USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 GLN : amide:sc= 0 X(o=-2.5,f=-2.9) USER MOD Set 1.2: A 77 MET CE :methyl 130:sc= -2.51 (180deg=-4.64!) USER MOD Single : A 17 THR OG1 : rot 22:sc= 0.122 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 53:sc= 0.327 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.67 F(o=-1.3,f=-0.67) USER MOD Single : A 45 THR OG1 : rot -149:sc= 0.0265 USER MOD Single : A 46 HIS : no HD1:sc= -0.555 K(o=-0.56,f=-2.3) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0347 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 155:sc= 0 (180deg=-0.938) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc=-0.00278 (180deg=-0.114) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= -0.0078 (180deg=-0.535) USER MOD Single : A 90 ASN : amide:sc= -0.623 K(o=-0.62,f=-3.8!) USER MOD Single : A 91 LYS NZ :NH3+ -150:sc= 0.968 (180deg=0.729) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.367 4.371 1.437 1.00 0.00 N ATOM 203 CA THR A 17 4.007 3.201 2.023 1.00 0.00 C ATOM 204 C THR A 17 3.055 2.463 2.958 1.00 0.00 C ATOM 205 O THR A 17 2.118 3.052 3.497 1.00 0.00 O ATOM 206 CB THR A 17 5.278 3.587 2.804 1.00 0.00 C ATOM 207 OG1 THR A 17 6.151 4.356 1.969 1.00 0.00 O ATOM 208 CG2 THR A 17 6.005 2.348 3.302 1.00 0.00 C ATOM 0 HA THR A 17 4.282 2.545 1.197 1.00 0.00 H new ATOM 0 HB THR A 17 4.981 4.184 3.666 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.635 4.761 1.241 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.899 2.646 3.850 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.348 1.781 3.961 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.291 1.728 2.452 1.00 0.00 H new ATOM 216 N VAL A 18 3.302 1.171 3.146 1.00 0.00 N ATOM 217 CA VAL A 18 2.467 0.352 4.018 1.00 0.00 C ATOM 218 C VAL A 18 3.279 -0.228 5.170 1.00 0.00 C ATOM 219 O VAL A 18 4.460 -0.538 5.017 1.00 0.00 O ATOM 220 CB VAL A 18 1.804 -0.800 3.240 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.273 -0.306 1.903 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.787 -1.944 3.044 1.00 0.00 C ATOM 0 H VAL A 18 4.073 0.668 2.707 1.00 0.00 H new ATOM 0 HA VAL A 18 1.691 1.005 4.417 1.00 0.00 H new ATOM 0 HB VAL A 18 0.961 -1.172 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.808 -1.134 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.534 0.477 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.096 0.093 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.302 -2.750 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.651 -1.589 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.113 -2.314 4.016 1.00 0.00 H new ATOM 232 N TYR A 19 2.637 -0.373 6.324 1.00 0.00 N ATOM 233 CA TYR A 19 3.300 -0.914 7.505 1.00 0.00 C ATOM 234 C TYR A 19 3.018 -2.406 7.652 1.00 0.00 C ATOM 235 O TYR A 19 1.937 -2.806 8.086 1.00 0.00 O ATOM 236 CB TYR A 19 2.841 -0.171 8.760 1.00 0.00 C ATOM 237 CG TYR A 19 3.719 -0.418 9.966 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.909 -1.702 10.460 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.359 0.633 10.611 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.710 -1.933 11.562 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.163 0.412 11.712 1.00 0.00 C ATOM 242 CZ TYR A 19 5.335 -0.872 12.184 1.00 0.00 C ATOM 243 OH TYR A 19 6.134 -1.097 13.282 1.00 0.00 O ATOM 0 H TYR A 19 1.658 -0.124 6.467 1.00 0.00 H new ATOM 0 HA TYR A 19 4.374 -0.776 7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.818 0.898 8.551 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.820 -0.471 8.997 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.422 -2.535 9.974 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.225 1.640 10.245 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.846 -2.938 11.934 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.654 1.240 12.201 1.00 0.00 H new ATOM 0 HH TYR A 19 6.500 -0.245 13.600 1.00 0.00 H new ATOM 253 N VAL A 20 3.998 -3.226 7.287 1.00 0.00 N ATOM 254 CA VAL A 20 3.858 -4.675 7.379 1.00 0.00 C ATOM 255 C VAL A 20 4.446 -5.202 8.683 1.00 0.00 C ATOM 256 O VAL A 20 5.647 -5.093 8.924 1.00 0.00 O ATOM 257 CB VAL A 20 4.546 -5.382 6.196 