USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 562 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 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0513 X(o=-0.051,f=-0.51) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 135:sc= 1.37 USER MOD Single : A 66 GLN : amide:sc= -0.224 K(o=-0.22,f=-4.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 140:sc= -0.746! USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0991) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 98 ASN : amide:sc= -3.48! C(o=-3.5!,f=-2.4!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc=-0.00406 X(o=-0.0041,f=-0.18) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 111 SER OG : rot 170:sc= 0.0359 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.933 X(o=-0.93,f=-0.45) USER MOD Single : B 232 HIS : no HD1:sc=-0.00639 X(o=-0.0064,f=-0.18) USER MOD Single : B 233 LYS NZ :NH3+ -156:sc= -12.6! (180deg=-14.7!) USER MOD Single : B 234 ASN : amide:sc= -3.11! C(o=-3.1!,f=-3.7!) USER MOD Single : B 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -17.396 -5.558 -0.426 1.00 0.00 N ATOM 230 CA TYR A 59 -16.488 -4.786 -1.291 1.00 0.00 C ATOM 231 C TYR A 59 -15.427 -4.039 -0.459 1.00 0.00 C ATOM 232 O TYR A 59 -15.682 -3.668 0.685 1.00 0.00 O ATOM 233 CB TYR A 59 -17.287 -3.785 -2.134 1.00 0.00 C ATOM 234 CG TYR A 59 -17.792 -4.348 -3.446 1.00 0.00 C ATOM 235 CD1 TYR A 59 -16.925 -4.590 -4.505 1.00 0.00 C ATOM 236 CD2 TYR A 59 -19.138 -4.630 -3.626 1.00 0.00 C ATOM 237 CE1 TYR A 59 -17.390 -5.099 -5.704 1.00 0.00 C ATOM 238 CE2 TYR A 59 -19.609 -5.141 -4.820 1.00 0.00 C ATOM 239 CZ TYR A 59 -18.733 -5.371 -5.855 1.00 0.00 C ATOM 240 OH TYR A 59 -19.199 -5.875 -7.047 1.00 0.00 O ATOM 0 HA TYR A 59 -15.975 -5.486 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -18.138 -3.432 -1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -16.660 -2.918 -2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -15.872 -4.377 -4.390 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -19.831 -4.447 -2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -16.704 -5.282 -6.518 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -20.660 -5.359 -4.940 1.00 0.00 H new ATOM 0 HH TYR A 59 -20.168 -6.012 -6.988 1.00 0.00 H new ATOM 250 N CYS A 60 -14.238 -3.815 -1.042 1.00 0.00 N ATOM 251 CA CYS A 60 -13.151 -3.108 -0.341 1.00 0.00 C ATOM 252 C CYS A 60 -12.708 -1.850 -1.110 1.00 0.00 C ATOM 253 O CYS A 60 -12.600 -1.870 -2.338 1.00 0.00 O ATOM 254 CB CYS A 60 -11.944 -4.033 -0.142 1.00 0.00 C ATOM 255 SG CYS A 60 -12.308 -5.600 0.716 1.00 0.00 S ATOM 0 H CYS A 60 -14.005 -4.110 -1.990 1.00 0.00 H new ATOM 0 HA CYS A 60 -13.539 -2.803 0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.515 -4.261 -1.118 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -11.182 -3.495 0.423 1.00 0.00 H new ATOM 260 N ASN A 61 -12.447 -0.756 -0.384 1.00 0.00 N ATOM 261 CA ASN A 61 -12.019 0.505 -1.007 1.00 0.00 C ATOM 262 C ASN A 61 -10.500 0.749 -0.873 1.00 0.00 C ATOM 263 O ASN A 61 -9.775 -0.060 -0.274 1.00 0.00 O ATOM 264 CB ASN A 61 -12.800 1.674 -0.392 1.00 0.00 C ATOM 265 CG ASN A 61 -12.693 1.714 1.119 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.424 1.022 1.824 1.00 0.00 O ATOM 267 ND2 ASN A 61 -11.767 2.514 1.620 1.00 0.00 N ATOM 0 H ASN A 61 -12.524 -0.717 0.632 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.234 0.432 -2.073 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.428 2.612 -0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.849 1.595 -0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.637 2.574 2.630 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.182 3.071 0.997 1.00 0.00 H new ATOM 274 N THR A 62 -10.034 1.879 -1.440 1.00 0.00 N ATOM 275 CA THR A 62 -8.615 2.278 -1.400 1.00 0.00 C ATOM 276 C THR A 62 -8.057 2.194 0.018 1.00 0.00 C ATOM 277 O THR A 62 -8.767 2.479 0.986 1.00 0.00 O ATOM 278 CB THR A 62 -8.447 3.710 -1.930 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.347 4.595 -1.280 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.688 3.838 -3.419 1.00 0.00 C ATOM 0 H THR A 62 -10.631 2.540 -1.938 1.00 0.00 H new ATOM 0 HA THR A 62 -8.060 1.587 -2.034 1.00 0.00 H new ATOM 0 HB THR A 62 -7.409 3.968 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.224 5.502 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.552 4.876 -3.722 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.981 3.207 -3.958 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.705 3.523 -3.651 1.00 0.00 H new ATOM 288 N THR A 63 -6.791 1.789 0.134 1.00 0.00 N ATOM 289 CA THR A 63 -6.154 1.651 1.445 1.00 0.00 C ATOM 290 C THR A 63 -4.648 1.950 1.395 1.00 0.00 C ATOM 291 O THR A 63 -3.979 1.662 0.396 1.00 0.00 O ATOM 292 CB THR A 63 -6.424 0.237 1.977 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.469 0.264 2.924 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.241 -0.419 2.633 1.00 0.00 C ATOM 0 H THR A 63 -6.191 1.553 -0.656 1.00 0.00 H new ATOM 0 HA THR A 63 -6.585 2.388 2.123 1.00 0.00 H new ATOM 0 HB THR A 63 -6.682 -0.348 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.089 -0.474 2.748 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.522 -1.414 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.426 -0.502 1.914 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.916 0.182 3.482 1.00 0.00 H new ATOM 302 N LEU A 64 -4.123 2.518 2.489 1.00 0.00 N ATOM 303 CA LEU A 64 -2.695 2.855 2.595 1.00 0.00 C ATOM 304 C LEU A 64 -1.951 1.843 3.488 1.00 0.00 C ATOM 305 O LEU A 64 -2.563 0.928 4.038 1.00 0.00 O ATOM 306 CB LEU A 64 -2.537 4.284 3.146 1.00 0.00 C ATOM 307 CG LEU A 64 -1.591 5.204 2.358 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.318 6.449 1.872 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.395 5.610 3.205 1.00 0.00 C ATOM 0 H LEU A 64 -4.668 2.755 3.318 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.252 2.806 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.521 4.751 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.178 4.219 4.173 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.237 4.643 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.625 7.082 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.143 6.158 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.708 7.000 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.258 6.261 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.741 6.141 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.156 4.719 3.508 1.00 0.00 H new ATOM 321 N ASP A 65 -0.630 2.009 3.621 1.00 0.00 N ATOM 322 CA ASP A 65 0.192 1.104 4.441 1.00 0.00 C ATOM 323 C ASP A 65 1.415 1.835 5.026 1.00 0.00 C ATOM 324 O ASP A 65 1.971 2.722 4.377 1.00 0.00 O ATOM 325 CB ASP A 65 0.661 -0.084 3.580 1.00 0.00 C ATOM 326 CG ASP A 65 -0.037 -1.391 3.902 1.00 0.00 C ATOM 327 OD1 ASP A 65 -0.435 -1.589 5.067 1.00 0.00 O ATOM 328 OD2 ASP A 65 -0.164 -2.227 2.983 1.00 0.00 O ATOM 0 H ASP A 65 -0.105 2.760 3.173 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.417 0.745 5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.497 0.155 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.735 -0.215 3.713 1.00 0.00 H new ATOM 333 N GLN A 66 1.848 1.455 6.241 1.00 0.00 N ATOM 334 CA GLN A 66 3.021 2.087 6.875 1.00 0.00 C ATOM 335 C GLN A 66 4.230 2.088 5.924 1.00 0.00 C ATOM 336 O GLN A 66 5.021 3.032 5.907 1.00 0.00 O ATOM 337 CB GLN A 66 3.370 1.375 8.192 1.00 0.00 C ATOM 338 CG GLN A 66 3.908 2.310 9.275 1.00 0.00 C ATOM 339 CD GLN A 66 2.965 2.472 10.459 1.00 0.00 C ATOM 340 OE1 GLN A 66 3.187 1.909 11.526 1.00 0.00 O ATOM 341 NE2 GLN A 66 1.910 3.252 10.281 1.00 0.00 N ATOM 0 H GLN A 66 1.410 0.722 6.799 1.00 0.00 H new ATOM 0 HA GLN A 66 2.767 3.123 7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.480 0.872 8.569 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.112 0.602 7.991 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.864 1.928 9.632 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.100 3.289 8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.757 3.705 9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.251 3.400 11.045 1.00 0.00 H new ATOM 350 N ILE A 67 4.342 1.026 5.123 1.00 0.00 N ATOM 351 CA ILE A 67 5.421 0.874 4.138 1.00 0.00 C ATOM 352 C ILE A 67 5.254 1.851 2.954 1.00 0.00 C ATOM 353 O ILE A 67 6.184 2.048 2.166 1.00 0.00 O ATOM 354 CB ILE A 67 5.447 -0.586 3.596 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.521 -1.421 4.293 1.00 0.00 C ATOM 356 CG2 ILE A 67 5.673 -0.618 2.094 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.520 -2.867 3.856 1.00 0.00 C ATOM 0 H ILE A 67 3.687 0.244 5.137 1.00 0.00 H new ATOM 0 HA ILE A 67 6.360 1.103 4.643 1.00 0.00 H new ATOM 0 HB ILE A 67 4.470 -1.019 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.500 -0.986 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.368 -1.373 5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.685 -1.652 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.869 -0.079 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.627 -0.146 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.304 -3.408 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.553 -3.315 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.702 -2.923 2.783 1.00 0.00 H new ATOM 369 N GLY A 68 4.061 2.440 2.821 1.00 0.00 N ATOM 370 CA GLY A 68 3.787 3.357 1.719 1.00 0.00 C ATOM 371 C GLY A 68 3.091 2.667 0.554 1.00 0.00 C ATOM 372 O GLY A 68 3.153 3.139 -0.582 1.00 0.00 O ATOM 0 H GLY A 68 3.278 2.297 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.165 4.177 2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.723 3.795 1.372 1.00 0.00 H new ATOM 376 N THR A 69 2.431 1.540 0.838 1.00 0.00 N ATOM 377 CA THR A 69 1.728 0.776 -0.193 1.00 0.00 C ATOM 378 C THR A 69 0.280 1.236 -0.337 1.00 0.00 C ATOM 379 O THR A 69 -0.548 1.006 0.546 1.00 0.00 O ATOM 380 CB THR A 69 1.758 -0.725 0.130 1.00 0.00 C ATOM 381 OG1 THR A 69 3.086 -1.172 0.348 1.00 0.00 O ATOM 382 CG2 THR A 69 1.157 -1.587 -0.963 1.00 0.00 C ATOM 0 H THR A 69 2.370 1.138 1.773 1.00 0.00 H new ATOM 0 HA THR A 69 2.244 0.953 -1.137 1.00 0.00 H new ATOM 0 HB THR A 69 1.155 -0.834 1.031 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.079 -2.130 0.554 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.210 -2.636 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.115 -1.306 -1.117 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.713 -1.440 -1.889 1.00 0.00 H new ATOM 390 N CYS A 70 -0.025 1.870 -1.464 1.00 0.00 N ATOM 391 CA CYS A 70 -1.383 2.337 -1.730 1.00 0.00 C ATOM 392 C CYS A 70 -2.167 1.257 -2.466 1.00 0.00 C ATOM 393 O CYS A 70 -1.942 1.015 -3.655 1.00 0.00 O ATOM 394 CB CYS A 70 -1.363 3.631 -2.546 1.00 0.00 C ATOM 395 SG CYS A 70 -2.082 5.060 -1.676 1.00 0.00 S ATOM 0 H CYS A 70 0.645 2.072 -2.206 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.872 2.545 -0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.333 3.863 -2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.909 3.472 -3.476 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.020 6.110 -2.441 1.00 0.00 H new ATOM 400 N TRP A 71 -3.082 0.609 -1.748 1.00 0.00 N ATOM 401 CA TRP A 71 -3.905 -0.454 -2.320 1.00 0.00 C ATOM 402 C TRP A 71 -5.145 0.147 -3.003 1.00 0.00 C ATOM 403 O TRP A 71 -6.031 0.695 -2.339 1.00 0.00 O ATOM 404 CB TRP A 71 -4.288 -1.462 -1.226 1.00 0.00 C ATOM 405 CG TRP A 71 -3.095 -2.081 -0.537 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.430 -1.595 0.556 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.423 -3.298 -0.895 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.398 -2.430 0.891 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.370 -3.479 0.020 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.608 -4.253 -1.896 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.506 -4.571 -0.036 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.751 -5.336 -1.951 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.712 -5.488 -1.025 1.00 0.00 C ATOM 0 H TRP A 71 -3.272 0.803 -0.765 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.337 -0.988 -3.082 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.909 -0.962 -0.483 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.894 -2.253 -1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.683 -0.684 1.079 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.753 -2.290 1.668 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.407 -4.148 -2.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.297 -4.687 0.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.885 -6.079 -2.723 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.061 -6.347 -1.095 1.00 0.00 H new ATOM 424 N PRO A 72 -5.195 0.086 -4.354 1.00 0.00 N ATOM 425 CA PRO A 72 -6.295 0.663 -5.150 1.00 0.00 C ATOM 426 C PRO A 72 -7.583 -0.174 -5.174 1.00 0.00 C ATOM 427 O PRO A 72 -7.927 -0.771 -6.198 1.00 0.00 O ATOM 428 CB PRO A 72 -5.680 0.758 -6.550 1.00 0.00 C ATOM 429 CG PRO A 72 -4.700 -0.362 -6.608 1.00 0.00 C ATOM 430 CD PRO A 72 -4.152 -0.515 -5.215 1.00 0.00 C ATOM 0 HA PRO A 72 -6.630 1.610 -4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.441 0.659 -7.324 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.192 1.720 -6.704 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.180 -1.282 -6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.902 -0.144 -7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.982 -1.562 -4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.197 -0.002 -5.103 1.00 0.00 H new ATOM 438 N GLN A 73 -8.306 -0.177 -4.054 1.00 0.00 N ATOM 439 CA GLN A 73 -9.581 -0.902 -3.935 1.00 0.00 C ATOM 440 C GLN A 73 -9.372 -2.414 -3.814 1.00 0.00 C ATOM 441 O GLN A 73 -8.244 -2.908 -3.890 1.00 0.00 O ATOM 442 CB GLN A 73 -10.501 -0.587 -5.124 1.00 0.00 C ATOM 443 CG GLN A 73 -11.760 0.175 -4.731 1.00 0.00 C ATOM 444 CD GLN A 73 -12.841 0.112 -5.789 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.039 1.056 -6.546 1.00 0.00 O ATOM 446 NE2 GLN A 73 -13.549 -1.005 -5.845 1.00 0.00 N ATOM 0 H GLN A 73 -8.031 0.318 -3.206 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.059 -0.559 -3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.946 -0.003 -5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.787 -1.520 -5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.148 -0.232 -3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.504 1.217 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.352 -1.767 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.292 -1.104 -6.537 1.00 0.00 H new ATOM 455 N SER A 74 -10.476 -3.141 -3.608 1.00 0.00 N ATOM 456 CA SER A 74 -10.430 -4.598 -3.459 1.00 0.00 C ATOM 457 C SER A 74 -11.837 -5.170 -3.187 1.00 0.00 C ATOM 458 O SER A 74 -12.847 -4.503 -3.422 1.00 0.00 O ATOM 459 CB SER A 74 -9.450 -4.967 -2.330 1.00 0.00 C ATOM 460 OG SER A 74 -9.568 -6.328 -1.948 1.00 0.00 O ATOM 0 H SER A 74 -11.413 -2.743 -3.541 1.00 0.00 H new ATOM 0 HA SER A 74 -10.076 -5.041 -4.390 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.429 -4.769 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.637 -4.330 -1.465 1.00 0.00 H new ATOM 0 HG SER A 74 -8.677 -6.700 -1.782 1.00 0.00 H new ATOM 466 N ALA A 75 -11.890 -6.399 -2.679 1.00 0.00 N ATOM 467 CA ALA A 75 -13.152 -7.069 -2.356 1.00 0.00 C ATOM 468 C ALA A 75 -12.899 -8.293 -1.470 1.00 0.00 C ATOM 469 O ALA A 75 -11.781 -8.816 -1.430 1.00 0.00 O ATOM 470 CB ALA A 75 -13.880 -7.472 -3.638 1.00 0.00 C ATOM 0 H ALA A 75 -11.062 -6.960 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.784 -6.374 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.816 -7.969 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.091 -6.583 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -13.253 -8.152 -4.214 1.00 0.00 H new ATOM 476 N PRO A 76 -13.927 -8.765 -0.741 1.00 0.00 N ATOM 477 CA PRO A 76 -13.802 -9.931 0.144 1.00 0.00 C ATOM 478 C PRO A 76 -13.364 -11.188 -0.597 1.00 0.00 C ATOM 479 O PRO A 76 -13.822 -11.462 -1.709 1.00 0.00 O ATOM 480 CB PRO A 76 -15.211 -10.119 0.713 1.00 0.00 C ATOM 481 CG PRO A 76 -16.106 -9.344 -0.190 1.00 0.00 C ATOM 482 CD PRO A 76 -15.285 -8.206 -0.720 1.00 0.00 C ATOM 0 HA PRO A 76 -13.040 -9.767 0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.490 -11.173 0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.273 -9.753 1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.474 -9.970 -1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.979 -8.976 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.612 -7.900 -1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.351 -7.327 -0.079 1.00 0.00 H new ATOM 490 N GLY A 77 -12.469 -11.947 0.029 1.00 0.00 N ATOM 491 CA GLY A 77 -11.967 -13.173 -0.579 1.00 0.00 C ATOM 492 C GLY A 77 -11.183 -12.928 -1.863 1.00 0.00 C ATOM 493 O GLY A 77 -11.049 -13.831 -2.687 1.00 0.00 O ATOM 0 H GLY A 77 -12.080 -11.737 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.328 -13.691 0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.806 -13.835 -0.794 1.00 0.00 H new ATOM 497 N ALA A 78 -10.671 -11.706 -2.037 1.00 0.00 N ATOM 498 CA ALA A 78 -9.906 -11.355 -3.232 1.00 0.00 C ATOM 499 C ALA A 78 -8.419 -11.209 -2.919 1.00 0.00 C ATOM 500 O ALA A 78 -8.003 -10.283 -2.212 1.00 0.00 O ATOM 501 CB ALA A 78 -10.443 -10.069 -3.848 1.00 0.00 C ATOM 0 H ALA A 78 -10.774 -10.946 -1.365 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.020 -12.167 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.863 -9.821 -4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.488 -10.207 