOM 1453 C MET A 98 11.767 -2.958 -9.252 1.00 0.00 C ATOM 1454 O MET A 98 12.608 -2.161 -9.666 1.00 0.00 O ATOM 1455 CB MET A 98 9.351 -2.284 -9.341 1.00 0.00 C ATOM 1456 CG MET A 98 9.559 -0.793 -9.557 1.00 0.00 C ATOM 1457 SD MET A 98 9.441 -0.329 -11.296 1.00 0.00 S ATOM 1458 CE MET A 98 10.141 1.317 -11.261 1.00 0.00 C ATOM 0 H MET A 98 9.261 -4.779 -9.383 1.00 0.00 H new ATOM 0 HA MET A 98 10.572 -2.829 -11.016 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.382 -2.571 -9.749 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.319 -2.488 -8.271 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.816 -0.238 -8.984 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.538 -0.506 -9.172 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.713 1.488 -12.173 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.339 2.052 -11.192 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.798 1.415 -10.397 1.00 0.00 H new ATOM 1468 N GLY A 99 11.946 -3.696 -8.159 1.00 0.00 N ATOM 1469 CA GLY A 99 13.168 -3.583 -7.383 1.00 0.00 C ATOM 1470 C GLY A 99 12.999 -2.699 -6.159 1.00 0.00 C ATOM 1471 O GLY A 99 13.890 -1.922 -5.819 1.00 0.00 O ATOM 0 H GLY A 99 11.269 -4.368 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.488 -4.576 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 99 13.959 -3.178 -8.014 1.00 0.00 H new ATOM 1475 N HIS A 100 11.849 -2.817 -5.498 1.00 0.00 N ATOM 1476 CA HIS A 100 11.570 -2.017 -4.306 1.00 0.00 C ATOM 1477 C HIS A 100 12.249 -2.628 -3.078 1.00 0.00 C ATOM 1478 O HIS A 100 11.712 -3.532 -2.436 1.00 0.00 O ATOM 1479 CB HIS A 100 10.056 -1.907 -4.089 1.00 0.00 C ATOM 1480 CG HIS A 100 9.653 -0.830 -3.127 1.00 0.00 C ATOM 1481 ND1 HIS A 100 8.345 -0.541 -2.805 1.00 0.00 N ATOM 1482 CD2 HIS A 100 10.413 0.017 -2.386 1.00 0.00 C ATOM 1483 CE1 HIS A 100 8.353 0.447 -1.901 1.00 0.00 C ATOM 1484 NE2 HIS A 100 9.584 0.820 -1.613 1.00 0.00 N ATOM 0 H HIS A 100 11.099 -3.455 -5.765 1.00 0.00 H new ATOM 0 HA HIS A 100 11.974 -1.015 -4.454 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.575 -1.721 -5.049 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.681 -2.864 -3.725 1.00 0.00 H new ATOM 0 HD1 HIS A 100 7.517 -0.998 -3.187 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.492 0.060 -2.396 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.466 0.882 -1.465 1.00 0.00 H new ATOM 1491 N ARG A 101 13.438 -2.116 -2.773 1.00 0.00 N ATOM 1492 CA ARG A 101 14.239 -2.586 -1.642 1.00 0.00 C ATOM 1493 C ARG A 101 13.586 -2.322 -0.282 1.00 0.00 C ATOM 1494 O ARG A 101 13.606 -3.186 0.595 1.00 0.00 O ATOM 1495 CB ARG A 101 15.602 -1.901 -1.686 1.00 0.00 C ATOM 1496 CG ARG A 101 16.484 -2.374 -2.831 1.00 0.00 C ATOM 1497 CD ARG A 101 17.758 -1.549 -2.933 1.00 0.00 C ATOM 1498 NE ARG A 101 18.647 -2.038 -3.983 1.00 0.00 N ATOM 1499 CZ ARG A 101 18.506 -1.741 -5.275 1.00 0.00 C ATOM 1500 NH1 ARG A 101 19.362 -2.228 -6.163 1.00 0.00 N ATOM 1501 NH2 ARG A 101 17.510 -0.960 -5.678 1.00 0.00 N ATOM 0 H ARG A 101 13.876 -1.362 -3.303 1.00 0.00 H new ATOM 0 HA ARG A 101 14.331 -3.668 -1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.456 -0.824 -1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.119 -2.078 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.740 -3.423 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 