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.288 -6.880 6.247 1.00 0.00 C ATOM 259 CG2 VAL A 20 4.070 -4.795 4.876 1.00 0.00 C ATOM 0 H VAL A 20 4.898 -2.912 6.925 1.00 0.00 H new ATOM 0 HA VAL A 20 2.790 -4.892 7.351 1.00 0.00 H new ATOM 0 HB VAL A 20 5.621 -5.220 6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.782 -7.363 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.682 -7.286 7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.215 -7.066 6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.566 -5.306 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.991 -4.925 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.311 -3.733 4.842 1.00 0.00 H new ATOM 269 N GLY A 21 3.589 -5.775 9.523 1.00 0.00 N ATOM 270 CA GLY A 21 4.042 -6.311 10.793 1.00 0.00 C ATOM 271 C GLY A 21 3.453 -7.676 11.090 1.00 0.00 C ATOM 272 O GLY A 21 2.273 -7.793 11.420 1.00 0.00 O ATOM 0 H GLY A 21 2.590 -5.877 9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.130 -6.382 10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.772 -5.621 11.592 1.00 0.00 H new ATOM 276 N GLY A 22 4.276 -8.714 10.969 1.00 0.00 N ATOM 277 CA GLY A 22 3.811 -10.064 11.228 1.00 0.00 C ATOM 278 C GLY A 22 4.097 -11.007 10.077 1.00 0.00 C ATOM 279 O GLY A 22 3.241 -11.802 9.688 1.00 0.00 O ATOM 0 H GLY A 22 5.256 -8.644 10.696 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.290 -10.443 12.131 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.738 -10.045 11.420 1.00 0.00 H new ATOM 283 N LEU A 23 5.304 -10.917 9.528 1.00 0.00 N ATOM 284 CA LEU A 23 5.701 -11.769 8.411 1.00 0.00 C ATOM 285 C LEU A 23 6.530 -12.953 8.898 1.00 0.00 C ATOM 286 O LEU A 23 7.284 -12.840 9.865 1.00 0.00 O ATOM 287 CB LEU A 23 6.498 -10.960 7.386 1.00 0.00 C ATOM 288 CG LEU A 23 5.790 -9.740 6.797 1.00 0.00 C ATOM 289 CD1 LEU A 23 6.795 -8.805 6.142 1.00 0.00 C ATOM 290 CD2 LEU A 23 4.729 -10.172 5.795 1.00 0.00 C ATOM 0 H LEU A 23 6.024 -10.264 9.837 1.00 0.00 H new ATOM 0 HA LEU A 23 4.797 -12.152 7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.423 -10.626 7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.778 -11.623 6.567 1.00 0.00 H new ATOM 0 HG LEU A 23 5.298 -9.202 7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.273 -7.942 5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.518 -8.470 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.315 -9.332 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.235 -9.291 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.199 -10.733 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.993 -10.802 6.294 1.00 0.00 H new ATOM 302 N ASP A 24 6.387 -14.087 8.221 1.00 0.00 N ATOM 303 CA ASP A 24 7.125 -15.291 8.582 1.00 0.00 C ATOM 304 C ASP A 24 8.566 -15.215 8.086 1.00 0.00 C ATOM 305 O ASP A 24 8.958 -14.245 7.439 1.00 0.00 O ATOM 306 CB ASP A 24 6.438 -16.529 8.002 1.00 0.00 C ATOM 307 CG ASP A 24 6.854 -17.805 8.707 1.00 0.00 C ATOM 308 OD1 ASP A 24 6.573 -17.934 9.917 1.00 0.00 O ATOM 309 OD2 ASP A 24 7.460 -18.676 8.048 1.00 0.00 O ATOM 0 H ASP A 24 5.766 -14.197 7.419 1.00 0.00 H new ATOM 0 HA ASP A 24 7.137 -15.367 9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.357 -16.411 8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.675 -16.609 6.941 1.00 0.00 H new ATOM 314 N GLU A 25 9.348 -16.244 8.396 1.00 0.00 N ATOM 315 CA GLU A 25 10.746 -16.291 7.983 1.00 0.00 C ATOM 316 C GLU A 25 10.863 -16.350 6.463 1.00 0.00 C ATOM 317 O GLU A 25 11.684 -15.654 5.865 1.00 0.00 O ATOM 318 CB GLU A 25 11.444 -17.502 8.606 1.00 0.00 C ATOM 319 CG GLU A 25 10.786 -18.828 8.262 1.00 0.00 C ATOM 320 CD GLU A 25 11.054 -19.899 9.301 1.00 0.00 C ATOM 321 OE1 GLU A 25 12.206 -20.377 9.376 1.00 0.00 O ATOM 322 OE2 GLU A 25 10.114 -20.259 10.039 1.00 0.00 O ATOM 0 H GLU A 25 9.038 -17.055 8.931 1.00 0.00 H new ATOM 0 HA GLU A 25 11.232 -15.380 8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.482 -17.524 8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.460 -17.384 9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.710 -18.681 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.149 -19.169 7.292 1.00 0.00 H new ATOM 329 N LYS A 26 