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.363 -9.258 -3.124 1.00 0.00 H new ATOM 507 N LEU A 79 -7.620 -12.124 -3.459 1.00 0.00 N ATOM 508 CA LEU A 79 -6.177 -12.104 -3.256 1.00 0.00 C ATOM 509 C LEU A 79 -5.549 -10.950 -4.036 1.00 0.00 C ATOM 510 O LEU A 79 -5.296 -11.060 -5.235 1.00 0.00 O ATOM 511 CB LEU A 79 -5.573 -13.450 -3.690 1.00 0.00 C ATOM 512 CG LEU A 79 -4.340 -13.916 -2.910 1.00 0.00 C ATOM 513 CD1 LEU A 79 -3.158 -13.005 -3.181 1.00 0.00 C ATOM 514 CD2 LEU A 79 -4.641 -13.972 -1.421 1.00 0.00 C ATOM 0 H LEU A 79 -7.951 -12.892 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.965 -11.952 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.344 -14.216 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.307 -13.383 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.081 -14.920 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.293 -13.354 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.926 -13.017 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.405 -11.988 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.754 -14.305 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.927 -12.981 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.458 -14.671 -1.241 1.00 0.00 H new ATOM 526 N VAL A 80 -5.309 -9.836 -3.352 1.00 0.00 N ATOM 527 CA VAL A 80 -4.716 -8.669 -3.992 1.00 0.00 C ATOM 528 C VAL A 80 -3.195 -8.655 -3.789 1.00 0.00 C ATOM 529 O VAL A 80 -2.690 -8.213 -2.753 1.00 0.00 O ATOM 530 CB VAL A 80 -5.343 -7.364 -3.464 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.545 -6.160 -3.945 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.807 -7.272 -3.891 1.00 0.00 C ATOM 0 H VAL A 80 -5.515 -9.718 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.923 -8.733 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.311 -7.369 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.000 -5.246 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.520 -6.234 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.542 -6.137 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.239 -6.346 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.870 -7.283 -4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.358 -8.121 -3.487 1.00 0.00 H new ATOM 542 N GLU A 81 -2.476 -9.172 -4.786 1.00 0.00 N ATOM 543 CA GLU A 81 -1.014 -9.260 -4.740 1.00 0.00 C ATOM 544 C GLU A 81 -0.331 -7.989 -5.259 1.00 0.00 C ATOM 545 O GLU A 81 -0.768 -7.388 -6.241 1.00 0.00 O ATOM 546 CB GLU A 81 -0.537 -10.475 -5.549 1.00 0.00 C ATOM 547 CG GLU A 81 -0.904 -10.431 -7.028 1.00 0.00 C ATOM 548 CD GLU A 81 -1.672 -11.658 -7.479 1.00 0.00 C ATOM 549 OE1 GLU A 81 -2.789 -11.876 -6.969 1.00 0.00 O ATOM 550 OE2 GLU A 81 -1.155 -12.401 -8.338 1.00 0.00 O ATOM 0 H GLU A 81 -2.887 -9.540 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.732 -9.374 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.546 -10.554 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.960 -11.378 -5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.503 -9.541 -7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.006 -10.339 -7.621 1.00 0.00 H new ATOM 557 N ARG A 82 0.760 -7.602 -4.595 1.00 0.00 N ATOM 558 CA ARG A 82 1.537 -6.419 -4.979 1.00 0.00 C ATOM 559 C ARG A 82 3.010 -6.624 -4.619 1.00 0.00 C ATOM 560 O ARG A 82 3.321 -7.190 -3.569 1.00 0.00 O ATOM 561 CB ARG A 82 1.009 -5.159 -4.268 1.00 0.00 C ATOM 562 CG ARG A 82 -0.100 -4.422 -5.019 1.00 0.00 C ATOM 563 CD ARG A 82 0.451 -3.512 -6.114 1.00 0.00 C ATOM 564 NE ARG A 82 1.388 -2.500 -5.592 1.00 0.00 N ATOM 565 CZ ARG A 82 1.117 -1.199 -5.464 1.00 0.00 C ATOM 566 NH1 ARG A 82 -0.073 -0.713 -5.775 1.00 0.00 N ATOM 567 NH2 ARG A 82 2.050 -0.380 -5.022 1.00 0.00 N ATOM 0 H ARG A 82 1.129 -8.095 -3.782 1.00 0.00 H new ATOM 0 HA ARG A 82 1.436 -6.281 -6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.637 -5.442 -3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.840 -4.472 -4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.782 -5.148 -5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.681 -3.828 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.958 -4.119 -6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.377 -3.011 -6.616 1.00 0.00 H new ATOM 0 HE ARG A 82 2.314 -2.818 -5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.804 -1.335 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.260 0.284 -5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.973 -0.741 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.849 0.615 -4.922 1.00 0.00 H new ATOM 581 N PRO A 83 3.944 -6.177 -5.476 1.00 0.00 N ATOM 582 CA PRO A 83 5.382 -6.326 -5.209 1.00 0.00 C ATOM 583 C PRO A 83 5.813 -5.549 -3.960 1.00 0.00 C ATOM 584 O PRO A 83 5.558 -4.347 -3.850 1.00 0.00 O ATOM 585 CB PRO A 83 6.044 -5.747 -6.465 1.00 0.00 C ATOM 586 CG PRO A 83 5.008 -4.868 -7.082 1.00 0.00 C ATOM 587 CD PRO A 83 3.685 -5.499 -6.757 1.00 0.00 C ATOM 0 HA PRO A 83 5.661 -7.362 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.941 -5.181 -6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.348 -6.538 -7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.066 -3.856 -6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.151 -4.794 -8.160 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.895 -4.754 -6.666 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.373 -6.202 -7.529 1.00 0.00 H new ATOM 595 N CYS A 84 6.460 -6.237 -3.016 1.00 0.00 N ATOM 596 CA CYS A 84 6.913 -5.590 -1.784 1.00 0.00 C ATOM 597 C CYS A 84 8.153 -4.731 -2.042 1.00 0.00 C ATOM 598 O CYS A 84 9.023 -5.094 -2.833 1.00 0.00 O ATOM 599 CB CYS A 84 7.178 -6.619 -0.674 1.00 0.00 C ATOM 600 SG CYS A 84 8.314 -7.970 -1.123 1.00 0.00 S ATOM 0 H CYS A 84 6.680 -7.231 -3.080 1.00 0.00 H new ATOM 0 HA CYS A 84 6.112 -4.935 -1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.584 -6.098 0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.226 -7.053 -0.368 1.00 0.00 H new ATOM 605 N PRO A 85 8.235 -3.553 -1.396 1.00 0.00 N ATOM 606 CA PRO A 85 9.356 -2.612 -1.578 1.00 0.00 C ATOM 607 C PRO A 85 10.679 -3.097 -0.976 1.00 0.00 C ATOM 608 O PRO A 85 11.184 -2.529 -0.006 1.00 0.00 O ATOM 609 CB PRO A 85 8.869 -1.348 -0.869 1.00 0.00 C ATOM 610 CG PRO A 85 7.892 -1.829 0.143 1.00 0.00 C ATOM 611 CD PRO A 85 7.222 -3.029 -0.460 1.00 0.00 C ATOM 0 HA PRO A 85 9.588 -2.474 -2.634 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.696 -0.816 -0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.403 -0.656 -1.571 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.393 -2.090 1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 85 7.163 -1.054 0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.958 -3.765 0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.301 -2.758 -0.976 1.00 0.00 H new ATOM 619 N GLU A 86 11.249 -4.140 -1.571 1.00 0.00 N ATOM 620 CA GLU A 86 12.525 -4.694 -1.105 1.00 0.00 C ATOM 621 C GLU A 86 13.714 -3.823 -1.526 1.00 0.00 C ATOM 622 O GLU A 86 14.847 -4.054 -1.091 1.00 0.00 O ATOM 623 CB GLU A 86 12.717 -6.102 -1.665 1.00 0.00 C ATOM 624 CG GLU A 86 11.495 -6.992 -1.500 1.00 0.00 C ATOM 625 CD GLU A 86 11.216 -7.839 -2.724 1.00 0.00 C ATOM 626 OE1 GLU A 86 11.149 -7.271 -3.835 1.00 0.00 O ATOM 627 OE2 GLU A 86 11.071 -9.068 -2.573 1.00 0.00 O ATOM 0 H GLU A 86 10.851 -4.622 -2.377 1.00 0.00 H new ATOM 0 HA GLU A 86 12.489 -4.721 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.966 -6.033 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.567 -6.569 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.640 -7.644 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.625 -6.371 -1.288 1.00 0.00 H new ATOM 634 N TYR A 87 13.464 -2.840 -2.389 1.00 0.00 N ATOM 635 CA TYR A 87 14.523 -1.968 -2.881 1.00 0.00 C ATOM 636 C TYR A 87 14.185 -0.487 -2.682 1.00 0.00 C ATOM 637 O TYR A 87 14.018 0.262 -3.645 1.00 0.00 O ATOM 638 CB TYR A 87 14.795 -2.266 -4.363 1.00 0.00 C ATOM 639 CG TYR A 87 13.546 -2.447 -5.199 1.00 0.00 C ATOM 640 CD1 TYR A 87 12.803 -3.621 -5.135 1.00 0.00 C ATOM 641 CD2 TYR A 87 13.112 -1.446 -6.057 1.00 0.00 C ATOM 642 CE1 TYR A 87 11.668 -3.790 -5.900 1.00 0.00 C ATOM 643 CE2 TYR A 87 11.975 -1.605 -6.824 1.00 0.00 C ATOM 644 CZ TYR A 87 11.258 -2.780 -6.744 1.00 0.00 C ATOM 645 OH TYR A 87 10.129 -2.944 -7.508 1.00 0.00 O ATOM 0 H TYR A 87 12.538 -2.629 -2.760 1.00 0.00 H new ATOM 0 HA TYR A 87 15.423 -2.172 -2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.385 -1.452 -4.783 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.401 -3.169 -4.435 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.120 -4.414 -4.475 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.674 -0.526 -6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 87 11.103 -4.709 -5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 87 