101 15.931 -2.308 -3.768 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.501 -0.509 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.281 -1.571 -1.977 1.00 0.00 H new ATOM 0 HE ARG A 101 19.422 -2.643 -3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.127 -2.829 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 101 19.255 -2.002 -7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 101 16.849 -0.585 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 101 17.406 -0.736 -6.668 1.00 0.00 H new ATOM 1515 N ARG A 102 13.008 -1.134 -0.114 1.00 0.00 N ATOM 1516 CA ARG A 102 12.371 -0.760 1.151 1.00 0.00 C ATOM 1517 C ARG A 102 11.190 -1.667 1.477 1.00 0.00 C ATOM 1518 O ARG A 102 10.981 -2.043 2.634 1.00 0.00 O ATOM 1519 CB ARG A 102 11.906 0.698 1.119 1.00 0.00 C ATOM 1520 CG ARG A 102 11.434 1.210 2.474 1.00 0.00 C ATOM 1521 CD ARG A 102 12.594 1.711 3.322 1.00 0.00 C ATOM 1522 NE ARG A 102 13.290 0.623 4.006 1.00 0.00 N ATOM 1523 CZ ARG A 102 14.412 0.787 4.701 1.00 0.00 C ATOM 1524 NH1 ARG A 102 14.988 -0.254 5.288 1.00 0.00 N ATOM 1525 NH2 ARG A 102 14.958 1.991 4.809 1.00 0.00 N ATOM 0 H ARG A 102 12.967 -0.414 -0.835 1.00 0.00 H new ATOM 0 HA ARG A 102 13.121 -0.879 1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.725 1.325 0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.095 0.798 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 102 10.715 2.016 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.914 0.412 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.299 2.249 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.222 2.422 4.060 1.00 0.00 H new ATOM 0 HE ARG A 102 12.893 -0.315 3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.570 -1.181 5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 102 15.849 -0.127 5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.517 2.793 4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.819 2.115 5.342 1.00 0.00 H new ATOM 1539 N ALA A 103 10.425 -2.014 0.448 1.00 0.00 N ATOM 1540 CA ALA A 103 9.256 -2.871 0.613 1.00 0.00 C ATOM 1541 C ALA A 103 9.643 -4.230 1.172 1.00 0.00 C ATOM 1542 O ALA A 103 8.935 -4.783 2.002 1.00 0.00 O ATOM 1543 CB ALA A 103 8.533 -3.042 -0.710 1.00 0.00 C ATOM 0 H ALA A 103 10.594 -1.714 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 103 8.587 -2.387 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.663 -3.684 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.209 -2.068 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.206 -3.497 -1.436 1.00 0.00 H new ATOM 1549 N ILE A 104 10.778 -4.752 0.715 1.00 0.00 N ATOM 1550 CA ILE A 104 11.266 -6.053 1.166 1.00 0.00 C ATOM 1551 C ILE A 104 11.525 -6.050 2.678 1.00 0.00 C ATOM 1552 O ILE A 104 11.164 -6.997 3.381 1.00 0.00 O ATOM 1553 CB ILE A 104 12.561 -6.448 0.415 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.251 -6.715 -1.062 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.210 -7.677 1.044 1.00 0.00 C ATOM 1556 CD1 ILE A 104 13.485 -6.840 -1.930 1.00 0.00 C ATOM 0 H ILE A 104 11.379 -4.293 0.031 1.00 0.00 H new ATOM 0 HA ILE A 104 10.492 -6.788 0.945 1.00 0.00 H new ATOM 0 HB ILE A 104 13.263 -5.618 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.667 -7.632 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 104 11.628 -5.907 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.117 -7.930 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.462 -7.464 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.515 -8.516 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.187 -7.028 -2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.059 -5.915 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.099 -7.667 -1.573 1.00 0.00 H new ATOM 1568 N HIS A 105 12.139 -4.979 3.172 1.00 0.00 N ATOM 1569 CA HIS A 105 12.447 -4.859 4.596 1.00 0.00 C ATOM 1570 C HIS A 105 11.182 -4.838 5.457 1.00 0.00 C ATOM 1571 O HIS A 105 11.133 -5.478 6.509 1.00 0.00 O ATOM 1572 CB HIS A 105 13.264 -3.591 4.858 1.00 0.00 C ATOM 1573 CG HIS A 105 14.688 -3.683 4.399 1.00 0.00 C ATOM 1574 ND1 HIS A 105 15.686 -4.306 5.116 1.00 0.00 N ATOM 1575 CD2 HIS A 105 15.276 -3.212 3.271 1.00 0.00 C ATOM 1576 CE1 HIS A 105 16.824 -4.196 4.416 1.00 0.00 C ATOM 1577 NE2 HIS A 105 16.628 -3.542 3.288 1.00 0.00 N ATOM 0 H HIS A 105 12.434 -4.181 2.609 1.00 0.00 H new ATOM 0 HA HIS A 105 13.029 -5.738 4.874 1.00 0.00 H new ATOM 0 HB2 HIS A 105 12.784 -2.751 4.356 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.250 -3.375 5.926 1.00 0.00 H new ATOM 0 HD2 HIS A 105 14.775 -2.667 2.485 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.777 -4.592 4.735 1.00 0.00 H new ATOM 0 HE2 HIS A 105 17.324 -3.323 2.575 1.00 0.00 H new ATOM 1584 N LEU A 106 10.156 -4.111 5.015 1.00 0.00 N ATOM 1585 CA LEU A 106 8.911 -4.023 5.779 1.00 0.00 C ATOM 1586 C LEU A 106 7.965 -5.197 5.506 1.00 0.00 C ATOM 1587 O LEU A 106 7.215 -5.604 6.393 1.00 0.00 O ATOM 1588 CB LEU A 106 8.202 -2.690 5.518 1.00 0.00 C ATOM 1589 CG LEU A 106 7.645 -1.994 6.767 1.00 0.00 C ATOM 1590 CD1 LEU A 106 6.339 -2.631 7.210 1.00 0.00 C ATOM 1591 CD2 LEU A 106 8.663 -2.022 7.899 1.00 0.00 C ATOM 0 H LEU A 106 10.160 -3.581 4.144 1.00 0.00 H new ATOM 0 HA LEU A 106 9.188 -4.076 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.902 -2.014 5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.382 -2.863 4.821 1.00 0.00 H new ATOM 0 HG LEU A 106 7.445 -0.954 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.967 -2.118 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.604 -2.550 6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.508 -3.682 7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.247 -1.523 8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.901 -3.056 8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.571 -1.507 7.585 1.00 0.00 H new ATOM 1603 N ILE A 107 8.001 -5.743 4.291 1.00 0.00 N ATOM 1604 CA ILE A 107 7.132 -6.868 3.931 1.00 0.00 C ATOM 1605 C ILE A 107 7.444 -8.088 4.806 1.00 0.00 C ATOM 1606 O ILE A 107 6.593 -8.957 5.018 1.00 0.00 O ATOM 1607 CB ILE A 107 7.252 -7.223 2.425 1.00 0.00 C ATOM 1608 CG1 ILE A 107 5.974 -7.900 1.933 1.00 0.00 C ATOM 1609 CG2 ILE A 107 8.456 -8.117 2.152 1.00 0.00 C ATOM 1610 CD1 ILE A 107 5.846 -7.927 0.425 1.00 0.00 C ATOM 0 H ILE A 107 8.618 -5.429 3.542 1.00 0.00 H new ATOM 0 HA ILE A 107 6.101 -6.564 4.113 1.00 0.00 H new ATOM 0 HB ILE A 107 7.396 -6.291 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.946 -8.922 2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.113 -7.381 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.507 -8.344 