10.036 -17.185 5.844 1.00 0.00 N ATOM 330 CA LYS A 26 10.044 -17.335 4.393 1.00 0.00 C ATOM 331 C LYS A 26 9.976 -15.976 3.705 1.00 0.00 C ATOM 332 O LYS A 26 10.763 -15.686 2.803 1.00 0.00 O ATOM 333 CB LYS A 26 8.868 -18.205 3.944 1.00 0.00 C ATOM 334 CG LYS A 26 9.120 -19.695 4.097 1.00 0.00 C ATOM 335 CD LYS A 26 8.593 -20.217 5.424 1.00 0.00 C ATOM 336 CE LYS A 26 7.155 -20.698 5.302 1.00 0.00 C ATOM 337 NZ LYS A 26 7.082 -22.145 4.960 1.00 0.00 N ATOM 0 H LYS A 26 9.351 -17.769 6.324 1.00 0.00 H new ATOM 0 HA LYS A 26 10.977 -17.820 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.985 -17.933 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.645 -17.988 2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.641 -20.232 3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.189 -19.893 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.224 -21.036 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.652 -19.429 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.631 -20.520 6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.641 -20.117 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.086 -22.434 4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.559 -22.311 4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.550 -22.702 5.704 1.00 0.00 H new ATOM 351 N VAL A 27 9.032 -15.145 4.137 1.00 0.00 N ATOM 352 CA VAL A 27 8.864 -13.815 3.563 1.00 0.00 C ATOM 353 C VAL A 27 10.205 -13.226 3.139 1.00 0.00 C ATOM 354 O VAL A 27 11.200 -13.343 3.853 1.00 0.00 O ATOM 355 CB VAL A 27 8.187 -12.856 4.560 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.103 -11.453 3.978 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.806 -13.369 4.939 1.00 0.00 C ATOM 0 H VAL A 27 8.372 -15.369 4.882 1.00 0.00 H new ATOM 0 HA VAL A 27 8.226 -13.926 2.686 1.00 0.00 H new ATOM 0 HB VAL A 27 8.794 -12.812 5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.622 -10.789 4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.107 -11.088 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.520 -11.475 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.342 -12.679 5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.188 -13.444 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.897 -14.352 5.400 1.00 0.00 H new ATOM 367 N SER A 28 10.223 -12.592 1.970 1.00 0.00 N ATOM 368 CA SER A 28 11.442 -11.987 1.448 1.00 0.00 C ATOM 369 C SER A 28 11.164 -10.590 0.901 1.00 0.00 C ATOM 370 O SER A 28 10.011 -10.194 0.739 1.00 0.00 O ATOM 371 CB SER A 28 12.044 -12.867 0.350 1.00 0.00 C ATOM 372 OG SER A 28 12.457 -14.119 0.869 1.00 0.00 O ATOM 0 H SER A 28 9.407 -12.484 1.367 1.00 0.00 H new ATOM 0 HA SER A 28 12.156 -11.902 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.309 -13.022 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.896 -12.358 -0.102 1.00 0.00 H new ATOM 0 HG SER A 28 11.711 -14.537 1.348 1.00 0.00 H new ATOM 378 N GLU A 29 12.231 -9.849 0.618 1.00 0.00 N ATOM 379 CA GLU A 29 12.102 -8.496 0.090 1.00 0.00 C ATOM 380 C GLU A 29 11.415 -8.507 -1.272 1.00 0.00 C ATOM 381 O GLU A 29 10.397 -7.848 -1.487 1.00 0.00 O ATOM 382 CB GLU A 29 13.479 -7.837 -0.027 1.00 0.00 C ATOM 383 CG GLU A 29 13.871 -7.027 1.197 1.00 0.00 C ATOM 384 CD GLU A 29 15.368 -7.019 1.436 1.00 0.00 C ATOM 385 OE1 GLU A 29 16.051 -6.127 0.892 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.857 -7.905 2.168 1.00 0.00 O ATOM 0 H GLU A 29 13.193 -10.163 0.745 1.00 0.00 H new ATOM 0 HA GLU A 29 11.489 -7.920 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.229 -8.609 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.488 -7.186 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.520 -6.002 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.369 -7.435 2.074 1.00 0.00 H new ATOM 393 N PRO A 30 11.982 -9.274 -2.215 1.00 0.00 N ATOM 394 CA PRO A 30 11.441 -9.389 -3.573 1.00 0.00 C ATOM 395 C PRO A 30 10.122 -10.153 -3.608 1.00 0.00 C ATOM 396 O PRO A 30 9.563 -10.399 -4.678 1.00 0.00 O ATOM 397 CB PRO A 30 12.528 -10.164 -4.323 1.00 0.00 C ATOM 398 CG PRO A 30 13.238 -10.939 -3.267 1.00 0.00 C ATOM 399 CD PRO A 30 13.196 -10.086 -2.029 1.00 0.00 C ATOM 0 HA PRO A 