11.649 -0.814 -7.483 1.00 0.00 H new ATOM 0 HH TYR A 87 9.978 -2.139 -8.046 1.00 0.00 H new ATOM 655 N PHE A 88 14.121 -0.064 -1.418 1.00 0.00 N ATOM 656 CA PHE A 88 13.839 1.338 -1.086 1.00 0.00 C ATOM 657 C PHE A 88 15.058 2.237 -1.381 1.00 0.00 C ATOM 658 O PHE A 88 15.022 3.446 -1.147 1.00 0.00 O ATOM 659 CB PHE A 88 13.425 1.463 0.392 1.00 0.00 C ATOM 660 CG PHE A 88 11.934 1.464 0.618 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.115 2.357 -0.056 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.350 0.573 1.513 1.00 0.00 C ATOM 663 CE1 PHE A 88 9.749 2.364 0.155 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.985 0.579 1.727 1.00 0.00 C ATOM 665 CZ PHE A 88 9.184 1.474 1.047 1.00 0.00 C ATOM 0 H PHE A 88 14.260 -0.668 -0.608 1.00 0.00 H new ATOM 0 HA PHE A 88 13.014 1.675 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.866 0.638 0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.843 2.384 0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.550 3.056 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.971 -0.131 2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.124 3.065 -0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.545 -0.117 2.426 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.117 1.478 1.212 1.00 0.00 H new ATOM 675 N ASN A 89 16.129 1.629 -1.902 1.00 0.00 N ATOM 676 CA ASN A 89 17.359 2.348 -2.243 1.00 0.00 C ATOM 677 C ASN A 89 17.937 1.855 -3.579 1.00 0.00 C ATOM 678 O ASN A 89 18.322 2.656 -4.427 1.00 0.00 O ATOM 679 CB ASN A 89 18.395 2.171 -1.127 1.00 0.00 C ATOM 680 CG ASN A 89 18.970 3.487 -0.653 1.00 0.00 C ATOM 681 OD1 ASN A 89 18.691 3.931 0.456 1.00 0.00 O ATOM 682 ND2 ASN A 89 19.778 4.122 -1.487 1.00 0.00 N ATOM 0 H ASN A 89 16.167 0.629 -2.098 1.00 0.00 H new ATOM 0 HA ASN A 89 17.117 3.406 -2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.932 1.657 -0.285 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.203 1.533 -1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 89 20.193 5.013 -1.216 1.00 0.00 H new ATOM 0 HD22 ASN A 89 19.986 3.720 -2.401 1.00 0.00 H new ATOM 689 N GLY A 90 18.001 0.529 -3.747 1.00 0.00 N ATOM 690 CA GLY A 90 18.536 -0.064 -4.971 1.00 0.00 C ATOM 691 C GLY A 90 19.174 -1.419 -4.717 1.00 0.00 C ATOM 692 O GLY A 90 20.362 -1.608 -4.978 1.00 0.00 O ATOM 0 H GLY A 90 17.689 -0.149 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.734 -0.172 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.275 0.609 -5.406 1.00 0.00 H new ATOM 696 N ILE A 91 18.390 -2.355 -4.171 1.00 0.00 N ATOM 697 CA ILE A 91 18.898 -3.690 -3.838 1.00 0.00 C ATOM 698 C ILE A 91 18.163 -4.831 -4.568 1.00 0.00 C ATOM 699 O ILE A 91 18.347 -6.003 -4.233 1.00 0.00 O ATOM 700 CB ILE A 91 18.805 -3.940 -2.314 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.223 -2.691 -1.530 1.00 0.00 C ATOM 702 CG2 ILE A 91 19.665 -5.129 -1.913 1.00 0.00 C ATOM 703 CD1 ILE A 91 20.655 -2.267 -1.777 1.00 0.00 C ATOM 0 H ILE A 91 17.404 -2.213 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 91 19.936 -3.700 -4.172 1.00 0.00 H new ATOM 0 HB ILE A 91 17.767 -4.165 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.559 -1.868 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.088 -2.880 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.586 -5.289 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 91 19.322 -6.020 -2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.704 -4.931 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 91 20.878 -1.377 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 91 21.329 -3.073 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.791 -2.045 -2.835 1.00 0.00 H new ATOM 715 N LYS A 92 17.341 -4.510 -5.564 1.00 0.00 N ATOM 716 CA LYS A 92 16.621 -5.549 -6.305 1.00 0.00 C ATOM 717 C LYS A 92 17.018 -5.548 -7.777 1.00 0.00 C ATOM 718 O LYS A 92 16.964 -4.518 -8.451 1.00 0.00 O ATOM 719 CB LYS A 92 15.108 -5.383 -6.155 1.00 0.00 C ATOM 720 CG LYS A 92 14.302 -6.503 -6.797 1.00 0.00 C ATOM 721 CD LYS A 92 14.522 -7.831 -6.084 1.00 0.00 C ATOM 722 CE LYS A 92 13.756 -7.893 -4.775 1.00 0.00 C ATOM 723 NZ LYS A 92 14.671 -7.973 -3.602 1.00 0.00 N ATOM 0 H LYS A 92 17.157 -3.556 -5.875 1.00 0.00 H new ATOM 0 HA LYS A 92 16.901 -6.513 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.861 -5.331 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.810 -4.433 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.242 -6.248 -6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.584 -6.601 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.206 -8.649 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.586 -7.970 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.123 -7.011 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.096 -8.760 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.115 -8.133 -2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.338 -8.760 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.200 -7.082 -3.513 1.00 0.00 H new ATOM 737 N TYR A 93 17.439 -6.715 -8.253 1.00 0.00 N ATOM 738 CA TYR A 93 17.884 -6.885 -9.634 1.00 0.00 C ATOM 739 C TYR A 93 16.948 -7.811 -10.437 1.00 0.00 C ATOM 740 O TYR A 93 17.105 -7.945 -11.649 1.00 0.00 O ATOM 741 CB TYR A 93 19.324 -7.429 -9.631 1.00 0.00 C ATOM 742 CG TYR A 93 20.190 -6.843 -8.528 1.00 0.00 C ATOM 743 CD1 TYR A 93 20.008 -7.219 -7.198 1.00 0.00 C ATOM 744 CD2 TYR A 93 21.175 -5.905 -8.809 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.780 -6.678 -6.190 1.00 0.00 C ATOM 746 CE2 TYR A 93 21.951 -5.361 -7.801 1.00 0.00 C ATOM 747 CZ TYR A 93 21.747 -5.750 -6.495 1.00 0.00 C ATOM 748 OH TYR A 93 22.513 -5.212 -5.488 1.00 0.00 O ATOM 0 H TYR A 93 17.482 -7.568 -7.695 1.00 0.00 H new ATOM 0 HA TYR A 93 17.856 -5.914 -10.129 1.00 0.00 H new ATOM 0 HB2 TYR A 93 19.294 -8.513 -9.522 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.786 -7.218 -10.596 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.249 -7.947 -6.952 1.00 0.00 H new ATOM 0 HD2 TYR A 93 21.338 -5.595 -9.831 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.625 -6.983 -5.166 1.00 0.00 H new ATOM 0 HE2 TYR A 93 22.714 -4.634 -8.037 1.00 0.00 H new ATOM 0 HH TYR A 93 23.151 -4.573 -5.868 1.00 0.00 H new ATOM 758 N ASN A 94 15.974 -8.440 -9.758 1.00 0.00 N ATOM 759 CA ASN A 94 15.014 -9.342 -10.413 1.00 0.00 C ATOM 760 C ASN A 94 14.013 -9.919 -9.396 1.00 0.00 C ATOM 761 O ASN A 94 14.306 -10.904 -8.715 1.00 0.00 O ATOM 762 CB ASN A 94 15.750 -10.486 -11.124 1.00 0.00 C ATOM 763 CG ASN A 94 14.913 -11.121 -12.216 1.00 0.00 C ATOM 764 OD1 ASN A 94 14.986 -10.729 -13.379 1.00 0.00 O ATOM 765 ND2 ASN A 94 14.109 -12.104 -11.851 1.00 0.00 N ATOM 0 H ASN A 94 15.831 -8.339 -8.753 1.00 0.00 H new ATOM 0 HA ASN A 94 14.461 -8.760 -11.151 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.676 -10.106 -11.555 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.026 -11.246 -10.393 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.521 -12.566 -12.545 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.077 -12.401 -10.876 1.00 0.00 H new ATOM 772 N THR A 95 12.831 -9.301 -9.295 1.00 0.00 N ATOM 773 CA THR A 95 11.795 -9.750 -8.363 1.00 0.00 C ATOM 774 C THR A 95 11.123 -11.034 -8.846 1.00 0.00 C ATOM 775 O THR A 95 10.932 -11.247 -10.044 1.00 0.00 O ATOM 776 CB THR A 95 10.736 -8.659 -8.151 1.00 0.00 C ATOM 777 OG1 THR A 95 10.749 -7.726 -9.216 1.00 0.00 O ATOM 778 CG2 THR A 95 10.926 -7.880 -6.870 1.00 0.00 C ATOM 0 H THR A 95 12.569 -8.486 -9.850 1.00 0.00 H new ATOM 0 HA THR A 95 12.287 -9.956 -7.413 1.00 0.00 H new ATOM 0 HB THR A 95 9.787 -9.193 -8.102 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.065 -7.042 -9.060 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.144 -7.126 -6.783 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.871 -8.559 -6.019 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.901 -7.392 -6.882 1.00 0.00 H new ATOM 786 N THR A 96 10.778 -11.886 -7.892 1.00 0.00 N ATOM 787 CA THR A 96 10.132 -13.171 -8.181 1.00 0.00 C ATOM 788 C THR A 96 8.739 -13.255 -7.552 1.00 0.00 C ATOM 789 O THR A 96 7.737 -13.400 -8.254 1.00 0.00 O ATOM 790 CB THR A 96 11.004 -14.325 -7.668 1.00 0.00 C ATOM 791 OG1 THR A 96 11.197 -14.224 -6.261 1.00 0.00 O ATOM 792 CG2 THR A 96 12.369 -14.376 -8.319 1.00 0.00 C ATOM 0 H THR A 96 10.934 -11.714 -6.899 1.00 0.00 H new ATOM 0 HA THR A 96 10.019 -13.250 -9.262 1.00 0.00 H new ATOM 0 HB THR A 96 10.463 -15.235 -7.926 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.754 -14.969 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.935 -15.214 -7.912 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.254 -14.504 -9.395 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.902 -13.447 -8.119 1.00 0.00 H new ATOM 800 N ARG A 97 8.688 -13.179 -6.225 1.00 