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.367 -7.603 2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.356 -9.044 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.915 -8.422 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.842 -6.907 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.688 -8.472 -0.002 1.00 0.00 H new ATOM 1622 N THR A 108 8.671 -8.124 5.317 1.00 0.00 N ATOM 1623 CA THR A 108 9.139 -9.194 6.191 1.00 0.00 C ATOM 1624 C THR A 108 8.362 -9.205 7.515 1.00 0.00 C ATOM 1625 O THR A 108 8.220 -10.247 8.157 1.00 0.00 O ATOM 1626 CB THR A 108 10.654 -9.051 6.470 1.00 0.00 C ATOM 1627 OG1 THR A 108 11.379 -9.078 5.233 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.167 -10.169 7.369 1.00 0.00 C ATOM 0 H THR A 108 9.373 -7.407 5.135 1.00 0.00 H new ATOM 0 HA THR A 108 8.963 -10.140 5.679 1.00 0.00 H new ATOM 0 HB THR A 108 10.808 -8.100 6.980 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.176 -8.270 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.235 -10.035 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.638 -10.142 8.322 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.996 -11.131 6.887 1.00 0.00 H new ATOM 1636 N ASN A 109 7.837 -8.038 7.905 1.00 0.00 N ATOM 1637 CA ASN A 109 7.101 -7.900 9.166 1.00 0.00 C ATOM 1638 C ASN A 109 5.770 -8.660 9.143 1.00 0.00 C ATOM 1639 O ASN A 109 5.207 -8.948 10.200 1.00 0.00 O ATOM 1640 CB ASN A 109 6.851 -6.420 9.471 1.00 0.00 C ATOM 1641 CG ASN A 109 6.553 -6.168 10.936 1.00 0.00 C ATOM 1642 OD1 ASN A 109 7.132 -6.803 11.817 1.00 0.00 O ATOM 1643 ND2 ASN A 109 5.650 -5.234 11.207 1.00 0.00 N ATOM 0 H ASN A 109 7.908 -7.176 7.365 1.00 0.00 H new ATOM 0 HA ASN A 109 7.717 -8.338 9.952 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.726 -5.840 9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.015 -6.065 8.868 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.413 -5.020 12.176 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.193 -4.731 10.447 1.00 0.00 H new ATOM 1650 N TYR A 110 5.257 -8.964 7.948 1.00 0.00 N ATOM 1651 CA TYR A 110 4.001 -9.713 7.823 1.00 0.00 C ATOM 1652 C TYR A 110 4.135 -11.084 8.492 1.00 0.00 C ATOM 1653 O TYR A 110 3.285 -11.479 9.294 1.00 0.00 O ATOM 1654 CB TYR A 110 3.607 -9.866 6.345 1.00 0.00 C ATOM 1655 CG TYR A 110 2.420 -10.784 6.102 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.112 -10.365 6.343 1.00 0.00 C ATOM 1657 CD2 TYR A 110 2.612 -12.078 5.634 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.042 -11.211 6.123 1.00 0.00 C ATOM 1659 CE2 TYR A 110 1.544 -12.927 5.413 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.263 -12.489 5.660 1.00 0.00 C ATOM 1661 OH TYR A 110 -0.803 -13.331 5.441 1.00 0.00 O ATOM 0 H TYR A 110 5.686 -8.706 7.059 1.00 0.00 H new ATOM 0 HA TYR A 110 3.212 -9.156 8.328 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.378 -8.881 5.939 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.465 -10.247 5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.933 -9.364 6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.615 -12.427 5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.965 -10.871 6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.714 -13.929 5.048 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.476 -14.195 5.114 1.00 0.00 H new