30 11.217 -8.414 -4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.096 -10.824 -5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.208 -9.489 -4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.753 -11.900 -3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.266 -11.149 -3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.139 -10.692 -1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.086 -9.463 -1.940 1.00 0.00 H new ATOM 407 N LEU A 31 9.628 -10.526 -2.432 1.00 0.00 N ATOM 408 CA LEU A 31 8.373 -11.262 -2.328 1.00 0.00 C ATOM 409 C LEU A 31 7.192 -10.306 -2.190 1.00 0.00 C ATOM 410 O LEU A 31 6.201 -10.419 -2.913 1.00 0.00 O ATOM 411 CB LEU A 31 8.415 -12.215 -1.132 1.00 0.00 C ATOM 412 CG LEU A 31 7.115 -12.957 -0.819 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.851 -14.032 -1.861 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.171 -13.564 0.575 1.00 0.00 C ATOM 0 H LEU A 31 10.078 -10.331 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 31 8.243 -11.842 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.198 -12.953 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.707 -11.646 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 31 6.293 -12.242 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.922 -14.550 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.767 -13.572 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.674 -14.746 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.238 -14.088 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.002 -14.267 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.313 -12.773 1.311 1.00 0.00 H new ATOM 426 N LEU A 32 7.304 -9.365 -1.260 1.00 0.00 N ATOM 427 CA LEU A 32 6.246 -8.388 -1.028 1.00 0.00 C ATOM 428 C LEU A 32 5.965 -7.580 -2.291 1.00 0.00 C ATOM 429 O LEU A 32 4.810 -7.334 -2.638 1.00 0.00 O ATOM 430 CB LEU A 32 6.634 -7.449 0.116 1.00 0.00 C ATOM 431 CG LEU A 32 7.241 -8.112 1.352 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.653 -7.063 2.373 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.258 -9.098 1.966 1.00 0.00 C ATOM 0 H LEU A 32 8.117 -9.257 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 32 5.340 -8.928 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.347 -6.718 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.746 -6.897 0.424 1.00 0.00 H new ATOM 0 HG LEU A 32 8.132 -8.661 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.083 -7.554 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.393 -6.396 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.779 -6.486 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.707 -9.560 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.349 -8.572 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.012 -9.869 1.236 1.00 0.00 H new ATOM 445 N TRP A 33 7.028 -7.173 -2.975 1.00 0.00 N ATOM 446 CA TRP A 33 6.895 -6.395 -4.202 1.00 0.00 C ATOM 447 C TRP A 33 5.820 -6.986 -5.108 1.00 0.00 C ATOM 448 O TRP A 33 4.758 -6.393 -5.293 1.00 0.00 O ATOM 449 CB TRP A 33 8.232 -6.342 -4.944 1.00 0.00 C ATOM 450 CG TRP A 33 8.308 -5.236 -5.952 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.331 -4.858 -6.829 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.421 -4.367 -6.189 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.770 -3.806 -7.597 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.048 -3.486 -7.223 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.694 -4.247 -5.628 1.00 0.00 C ATOM 456 CZ2 TRP A 33 9.905 -2.500 -7.705 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.544 -3.268 -6.108 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.147 -2.405 -7.137 1.00 0.00 C ATOM 0 H TRP A 33 7.991 -7.368 -2.701 1.00 0.00 H new ATOM 0 HA TRP A 33 6.598 -5.382 -3.930 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.037 -6.219 -4.219 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.398 -7.295 -5.447 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.357 -5.318 -6.907 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.231 -3.339 -8.327 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.009 -4.907 -4.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.601 -1.834 -8.