0.00 N ATOM 801 CA ARG A 97 7.427 -13.258 -5.494 1.00 0.00 C ATOM 802 C ARG A 97 6.877 -11.864 -5.160 1.00 0.00 C ATOM 803 O ARG A 97 7.506 -10.846 -5.458 1.00 0.00 O ATOM 804 CB ARG A 97 7.625 -14.078 -4.215 1.00 0.00 C ATOM 805 CG ARG A 97 8.144 -15.490 -4.465 1.00 0.00 C ATOM 806 CD ARG A 97 8.814 -16.056 -3.227 1.00 0.00 C ATOM 807 NE ARG A 97 10.148 -16.590 -3.508 1.00 0.00 N ATOM 808 CZ ARG A 97 10.474 -17.882 -3.486 1.00 0.00 C ATOM 809 NH1 ARG A 97 9.564 -18.817 -3.339 1.00 0.00 N ATOM 810 NH2 ARG A 97 11.725 -18.227 -3.633 1.00 0.00 N ATOM 0 H ARG A 97 9.509 -13.062 -5.632 1.00 0.00 H new ATOM 0 HA ARG A 97 6.693 -13.751 -6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.324 -13.554 -3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.676 -14.138 -3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.318 -16.136 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.853 -15.478 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.890 -15.276 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.190 -16.846 -2.809 1.00 0.00 H new ATOM 0 HE ARG A 97 10.884 -15.922 -3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.582 -18.561 -3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.839 -19.799 -3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.440 -17.511 -3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.987 -19.213 -3.618 1.00 0.00 H new ATOM 824 N ASN A 98 5.690 -11.831 -4.550 1.00 0.00 N ATOM 825 CA ASN A 98 5.032 -10.568 -4.185 1.00 0.00 C ATOM 826 C ASN A 98 4.344 -10.656 -2.815 1.00 0.00 C ATOM 827 O ASN A 98 4.378 -11.696 -2.152 1.00 0.00 O ATOM 828 CB ASN A 98 3.999 -10.202 -5.255 1.00 0.00 C ATOM 829 CG ASN A 98 3.177 -11.397 -5.687 1.00 0.00 C ATOM 830 OD1 ASN A 98 3.485 -12.050 -6.677 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.138 -11.709 -4.931 1.00 0.00 N ATOM 0 H ASN A 98 5.161 -12.666 -4.297 1.00 0.00 H new ATOM 0 HA ASN A 98 5.800 -9.797 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.336 -9.428 -4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.509 -9.781 -6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.562 -12.518 -5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.913 -11.141 -4.114 1.00 0.00 H new ATOM 838 N ALA A 99 3.709 -9.552 -2.408 1.00 0.00 N ATOM 839 CA ALA A 99 2.997 -9.488 -1.135 1.00 0.00 C ATOM 840 C ALA A 99 1.530 -9.880 -1.319 1.00 0.00 C ATOM 841 O ALA A 99 0.803 -9.254 -2.096 1.00 0.00 O ATOM 842 CB ALA A 99 3.107 -8.090 -0.540 1.00 0.00 C ATOM 0 H ALA A 99 3.676 -8.687 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 99 3.455 -10.197 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.572 -8.055 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.156 -7.847 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.671 -7.366 -1.229 1.00 0.00 H new ATOM 848 N TYR A 100 1.105 -10.925 -0.612 1.00 0.00 N ATOM 849 CA TYR A 100 -0.271 -11.410 -0.708 1.00 0.00 C ATOM 850 C TYR A 100 -1.175 -10.765 0.353 1.00 0.00 C ATOM 851 O TYR A 100 -1.148 -11.146 1.527 1.00 0.00 O ATOM 852 CB TYR A 100 -0.300 -12.940 -0.570 1.00 0.00 C ATOM 853 CG TYR A 100 0.580 -13.676 -1.565 1.00 0.00 C ATOM 854 CD1 TYR A 100 0.185 -13.840 -2.888 1.00 0.00 C ATOM 855 CD2 TYR A 100 1.801 -14.211 -1.178 1.00 0.00 C ATOM 856 CE1 TYR A 100 0.983 -14.513 -3.794 1.00 0.00 C ATOM 857 CE2 TYR A 100 2.602 -14.886 -2.079 1.00 0.00 C ATOM 858 CZ TYR A 100 2.188 -15.035 -3.383 1.00 0.00 C ATOM 859 OH TYR A 100 2.984 -15.706 -4.280 1.00 0.00 O ATOM 0 H TYR A 100 1.693 -11.452 0.033 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.657 -11.127 -1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.012 -13.208 0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.328 -13.284 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -0.762 -13.435 -3.213 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.130 -14.098 -0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.662 -14.629 -4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.550 -15.295 -1.761 1.00 0.00 H new ATOM 0 HH TYR A 100 3.800 -16.010 -3.830 1.00 0.00 H new ATOM 869 N ARG A 101 -1.985 -9.790 -0.069 1.00 0.00 N ATOM 870 CA ARG A 101 -2.907 -9.109 0.843 1.00 0.00 C ATOM 871 C ARG A 101 -4.357 -9.363 0.420 1.00 0.00 C ATOM 872 O ARG A 101 -4.906 -8.650 -0.424 1.00 0.00 O ATOM 873 CB ARG A 101 -2.622 -7.600 0.895 1.00 0.00 C ATOM 874 CG ARG A 101 -3.156 -6.926 2.155 1.00 0.00 C ATOM 875 CD ARG A 101 -2.722 -5.476 2.243 1.00 0.00 C ATOM 876 NE ARG A 101 -3.817 -4.589 2.647 1.00 0.00 N ATOM 877 CZ ARG A 101 -4.235 -4.439 3.900 1.00 0.00 C ATOM 878 NH1 ARG A 101 -3.765 -5.202 4.869 1.00 0.00 N ATOM 879 NH2 ARG A 101 -5.150 -3.536 4.180 1.00 0.00 N ATOM 0 H ARG A 101 -2.021 -9.456 -1.032 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.755 -9.515 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.546 -7.439 0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.066 -7.124 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.245 -6.981 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.803 -7.465 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.904 -5.387 2.957 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.336 -5.155 1.275 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.289 -4.052 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.071 -5.920 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.096 -5.074 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.536 -2.954 3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -5.473 -3.418 5.140 1.00 0.00 H new ATOM 893 N GLU A 102 -4.968 -10.390 1.007 1.00 0.00 N ATOM 894 CA GLU A 102 -6.352 -10.747 0.691 1.00 0.00 C ATOM 895 C GLU A 102 -7.333 -9.954 1.561 1.00 0.00 C ATOM 896 O GLU A 102 -7.072 -9.715 2.743 1.00 0.00 O ATOM 897 CB GLU A 102 -6.566 -12.253 0.888 1.00 0.00 C ATOM 898 CG GLU A 102 -7.572 -12.857 -0.085 1.00 0.00 C ATOM 899 CD GLU A 102 -8.134 -14.185 0.386 1.00 0.00 C ATOM 900 OE1 GLU A 102 -8.997 -14.179 1.288 1.00 0.00 O ATOM 901 OE2 GLU A 102 -7.715 -15.231 -0.155 1.00 0.00 O ATOM 0 H GLU A 102 -4.528 -10.990 1.704 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.542 -10.495 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.611 -12.765 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.906 -12.433 1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.392 -12.154 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.093 -12.996 -1.054 1.00 0.00 H new ATOM 908 N CYS A 103 -8.459 -9.545 0.974 1.00 0.00 N ATOM 909 CA CYS A 103 -9.469 -8.778 1.714 1.00 0.00 C ATOM 910 C CYS A 103 -10.423 -9.704 2.468 1.00 0.00 C ATOM 911 O CYS A 103 -10.868 -10.724 1.935 1.00 0.00 O ATOM 912 CB CYS A 103 -10.260 -7.855 0.780 1.00 0.00 C ATOM 913 SG CYS A 103 -10.499 -6.171 1.440 1.00 0.00 S ATOM 0 H CYS A 103 -8.696 -9.728 -0.001 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.939 -8.162 2.440 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.741 -7.790 -0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.235 -8.301 0.584 1.00 0.00 H new ATOM 918 N LEU A 104 -10.732 -9.338 3.712 1.00 0.00 N ATOM 919 CA LEU A 104 -11.628 -10.125 4.557 1.00 0.00 C ATOM 920 C LEU A 104 -12.997 -10.329 3.902 1.00 0.00 C ATOM 921 O LEU A 104 -13.489 -9.473 3.164 1.00 0.00 O ATOM 922 CB LEU A 104 -11.802 -9.461 5.927 1.00 0.00 C ATOM 923 CG LEU A 104 -10.534 -9.365 6.778 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.765 -8.442 7.961 1.00 0.00 C ATOM 925 CD2 LEU A 104 -10.102 -10.743 7.257 1.00 0.00 C ATOM 0 H LEU A 104 -10.371 -8.495 4.159 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.167 -11.104 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.195 -8.455 5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.554 -10.016 6.488 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.735 -8.952 6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.855 -8.382 8.559 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.029 -7.448 7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.577 -8.833 8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.199 -10.652 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.897 -11.185 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.901 -11.381 6.396 1.00 0.00 H new ATOM 937 N GLU A 105 -13.599 -11.475 4.200 1.00 0.00 N ATOM 938 CA GLU A 105 -14.913 -11.848 3.672 1.00 0.00 C ATOM 939 C GLU A 105 -16.016 -10.902 4.154 1.00 0.00 C ATOM 940 O GLU A 105 -16.981 -10.646 3.433 1.00 0.00 O ATOM 941 CB GLU A 105 -15.239 -13.286 4.082 1.00 0.00 C ATOM 942 CG GLU A 105 -16.118 -14.025 3.084 1.00 0.00 C ATOM 943 CD GLU A 105 -15.643 -15.439 2.824 1.00 0.00 C ATOM 944 OE1 GLU A 105 -15.918 -16.320 3.665 1.00 0.00 O ATOM 945 OE2 GLU A 105 -14.997 -15.664 1.781 1.00 0.00 O ATOM 0 H GLU A 105 -13.190 -12.177 4.817 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.871 -11.771 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.308 -13.838 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.737 -13.273 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.142 -14.053 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -16.137 -13.473 2.144 1.00 0.00 H new ATOM 952 N ASN A 106 -15.864 -10.380 5.374 1.00 0.00 N ATOM 953 CA ASN A 106 -16.848 -9.454 5.952 1.00 0.00 C ATOM 954 C ASN A 106 -16.943 -8.144 5.153 1.00 0.00 C ATOM 955 O ASN A 106 -17.861 -7.351 5.367 1.00 0.00 O ATOM 956 CB ASN A 106 -16.492 -9.143 7.409 1.00 0.00 C ATOM 957 CG ASN A 106 -17.105 -10.128 8.383 1.00 0.00 C ATOM 958 OD1 ASN A 106 -18.308 -10.373 8.361 1.00 0.00 O ATOM 959 ND2 ASN A 106 -16.282 -10.696 9.251 1.00 0.00 N ATOM 0 H ASN A 106 -15.070 -10.581 5.982 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.820 -9.946 5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.408 -9.151 7.524 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.831 -8.137 7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.642 -11.363 9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.288 -10.466 9.237 1.00 0.00 H new ATOM 966 N GLY A 107 -15.991 -7.919 4.241 1.00 0.00 N ATOM 967 CA GLY A 107 -15.992 -6.705 3.439 1.00 0.00 C ATOM 968 C GLY A 107 -14.987 -5.676 3.928 1.00 0.00 C ATOM 969 O GLY A 107 -15.216 -4.474 3.793 1.00 0.00 O ATOM 0 H GLY A 107 -15.220 -8.558 4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.770 -6.959 2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.990 -6.267 3.453 1.00 0.00 H new ATOM 973 N THR A 108 -13.871 -6.143 4.491 1.00 0.00 N ATOM 974 CA THR A 108 -12.830 -5.242 4.994 1.00 0.00 C ATOM 975 C THR A 108 -11.439 -5.801 4.704 1.00 0.00 C ATOM 976 O THR A 108 -11.293 -6.976 4.384 1.00 0.00 O ATOM 977 CB THR A 108 -13.003 -4.999 6.499 1.00 0.00 C ATOM 978 OG1 THR A 108 -13.103 -6.222 7.206 1.00 0.00 O ATOM 979 CG2 THR A 108 -14.230 -4.181 6.830 1.00 0.00 C ATOM 0 H THR A 108 -13.664 -7.135 4.610 1.00 0.00 H new ATOM 0 HA THR A 108 -12.932 -4.289 4.475 1.00 0.00 H new ATOM 0 HB THR A 108 -12.115 -4.444 6.802 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.211 -6.039 8.163 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.296 -4.044 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 108 -14.160 -3.208 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.120 -4.700 6.475 1.00 0.00 H new ATOM 987 N TRP A 109 -10.416 -4.957 4.808 1.00 0.00 N ATOM 988 CA TRP A 109 -9.042 -5.393 4.544 1.00 0.00 C ATOM 989 C TRP A 109 -8.526 -6.321 5.652 1.00 0.00 C ATOM 990 O TRP A 109 -9.021 -6.291 6.778 1.00 0.00 O ATOM 991 CB TRP A 109 -8.122 -4.177 4.389 1.00 0.00 C ATOM 992 CG TRP A 109 -8.121 -3.604 2.998 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.753 -2.464 2.577 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.447 -4.135 1.848 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.519 -2.261 1.236 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.721 -3.272 0.766 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.640 -5.258 1.628 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.214 -3.500 -0.512 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.140 -5.482 0.358 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.429 -4.607 -0.697 1.00 0.00 C ATOM 0 H TRP A 109 -10.507 -3.976 5.071 1.00 0.00 H new ATOM 0 HA TRP A 109 -9.041 -5.959 3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -8.432 -3.404 5.092 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -7.105 -4.463 4.657 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.348 -1.818 3.206 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.880 -1.485 0.682 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.412 -5.937 2.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.433 -2.827 -1.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.517 -6.345 0.177 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.024 -4.810 -1.677 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.535 -7.151 5.317 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.959 -8.096 6.279 1.00 0.00 C ATOM 1013 C ALA A 110 -6.058 -7.398 7.306 1.00 0.00 C ATOM 1014 O ALA A 110 -5.497 -6.327 7.039 1.00 0.00 O ATOM 1015 CB ALA A 110 -6.195 -9.194 5.547 1.00 0.00 C ATOM 0 H ALA A 110 -7.115 -7.188 4.388 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.784 -8.546 6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.772 -9.889 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.874 -9.730 4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.391 -8.749 4.960 1.00 0.00 H new ATOM 1021 N SER A 111 -5.936 -8.019 8.487 1.00 0.00 N ATOM 1022 CA SER A 111 -5.120 -7.479 9.585 1.00 0.00 C ATOM 1023 C SER A 111 -3.621 -7.531 9.268 1.00 0.00 C ATOM 1024 O SER A 111 -2.931 -6.515 9.347 1.00 0.00 O ATOM 1025 CB SER A 111 -5.410 -8.250 10.886 1.00 0.00 C ATOM 1026 OG SER A 111 -4.732 -7.678 11.999 1.00 0.00 O ATOM 0 H SER A 111 -6.396 -8.902 8.708 1.00 0.00 H new ATOM 0 HA SER A 111 -5.393 -6.431 9.711 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.483 -8.253 11.076 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.104 -9.290 10.769 1.00 0.00 H new ATOM 0 HG SER A 111 -5.061 -8.086 12.827 1.00 0.00 H new ATOM 1032 N ARG A 112 -3.121 -8.718 8.921 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.701 -8.899 8.606 1.00 0.00 C ATOM 1034 C ARG A 112 -1.502 -9.247 7.123 1.00 0.00 C ATOM 1035 O ARG A 112 -2.250 -10.048 6.565 1.00 0.00 O ATOM 1036 CB ARG A 112 -1.106 -10.008 9.492 1.00 0.00 C ATOM 1037 CG ARG A 112 -1.231 -9.743 10.993 1.00 0.00 C ATOM 1038 CD ARG A 112 -2.435 -10.455 11.596 1.00 0.00 C ATOM 1039 NE ARG A 112 -2.137 -11.041 12.913 1.00 0.00 N ATOM 1040 CZ ARG A 112 -2.409 -10.460 14.082 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -2.945 -9.254 14.132 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -2.136 -11.094 15.207 1.00 0.00 N ATOM 0 H ARG A 112 -3.678 -9.570 8.851 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.185 -7.960 8.805 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.602 -10.950 9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.052 -10.131 9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.323 -10.074 11.497 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.319 -8.670 11.166 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.260 -9.749 11.693 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.766 -11.241 10.918 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.690 -11.958 12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.157 -8.754 13.269 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.147 -8.823 15.034 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.719 -12.024 15.180 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.342 -10.654 16.104 1.00 0.00 H new ATOM 1056 N VAL A 113 -0.482 -8.654 6.495 1.00 0.00 N ATOM 1057 CA VAL A 113 -0.183 -8.922 5.082 1.00 0.00 C ATOM 1058 C VAL A 113 0.666 -10.191 4.956 1.00 0.00 C ATOM 1059 O VAL A 113 1.649 -10.357 5.681 1.00 0.00 O ATOM 1060 CB VAL A 113 0.562 -7.735 4.416 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.584 -7.881 2.898 1.00 0.00 C ATOM 1062 CG2 VAL A 113 -0.069 -6.405 4.810 1.00 0.00 C ATOM 0 H VAL A 113 0.149 -7.987 6.939 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.134 -9.058 4.567 1.00 0.00 H new ATOM 0 HB VAL A 113 1.591 -7.749 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.112 -7.035 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.093 -8.806 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.438 -7.906 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.472 -5.589 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.111 -6.388 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.020 -6.285 5.892 1.00 0.00 H new ATOM 1072 N ASN A 114 0.282 -11.097 4.052 1.00 0.00 N ATOM 1073 CA ASN A 114 1.020 -12.354 3.874 1.00 0.00 C ATOM 1074 C ASN A 114 2.371 -12.131 3.180 1.00 0.00 C ATOM 1075 O ASN A 114 2.625 -12.656 2.091 1.00 0.00 O ATOM 1076 CB ASN A 114 0.174 -13.371 3.096 1.00 0.00 C ATOM 1077 CG ASN A 114 -0.845 -14.070 3.978 1.00 0.00 C ATOM 1078 OD1 ASN A 114 -1.611 -13.427 4.688 1.00 0.00 O ATOM 1079 ND2 ASN A 114 -0.861 -15.395 3.937 1.00 0.00 N ATOM 0 H ASN A 114 -0.525 -10.988 3.438 1.00 0.00 H new ATOM 0 HA ASN A 114 1.226 -12.755 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -0.342 -12.863 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 114 0.830 -14.115 2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.527 -15.915 4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.208 -15.894 3.334 1.00 0.00 H new ATOM 1086 N TYR A 115 3.247 -11.369 3.837 1.00 0.00 N ATOM 1087 CA TYR A 115 4.583 -11.096 3.298 1.00 0.00 C ATOM 1088 C TYR A 115 5.596 -12.136 3.784 1.00 0.00 C ATOM 1089 O TYR A 115 6.746 -11.807 4.081 1.00 0.00 O ATOM 1090 CB TYR A 115 5.069 -9.679 3.658 1.00 0.00 C ATOM 1091 CG TYR A 115 4.592 -9.150 4.996 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.918 -9.788 6.187 1.00 0.00 C ATOM 1093 CD2 TYR A 115 3.823 -7.998 5.061 1.00 0.00 C ATOM 1094 CE1 TYR A 115 4.485 -9.290 7.404 1.00 0.00 C ATOM 1095 CE2 TYR A 115 3.391 -7.494 6.272 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.723 -8.142 7.438 1.00 0.00 C ATOM 1097 OH TYR A 115 3.289 -7.639 8.644 1.00 0.00 O ATOM 0 H TYR A 115 3.058 -10.931 4.739 1.00 0.00 H new ATOM 0 HA TYR A 115 4.505 -11.160 2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.159 -9.674 3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.743 -8.992 2.877 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.518 -10.686 6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 115 3.557 -7.486 4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 115 4.743 -9.798 8.321 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.795 -6.594 6.303 1.00 0.00 H new ATOM 0 HH TYR A 115 2.765 -6.825 8.490 1.00 0.00 H new ATOM 1107 N SER A 116 5.173 -13.399 3.836 1.00 0.00 N ATOM 1108 CA SER A 116 6.058 -14.482 4.259 1.00 0.00 C ATOM 1109 C SER A 116 7.205 -14.664 3.258 1.00 0.00 C ATOM 1110 O SER A 116 8.253 -15.208 3.601 1.00 0.00 O ATOM 1111 CB SER A 116 5.276 -15.791 4.411 1.00 0.00 C ATOM 1112 OG SER A 116 4.971 -16.047 5.773 1.00 0.00 O ATOM 0 H SER A 116 4.228 -13.696 3.592 1.00 0.00 H new ATOM 0 HA SER A 116 6.481 -14.216 5.228 1.00 0.00 H new ATOM 0 HB2 SER A 116 4.354 -15.737 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.860 -16.617 4.004 1.00 0.00 H new ATOM 0 HG SER A 116 4.470 -16.887 5.844 1.00 0.00 H new ATOM 1118 N HIS A 117 6.994 -14.194 2.024 1.00 0.00 N ATOM 1119 CA HIS A 117 8.004 -14.287 0.973 1.00 0.00 C ATOM 1120 C HIS A 117 8.930 -13.058 1.005 1.00 0.00 C ATOM 1121 O HIS A 117 9.733 -12.915 1.927 1.00 0.00 O ATOM 1122 CB HIS A 117 7.322 -14.437 -0.398 1.00 0.00 C ATOM 1123 CG HIS A 117 6.578 -15.728 -0.577 1.00 0.00 C ATOM 1124 ND1 HIS A 117 6.628 -16.762 0.332 1.00 0.00 N ATOM 1125 CD2 HIS A 117 5.755 -16.144 -1.569 1.00 0.00 C ATOM 1126 CE1 HIS A 117 5.871 -17.758 -0.091 1.00 0.00 C ATOM 1127 NE2 HIS A 117 5.326 -17.409 -1.243 1.00 0.00 N ATOM 0 H HIS A 117 6.127 -13.744 1.731 1.00 0.00 H new ATOM 0 HA HIS A 117 8.619 -15.170 1.147 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.628 -13.608 -0.539 1.00 0.00 H new ATOM 0 HB3 HIS A 117 8.079 -14.355 -1.178 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.485 -15.585 -2.453 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.723 -18.699 0.418 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.692 -17.983 -1.799 1.00 0.00 H new ATOM 1136 N CYS A 118 8.817 -12.164 0.007 1.00 0.00 N ATOM 1137 CA CYS A 118 9.656 -10.957 -0.048 1.00 0.00 C ATOM 1138 C CYS A 118 11.134 -11.305 0.151 1.00 0.00 C ATOM 1139 O CYS A 118 11.813 -10.721 0.996 1.00 0.00 O ATOM 1140 CB CYS A 118 9.200 -9.949 1.014 1.00 0.00 C ATOM 1141 SG CYS A 118 9.444 -8.203 0.549 1.00 0.00 S ATOM 0 H CYS A 118 8.158 -12.254 -0.766 1.00 0.00 H new ATOM 0 HA CYS A 118 9.544 -10.509 -1.035 1.00 0.00 H new ATOM 0 HB2 CYS A 118 8.143 -10.113 1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.741 -10.145 1.940 1.00 0.00 H new ATOM 1146 N GLU A 119 11.622 -12.274 -0.625 1.00 0.00 N ATOM 1147 CA GLU A 119 13.017 -12.716 -0.530 1.00 0.00 C ATOM 1148 C GLU A 119 13.987 -11.676 -1.111 1.00 0.00 C ATOM 1149 O GLU A 119 13.609 -10.846 -1.943 1.00 0.00 O ATOM 1150 CB GLU A 119 13.200 -14.066 -1.243 1.00 0.00 C ATOM 1151 CG GLU A 119 12.731 -14.066 -2.694 1.00 0.00 C ATOM 1152 CD GLU A 119 13.456 -15.084 -3.544 1.00 0.00 C ATOM 1153 OE1 GLU A 119 14.510 -14.750 -4.111 1.00 0.00 O ATOM 1154 OE2 GLU A 119 12.961 -16.210 -3.651 1.00 0.00 O ATOM 0 H GLU A 119 11.072 -12.769 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 119 13.251 -12.833 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.254 -14.342 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.653 -14.833 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.661 -14.270 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.879 -13.073 -3.119 1.00 0.00 H new ATOM 1161 N PRO A 120 15.262 -11.706 -0.665 1.00 0.00 N ATOM 1162 CA PRO A 120 16.308 -10.774 -1.126 1.00 0.00 C ATOM 1163 C PRO A 120 16.802 -11.105 -2.543 1.00 0.00 C ATOM 1164 O PRO A 120 16.051 -11.650 -3.349 1.00 0.00 O ATOM 1165 CB PRO A 120 17.438 -10.966 -0.098 1.00 0.00 C ATOM 1166 CG PRO A 120 16.853 -11.803 0.989 1.00 0.00 C ATOM 1167 CD PRO A 120 15.797 -12.637 0.331 1.00 0.00 C ATOM 0 HA PRO A 120 15.943 -9.749 -1.187 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.300 -11.457 -0.550 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.784 -10.007 0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 120 17.614 -12.430 1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 120 16.427 -11.181 1.777 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.211 -13.534 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 120 15.034 -12.964 1.038 1.00 0.00 H new ATOM 1175 N ILE A 121 18.068 -10.770 -2.845 1.00 0.00 N ATOM 1176 CA ILE A 121 18.634 -11.038 -4.174 1.00 0.00 C ATOM 1177 C ILE A 121 20.092 -10.569 -4.297 1.00 0.00 C ATOM 1178 O ILE A 121 20.503 -9.610 -3.641 1.00 0.00 O ATOM 1179 CB ILE A 121 17.795 -10.356 -5.276 1.00 0.00 C ATOM 1180 CG1 ILE A 121 18.237 -10.829 -6.662 1.00 0.00 C ATOM 1181 CG2 ILE A 121 17.902 -8.839 -5.172 1.00 0.00 C ATOM 1182 CD1 ILE A 121 17.384 -10.280 -7.782 1.00 0.00 C ATOM 0 H ILE A 121 18.711 -10.319 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 121 18.610 -12.120 -4.303 1.00 0.00 H new ATOM 0 HB ILE A 121 16.752 -10.638 -5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 121 19.273 -10.533 -6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.208 -11.918 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 121 17.304 -8.377 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 121 17.535 -8.514 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 121 18.944 -8.539 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 121 17.752 -10.655 -8.737 1.00 0.00 H new ATOM 0 HD12 ILE A 121 16.351 -10.597 -7.642 1.00 0.00 H new ATOM 0 HD13 ILE A 121 17.433 -9.191 -7.776 1.00 0.00 H new ATOM 1260 N GLU B 230 21.256 -2.767 4.053 1.00 0.00 N ATOM 1261 CA GLU B 230 20.442 -1.640 3.615 1.00 0.00 C ATOM 1262 C GLU B 230 19.069 -2.132 3.172 1.00 0.00 C ATOM 1263 O GLU B 230 18.049 -1.628 3.637 1.00 0.00 O ATOM 1264 CB GLU B 230 21.133 -0.863 2.490 1.00 0.00 C ATOM 1265 CG GLU B 230 21.997 0.279 3.000 1.00 0.00 C ATOM 1266 CD GLU B 230 21.185 1.419 3.606 1.00 0.00 C ATOM 1267 OE1 GLU B 230 21.662 2.551 3.671 1.00 0.00 O ATOM 0 HA GLU B 230 20.316 -0.957 4.455 1.00 0.00 H new ATOM 0 HB2 GLU B 230 21.751 -1.548 1.910 1.00 0.00 H new ATOM 0 HB3 GLU B 230 20.377 -0.465 1.813 1.00 0.00 H new ATOM 0 HG2 GLU B 230 22.690 -0.104 3.749 1.00 0.00 H new ATOM 0 HG3 GLU B 230 22.599 0.666 2.178 1.00 0.00 H new ATOM 1274 N ALA B 231 19.033 -3.149 2.304 1.00 0.00 N ATOM 1275 CA ALA B 231 17.752 -3.714 1.868 1.00 0.00 C ATOM 1276 C ALA B 231 17.004 -4.316 3.068 1.00 0.00 C ATOM 1277 O ALA B 231 15.771 -4.373 3.081 1.00 0.00 O ATOM 1278 CB ALA B 231 17.963 -4.755 0.773 1.00 0.00 C ATOM 0 H ALA B 231 19.858 -3.590 1.897 1.00 0.00 H new ATOM 0 HA ALA B 231 17.142 -2.914 1.449 1.00 0.00 H new ATOM 0 HB1 ALA B 231 16.999 -5.160 0.466 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.450 -4.289 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.591 -5.561 1.153 1.00 0.00 H new ATOM 1284 N HIS B 232 17.766 -4.743 4.086 1.00 0.00 N ATOM 1285 CA HIS B 232 17.194 -5.317 5.310 1.00 0.00 C ATOM 1286 C HIS B 232 16.228 -4.334 5.972 1.00 0.00 C ATOM 1287 O HIS B 232 15.040 -4.633 6.096 1.00 0.00 O ATOM 1288 CB HIS B 232 18.316 -5.688 6.286 1.00 0.00 C ATOM 1289 CG HIS B 232 17.920 -6.647 7.368 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.639 -7.138 7.533 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.662 -7.205 8.351 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.615 -7.958 8.571 1.00 0.00 C ATOM 1293 NE2 HIS B 232 17.831 -8.014 9.082 1.00 0.00 N ATOM 0 H HIS B 232 18.785 -4.701 4.084 1.00 0.00 H new ATOM 0 HA HIS B 232 16.638 -6.216 5.042 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.141 -6.121 5.721 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.692 -4.775 6.749 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.715 -7.043 8.528 1.00 0.00 H new ATOM 0 HE1 HIS B 232 15.749 -8.490 8.937 1.00 0.00 H new ATOM 0 HE2 HIS B 232 18.108 -8.570 9.891 1.00 0.00 H new ATOM 1302 N LYS B 233 16.732 -3.157 6.375 1.00 0.00 N ATOM 1303 CA LYS B 233 15.878 -2.139 6.997 1.00 0.00 C ATOM 1304 C LYS B 233 14.674 -1.860 6.101 1.00 0.00 C ATOM 1305 O LYS B 233 13.543 -1.724 6.581 1.00 0.00 O ATOM 1306 CB LYS B 233 16.655 -0.839 7.268 1.00 0.00 C ATOM 1307 CG LYS B 233 17.326 -0.223 6.046 1.00 0.00 C ATOM 1308 CD LYS B 233 18.144 1.012 6.420 1.00 0.00 C ATOM 1309 CE LYS B 233 18.237 2.014 5.272 1.00 0.00 C ATOM 1310 NZ LYS B 233 18.996 1.489 4.143 1.00 0.00 N ATOM 0 H LYS B 233 17.712 -2.891 6.282 1.00 0.00 H new ATOM 0 HA LYS B 233 15.535 -2.523 7.958 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.970 -0.107 7.696 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.418 -1.039 8.020 1.00 0.00 H new ATOM 0 HG2 LYS B 233 17.975 -0.961 5.575 1.00 0.00 H new ATOM 0 HG3 LYS B 233 16.568 0.050 5.312 1.00 0.00 H new ATOM 0 HD2 LYS B 233 17.692 1.496 7.286 1.00 0.00 H new ATOM 0 HD3 LYS B 233 19.148 0.705 6.714 1.00 0.00 H new ATOM 0 HE2 LYS B 233 17.233 2.279 4.941 1.00 0.00 H new ATOM 0 HE3 LYS B 233 18.707 2.930 5.