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.531 -3.167 -5.682 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.834 -1.650 -7.489 1.00 0.00 H new ATOM 469 N GLU A 34 6.103 -8.158 -5.669 1.00 0.00 N ATOM 470 CA GLU A 34 5.159 -8.827 -6.556 1.00 0.00 C ATOM 471 C GLU A 34 3.887 -9.212 -5.806 1.00 0.00 C ATOM 472 O GLU A 34 2.782 -9.105 -6.339 1.00 0.00 O ATOM 473 CB GLU A 34 5.799 -10.074 -7.171 1.00 0.00 C ATOM 474 CG GLU A 34 4.873 -10.836 -8.104 1.00 0.00 C ATOM 475 CD GLU A 34 5.617 -11.807 -8.999 1.00 0.00 C ATOM 476 OE1 GLU A 34 6.610 -11.390 -9.632 1.00 0.00 O ATOM 477 OE2 GLU A 34 5.206 -12.985 -9.067 1.00 0.00 O ATOM 0 H GLU A 34 6.977 -8.663 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 34 4.894 -8.133 -7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.693 -9.780 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.122 -10.739 -6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.138 -11.382 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.322 -10.127 -8.722 1.00 0.00 H new ATOM 484 N LEU A 35 4.051 -9.660 -4.566 1.00 0.00 N ATOM 485 CA LEU A 35 2.917 -10.062 -3.742 1.00 0.00 C ATOM 486 C LEU A 35 1.974 -8.887 -3.503 1.00 0.00 C ATOM 487 O LEU A 35 0.784 -9.075 -3.249 1.00 0.00 O ATOM 488 CB LEU A 35 3.406 -10.618 -2.403 1.00 0.00 C ATOM 489 CG LEU A 35 2.349 -10.755 -1.307 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.354 -11.850 -1.659 1.00 0.00 C ATOM 491 CD2 LEU A 35 3.007 -11.041 0.035 1.00 0.00 C ATOM 0 H LEU A 35 4.958 -9.754 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 35 2.371 -10.841 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.847 -11.599 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.202 -9.972 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 35 1.808 -9.812 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.609 -11.933 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.859 -11.604 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.880 -12.799 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.240 -11.135 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.574 -11.970 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.679 -10.223 0.292 1.00 0.00 H new ATOM 503 N PHE A 36 2.513 -7.676 -3.589 1.00 0.00 N ATOM 504 CA PHE A 36 1.720 -6.470 -3.383 1.00 0.00 C ATOM 505 C PHE A 36 1.207 -5.923 -4.713 1.00 0.00 C ATOM 506 O PHE A 36 0.153 -5.289 -4.771 1.00 0.00 O ATOM 507 CB PHE A 36 2.550 -5.403 -2.667 1.00 0.00 C ATOM 508 CG PHE A 36 2.433 -5.458 -1.170 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.888 -6.561 -0.466 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.869 -4.405 -0.467 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.781 -6.614 0.910 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.760 -4.453 0.910 1.00 0.00 C ATOM 513 CZ PHE A 36 2.217 -5.558 1.600 1.00 0.00 C ATOM 0 H PHE A 36 3.496 -7.503 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 36 0.863 -6.731 -2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.597 -5.520 -2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.236 -4.418 -3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.331 -7.389 -0.999 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.511 -3.537 -1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.138 -7.481 1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.317 -3.626 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.134 -5.597 2.676 1.00 0.00 H new ATOM 523 N LEU A 37 1.961 -6.172 -5.778 1.00 0.00 N ATOM 524 CA LEU A 37 1.584 -5.705 -7.108 1.00 0.00 C ATOM 525 C LEU A 37 0.082 -5.846 -7.329 1.00 0.00 C ATOM 526 O LEU A 37 -0.503 -5.137 -8.148 1.00 0.00 O ATOM 527 CB LEU A 37 2.345 -6.489 -8.179 1.00 0.00 C ATOM 528 CG LEU A 37 3.779 -6.034 -8.452 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.370 -6.806 -9.621 1.00 0.00 C ATOM 530 CD2 LEU A 37 3.822 -4.537 -8.722 1.00 0.00 C ATOM 0 H LEU A 37 2.837 -6.694 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 37 1.846 -4.650 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.368 -7.538 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.783 -6.431 -9.111 1.00 0.00 H new ATOM 0 HG LEU A 37 4.380 -6.240 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.391 -6.469 -9.801 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.375 -7.871 -9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.768 -6.632 -10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.850 -4.231 -8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.206 -4.306 -9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.440 -4.000 -7.854 1.00 0.00 H new ATOM 542 N GLN A 38 -0.537 -6.763 -6.592 1.00 0.00 N ATOM 543 CA GLN A 38 -1.971 -6.995 -6.708 1.00 0.00 C ATOM 544 C GLN A 38 -2.751 -5.705 -6.477 1.00 0.00 C ATOM 545 O GLN A 38 -3.652 -5.366 -7.245 1.00 0.00 O ATOM 546 CB GLN A 38 -2.419 -8.061 -5.707 1.00 0.00 C ATOM 547 CG GLN A 38 -1.475 -9.250 -5.621 1.00 0.00 C ATOM 548 CD GLN A 38 -2.192 -10.541 -5.279 1.00 0.00 C ATOM 549 OE1 GLN A 38 -2.787 -11.182 -6.146 1.00 0.00 O ATOM 550 NE2 GLN A 38 -2.138 -10.930 -4.011 1.00 0.00 N ATOM 0 H GLN A 38 -0.067 -7.357 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.176 -7.347 -7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.508 -7.606 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.411 -8.415 -5.986 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.957 -9.368 -6.573 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.714 -9.051 -4.867 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.633 -10.367 -3.326 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.601 -11.792 -3.722 1.00 0.00 H new ATOM 559 N ALA A 39 -2.400 -4.989 -5.414 1.00 0.00 N ATOM 560 CA ALA A 39 -3.066 -3.735 -5.083 1.00 0.00 C ATOM 561 C ALA A 39 -2.676 -2.631 -6.061 1.00 0.00 C ATOM 562 O ALA A 39 -3.534 -2.018 -6.694 1.00 0.00 O ATOM 563 CB ALA A 39 -2.733 -3.321 -3.657 1.00 0.00 C ATOM 0 H ALA A 39 -1.658 -5.256 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.142 -3.892 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.237 -2.383 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.068 -4.095 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.656 -3.188 -3.559 1.00 0.00 H new ATOM 569 N GLY A 40 -1.375 -2.383 -6.178 1.00 0.00 N ATOM 570 CA GLY A 40 -0.895 -1.353 -7.080 1.00 0.00 C ATOM 571 C GLY A 40 0.528 -1.602 -7.540 1.00 0.00 C ATOM 572 O GLY A 40 1.172 -2.571 -7.138 1.00 0.00 O ATOM 0 H GLY A 40 -0.645 -2.877 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.551 -1.301 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.948 -0.385 -6.582 1.00 0.00 H new ATOM 576 N PRO A 41 1.039 -0.713 -8.405 1.00 0.00 N ATOM 577 CA PRO A 41 2.399 -0.820 -8.940 1.00 0.00 C ATOM 578 C PRO A 41 3.462 -0.548 -7.881 1.00 0.00 C ATOM 579 O PRO A 41 3.928 0.582 -7.731 1.00 0.00 O ATOM 580 CB PRO A 41 2.439 0.257 -10.027 1.00 0.00 C ATOM 581 CG PRO A 41 1.411 1.252 -9.612 1.00 0.00 C ATOM 582 CD PRO A 41 0.327 0.466 -8.926 1.00 0.00 C ATOM 0 HA PRO A 41 2.614 -1.823 -9.307 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.426 0.713 -10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.212 -0.161 -11.008 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.838 1.997 -8.940 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.017 1.789 -10.475 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.140 1.040 -8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.465 0.183 -9.620 1.00 0.00 H new ATOM 590 N VAL A 42 3.841 -1.590 -7.148 1.00 0.00 N ATOM 591 CA VAL A 42 4.851 -1.463 -6.103 1.00 0.00 C ATOM 592 C VAL A 42 6.134 -0.848 -6.651 1.00 0.00 C ATOM 593 O VAL A 42 6.673 -1.304 -7.659 1.00 0.00 O ATOM 594 CB VAL A 42 5.178 -2.828 -5.470 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.314 -2.694 -4.467 1.00 0.00 C ATOM 596 CG2 VAL A 42 3.941 -3.420 -4.811 1.00 0.00 C ATOM 0 H VAL A 42 3.464 -2.531 -7.258 1.00 0.00 H new ATOM 0 HA VAL A 42 4.435 -0.807 -5.338 1.00 0.00 H new ATOM 0 HB VAL A 42 5.501 -3.507 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.531 -3.669 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.203 -2.317 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.023 -2.000 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.191 -4.385 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.585 -2.745 -4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.160 -3.555 -5.559 1.00 0.00 H new ATOM 606 N VAL A 43 6.620 0.191 -5.978 1.00 0.00 N ATOM 607 CA VAL A 43 7.841 0.868 -6.396 1.00 0.00 C ATOM 608 C VAL A 43 9.077 0.150 -5.865 1.00 0.00 C ATOM 609 O VAL A 43 9.984 -0.189 -6.624 1.00 0.00 O ATOM 610 CB VAL A 43 7.865 2.331 -5.914 1.00 0.00 C ATOM 611 CG1 VAL A 43 8.915 3.126 -6.674 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.490 2.964 -6.068 1.00 0.00 C ATOM 0 H VAL A 43 6.186 0.581 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 43 7.854 0.852 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 43 8.130 2.343 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.917 4.157 -6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.897 2.683 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.684 3.109 -7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.524 3.997 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.194 2.941 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.765 2.407 -5.475 1.00 0.00 H new ATOM 622 N ASN A 44 9.105 -0.080 -4.557 1.00 0.00 N ATOM 623 CA ASN A 44 10.230 -0.758 -3.923 1.00 0.00 C ATOM 624 C ASN A 44 9.823 -1.343 -2.574 1.00 0.00 C ATOM 625 O ASN A 44 8.861 -0.890 -1.953 1.00 0.00 O ATOM 626 CB ASN A 44 11.399 0.211 -3.740 1.00 0.00 C ATOM 627 CG ASN A 44 12.383 -0.262 -2.688 1.00 0.00 C ATOM 628 OD1 ASN A 44 12.120 0.085 -1.433 1.00 0.00 O flip ATOM 629 ND2 ASN A 44 13.368 -0.932 -2.999 1.00 0.00 N flip ATOM 0 H ASN A 44 8.361 0.193 -3.915 1.00 0.00 H new ATOM 0 HA ASN A 44 10.543 -1.575 -4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.918 0.333 -4.691 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.014 1.191 -3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.531 -1.176 -3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.021 -1.243 -2.280 1.00 0.00 H new ATOM 636 N THR A 45 10.563 -2.352 -2.125 1.00 0.00 N ATOM 637 CA THR A 45 10.280 -2.999 -0.850 1.00 0.00 C ATOM 638 C THR A 45 11.319 -2.623 0.200 1.00 0.00 C ATOM 639 O THR A 45 12.471 -2.335 -0.127 1.00 0.00 O ATOM 640 CB THR A 45 10.244 -4.532 -0.994 1.00 0.00 C ATOM 641 OG1 THR A 45 11.462 -4.998 -1.584 1.00 0.00 O ATOM 642 CG2 THR A 45 9.062 -4.967 -1.848 1.00 0.00 C ATOM 0 H THR A 45 11.363 -2.739 -2.626 1.00 0.00 H new ATOM 0 HA THR A 45 9.299 -2.648 -0.529 1.00 0.00 H new ATOM 0 HB THR A 45 10.134 -4.966 -0.000 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.283 -5.805 -2.110 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.057 -6.053 -1.936 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.134 -4.636 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.147 -4.523 -2.840 1.00 0.00 H new ATOM 650 N HIS A 46 10.906 -2.629 1.463 1.00 0.00 N ATOM 651 CA HIS A 46 11.803 -2.290 2.563 1.00 0.00 C ATOM 652 C HIS A 46 11.663 -3.289 3.706 1.00 0.00 C ATOM 653 O HIS A 46 10.564 -3.518 4.213 1.00 0.00 O ATOM 654 CB HIS A 46 11.513 -0.876 3.067 1.00 0.00 C ATOM 655 CG HIS A 46 12.604 -0.310 3.924 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.167 -0.999 4.977 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.236 0.886 3.877 1.00 0.00 C ATOM 658 CE1 HIS A 46 14.097 -0.251 5.542 1.00 0.00 C ATOM 659 NE2 HIS A 46 14.160 0.898 4.893 1.00 0.00 N ATOM 0 H HIS A 46 9.956 -2.865 1.751 1.00 0.00 H new ATOM 0 HA HIS A 46 12.827 -2.333 2.191 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.357 -0.219 2.211 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.583 -0.885 3.636 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.049 1.682 3.172 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.703 -0.531 6.391 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.792 1.668 5.111 1.00 0.00 H new ATOM 667 N MET A 47 12.782 -3.883 4.108 1.00 0.00 N ATOM 668 CA MET A 47 12.783 -4.858 5.192 1.00 0.00 C ATOM 669 C MET A 47 14.023 -4.697 6.066 1.00 0.00 C ATOM 670 O MET A 47 15.152 -4.927 5.632 1.00 0.00 O ATOM 671 CB MET A 47 12.722 -6.279 4.629 1.00 0.00 C ATOM 672 CG MET A 47 11.312 -6.744 4.303 1.00 0.00 C ATOM 673 SD MET A 47 11.256 -8.460 3.756 1.00 0.00 S ATOM 674 CE MET A 47 11.206 -9.316 