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 19.381 2.279 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 19.778 0.899 4.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 18.372 0.914 3.542 1.00 0.00 H new ATOM 1322 N ASN B 234 14.927 -1.818 4.790 1.00 0.00 N ATOM 1323 CA ASN B 234 13.871 -1.600 3.809 1.00 0.00 C ATOM 1324 C ASN B 234 12.769 -2.637 4.020 1.00 0.00 C ATOM 1325 O ASN B 234 11.611 -2.291 4.257 1.00 0.00 O ATOM 1326 CB ASN B 234 14.448 -1.684 2.388 1.00 0.00 C ATOM 1327 CG ASN B 234 15.486 -0.605 2.114 1.00 0.00 C ATOM 1328 OD1 ASN B 234 15.670 0.318 2.904 1.00 0.00 O ATOM 1329 ND2 ASN B 234 16.166 -0.712 0.983 1.00 0.00 N ATOM 0 H ASN B 234 15.857 -1.933 4.387 1.00 0.00 H new ATOM 0 HA ASN B 234 13.444 -0.605 3.938 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.901 -2.665 2.241 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.637 -1.595 1.665 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.870 -0.014 0.743 1.00 0.00 H new ATOM 0 HD22 ASN B 234 15.986 -1.492 0.351 1.00 0.00 H new ATOM 1336 N ARG B 235 13.150 -3.916 3.973 1.00 0.00 N ATOM 1337 CA ARG B 235 12.210 -5.010 4.198 1.00 0.00 C ATOM 1338 C ARG B 235 11.670 -4.986 5.635 1.00 0.00 C ATOM 1339 O ARG B 235 10.476 -5.179 5.852 1.00 0.00 O ATOM 1340 CB ARG B 235 12.877 -6.358 3.910 1.00 0.00 C ATOM 1341 CG ARG B 235 12.281 -7.077 2.710 1.00 0.00 C ATOM 1342 CD ARG B 235 13.093 -8.302 2.319 1.00 0.00 C ATOM 1343 NE ARG B 235 14.055 -7.995 1.253 1.00 0.00 N ATOM 1344 CZ ARG B 235 15.376 -7.921 1.410 1.00 0.00 C ATOM 1345 NH1 ARG B 235 15.950 -8.201 2.569 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.132 -7.584 0.388 1.00 0.00 N ATOM 0 H ARG B 235 14.105 -4.217 3.781 1.00 0.00 H new ATOM 0 HA ARG B 235 11.372 -4.877 3.514 1.00 0.00 H new ATOM 0 HB2 ARG B 235 13.942 -6.200 3.739 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.787 -6.996 4.789 1.00 0.00 H new ATOM 0 HG2 ARG B 235 11.259 -7.378 2.939 1.00 0.00 H new ATOM 0 HG3 ARG B 235 12.230 -6.391 1.865 1.00 0.00 H new ATOM 0 HD2 ARG B 235 13.625 -8.681 3.192 1.00 0.00 H new ATOM 0 HD3 ARG B 235 12.421 -9.094 1.987 1.00 0.00 H new ATOM 0 HE ARG B 235 13.683 -7.825 0.319 1.00 0.00 H new ATOM 0 HH11 ARG B 235 15.379 -8.481 3.367 1.00 0.00 H new ATOM 0 HH12 ARG B 235 16.963 -8.137 2.665 1.00 0.00 H new ATOM 0 HH21 ARG B 235 15.706 -7.382 -0.516 1.00 0.00 H new ATOM 0 HH22 ARG B 235 17.144 -7.525 0.500 1.00 0.00 H new ATOM 1360 N LYS B 236 12.554 -4.737 6.611 1.00 0.00 N ATOM 1361 CA LYS B 236 12.167 -4.677 8.026 1.00 0.00 C ATOM 1362 C LYS B 236 10.888 -3.860 8.209 1.00 0.00 C ATOM 1363 O LYS B 236 10.002 -4.244 8.977 1.00 0.00 O ATOM 1364 CB LYS B 236 13.307 -4.074 8.856 1.00 0.00 C ATOM 1365 CG LYS B 236 13.174 -4.314 10.352 1.00 0.00 C ATOM 1366 CD LYS B 236 13.592 -5.728 10.738 1.00 0.00 C ATOM 1367 CE LYS B 236 12.434 -6.510 11.343 1.00 0.00 C ATOM 1368 NZ LYS B 236 12.897 -7.460 12.399 1.00 0.00 N ATOM 0 H LYS B 236 13.547 -4.573 6.444 1.00 0.00 H new ATOM 0 HA LYS B 236 11.972 -5.692 8.373 1.00 0.00 H new ATOM 0 HB2 LYS B 236 14.253 -4.493 8.514 1.00 0.00 H new ATOM 0 HB3 LYS B 236 13.348 -3.000 8.672 1.00 0.00 H new ATOM 0 HG2 LYS B 236 13.788 -3.593 10.892 1.00 0.00 H new ATOM 0 HG3 LYS B 236 12.141 -4.144 10.657 1.00 0.00 H new ATOM 0 HD2 LYS B 236 13.964 -6.251 9.857 1.00 0.00 H new ATOM 0 HD3 LYS B 236 14.414 -5.683 11.453 1.00 0.00 H new ATOM 0 HE2 LYS B 236 11.711 -5.816 11.771 1.00 0.00 H new ATOM 0 HE3 LYS B 236 11.919 -7.063 10.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 12.080 -7.973 12.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 13.568 -8.139 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 13.366 -6.930 13.161 1.00 0.00 H new ATOM 1382 N LEU B 237 10.793 -2.749 7.475 1.00 0.00 N ATOM 1383 CA LEU B 237 9.615 -1.874 7.514 1.00 0.00 C ATOM 1384 C LEU B 237 8.317 -2.689 7.353 1.00 0.00 C ATOM 1385 O LEU B 237 7.255 -2.273 7.814 1.00 0.00 O ATOM 1386 CB LEU B 237 9.744 -0.801 6.418 1.00 0.00 C ATOM 1387 CG LEU B 237 8.568 0.168 6.257 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.145 0.754 7.596 1.00 0.00 C ATOM 1389 CD2 LEU B 237 8.937 1.283 5.292 1.00 0.00 C ATOM 0 H LEU B 237 11.525 -2.430 6.840 1.00 0.00 H new ATOM 0 HA LEU B 237 9.564 -1.381 8.485 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.641 -0.216 6.620 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.901 -1.306 5.465 1.00 0.00 H new ATOM 0 HG LEU B 237 7.724 -0.392 5.854 1.00 0.00 H new ATOM 0 HD11 LEU B 237 7.309 1.437 7.446 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.841 -0.051 8.266 1.00 0.00 H new ATOM 0 HD13 LEU B 237 8.982 1.296 8.037 1.00 0.00 H new ATOM 0 HD21 LEU B 237 8.094 1.966 5.185 1.00 0.00 H new ATOM 0 HD22 LEU B 237 9.798 1.828 5.678 1.00 0.00 H new ATOM 0 HD23 LEU B 237 9.184 0.856 4.320 1.00 0.00 H new ATOM 1420 N GLU B 239 7.546 -5.575 8.797 1.00 0.00 N ATOM 1421 CA GLU B 239 7.093 -6.015 10.118 1.00 0.00 C ATOM 1422 C GLU B 239 6.139 -4.986 10.734 1.00 0.00 C ATOM 1423 O GLU B 239 5.212 -5.335 11.466 1.00 0.00 O ATOM 1424 CB GLU B 239 8.295 -6.232 11.041 1.00 0.00 C ATOM 1425 CG GLU B 239 7.901 -6.603 12.462 1.00 0.00 C ATOM 1426 CD GLU B 239 7.464 -8.046 12.582 1.00 0.00 C ATOM 1427 OE1 GLU B 239 8.345 -8.928 12.630 1.00 0.00 O ATOM 1428 OE2 GLU B 239 6.243 -8.292 12.618 1.00 0.00 O ATOM 0 HA GLU B 239 6.557 -6.957 10.002 1.00 0.00 H new ATOM 0 HB2 GLU B 239 8.924 -7.020 10.628 1.00 0.00 H new ATOM 0 HB3 GLU B 239 8.896 -5.323 11.063 1.00 0.00 H new ATOM 0 HG2 GLU B 239 8.745 -6.426 13.128 1.00 0.00 H new ATOM 0 HG3 GLU B 239 7.091 -5.952 12.793 1.00 0.00 H new ATOM 1435 N ILE B 240 6.368 -3.716 10.407 1.00 0.00 N ATOM 1436 CA ILE B 240 5.534 -2.618 10.899 1.00 0.00 C ATOM 1437 C ILE B 240 4.130 -2.650 10.285 1.00 0.00 C ATOM 1438 O ILE B 240 3.214 -1.992 10.778 1.00 0.00 O ATOM 1439 CB ILE B 240 6.184 -1.256 10.582 1.00 0.00 C ATOM 1440 CG1 ILE B 240 7.559 -1.145 11.229 1.00 0.00 C ATOM 1441 CG2 ILE B 240 5.301 -0.105 11.045 1.00 0.00 C ATOM 1442 CD1 ILE B 240 8.333 0.054 10.739 1.00 0.00 C ATOM 0 H ILE B 240 7.131 -3.419 9.798 1.00 0.00 H new ATOM 0 HA ILE B 240 5.448 -2.747 11.978 1.00 0.00 H new ATOM 0 HB ILE B 240 6.299 -1.193 9.500 1.00 0.00 H new ATOM 0 HG12 ILE B 240 7.444 -1.082 12.311 1.00 0.00 H new ATOM 0 HG13 ILE B 240 8.129 -2.051 11.022 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.785 0.843 10.808 1.00 0.00 H new ATOM 0 HG22 ILE B 240 4.338 -0.158 10.537 1.00 0.00 H new ATOM 0 HG23 ILE B 240 5.147 -0.175 12.122 1.00 0.00 H new ATOM 0 HD11 ILE B 240 9.305 0.086 11.231 1.00 0.00 H new ATOM 0 HD12 ILE B 240 8.475 -0.020 9.661 1.00 0.00 H new ATOM 0 HD13 ILE B 240 7.779 0.964 10.970 1.00 0.00 H new ATOM 1454 N ILE B 241 3.965 -3.411 9.206 1.00 0.00 N ATOM 1455 CA ILE B 241 2.674 -3.519 8.531 1.00 0.00 C ATOM 1456 C ILE B 241 1.732 -4.462 9.281 1.00 0.00 C ATOM 1457 O ILE B 241 0.771 -4.020 9.912 1.00 0.00 O ATOM 1458 CB ILE B 241 2.834 -4.012 7.075 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.978 -3.278 6.375 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.543 -3.803 6.301 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.804 -1.777 6.356 1.00 0.00 C ATOM 0 H ILE B 241 4.710 -3.963 8.780 1.00 0.00 H new ATOM 0 HA ILE B 241 2.243 -2.518 8.519 1.00 0.00 H new ATOM 0 HB ILE B 241 3.067 -5.076 7.104 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.916 -3.522 6.874 1.00 0.00 H new ATOM 0 HG13 ILE B 241 4.059 -3.640 5.350 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.671 -4.155 5.277 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.738 -4.362 6.779 1.00 0.00 H new ATOM 0 HG23 ILE B 241 1.292 -2.742 6.291 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.651 -1.319 5.845 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.883 -1.524 5.831 1.00 0.00 H new ATOM 0 HD13 ILE B 241 3.753 -1.404 7.379 1.00 0.00 H new