5.328 1.00 0.00 C ATOM 0 H MET A 47 13.700 -3.706 3.699 1.00 0.00 H new ATOM 0 HA MET A 47 11.901 -4.681 5.807 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.330 -6.330 3.726 1.00 0.00 H new ATOM 0 HB3 MET A 47 13.165 -6.966 5.350 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.682 -6.627 5.185 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.894 -6.105 3.525 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.169 -10.392 5.156 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.098 -9.071 5.904 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.320 -9.007 5.883 1.00 0.00 H new ATOM 684 N PRO A 48 13.811 -4.294 7.328 1.00 0.00 N ATOM 685 CA PRO A 48 14.900 -4.094 8.289 1.00 0.00 C ATOM 686 C PRO A 48 15.546 -5.408 8.714 1.00 0.00 C ATOM 687 O PRO A 48 14.862 -6.341 9.134 1.00 0.00 O ATOM 688 CB PRO A 48 14.204 -3.430 9.480 1.00 0.00 C ATOM 689 CG PRO A 48 12.784 -3.869 9.382 1.00 0.00 C ATOM 690 CD PRO A 48 12.492 -4.002 7.913 1.00 0.00 C ATOM 0 HA PRO A 48 15.712 -3.501 7.868 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.651 -3.742 10.424 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.287 -2.344 9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.632 -4.817 9.897 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.118 -3.143 9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.779 -4.803 7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.065 -3.087 7.504 1.00 0.00 H new ATOM 851 N TYR A 59 8.758 -8.307 9.993 1.00 0.00 N ATOM 852 CA TYR A 59 8.003 -7.118 9.616 1.00 0.00 C ATOM 853 C TYR A 59 8.737 -6.326 8.537 1.00 0.00 C ATOM 854 O TYR A 59 9.963 -6.363 8.451 1.00 0.00 O ATOM 855 CB TYR A 59 7.761 -6.232 10.839 1.00 0.00 C ATOM 856 CG TYR A 59 8.954 -5.383 11.217 1.00 0.00 C ATOM 857 CD1 TYR A 59 10.087 -5.954 11.782 1.00 0.00 C ATOM 858 CD2 TYR A 59 8.948 -4.009 11.007 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.179 -5.182 12.130 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.036 -3.230 11.351 1.00 0.00 C ATOM 861 CZ TYR A 59 11.148 -3.821 11.912 1.00 0.00 C ATOM 862 OH TYR A 59 12.234 -3.049 12.256 1.00 0.00 O ATOM 0 HA TYR A 59 7.043 -7.441 9.214 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.910 -5.580 10.642 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.491 -6.862 11.686 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.115 -7.020 11.952 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.079 -3.543 10.568 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.051 -5.642 12.570 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.015 -2.164 11.181 1.00 0.00 H new ATOM 0 HH TYR A 59 12.052 -2.112 12.036 1.00 0.00 H new ATOM 872 N GLY A 60 7.975 -5.610 7.716 1.00 0.00 N ATOM 873 CA GLY A 60 8.568 -4.818 6.655 1.00 0.00 C ATOM 874 C GLY A 60 7.642 -3.726 6.159 1.00 0.00 C ATOM 875 O GLY A 60 6.712 -3.325 6.859 1.00 0.00 O ATOM 0 H GLY A 60 6.957 -5.564 7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.494 -4.369 7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.833 -5.471 5.823 1.00 0.00 H new ATOM 879 N PHE A 61 7.897 -3.241 4.948 1.00 0.00 N ATOM 880 CA PHE A 61 7.080 -2.185 4.360 1.00 0.00 C ATOM 881 C PHE A 61 7.109 -2.261 2.836 1.00 0.00 C ATOM 882 O PHE A 61 7.955 -2.938 2.253 1.00 0.00 O ATOM 883 CB PHE A 61 7.572 -0.812 4.823 1.00 0.00 C ATOM 884 CG PHE A 61 7.774 -0.718 6.308 1.00 0.00 C ATOM 885 CD1 PHE A 61 8.922 -1.222 6.898 1.00 0.00 C ATOM 886 CD2 PHE A 61 6.816 -0.125 7.115 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.112 -1.136 8.265 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.000 -0.037 8.482 1.00 0.00 C ATOM 889 CZ PHE A 61 8.149 -0.544 9.058 1.00 0.00 C ATOM 0 H PHE A 61 8.662 -3.562 4.355 1.00 0.00 H new ATOM 0 HA PHE A 61 6.052 -2.326 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.512 -0.584 4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.853 -0.054 4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.678 -1.688 6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.916 0.273 6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.012 -1.531 8.712 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.246 0.428 9.100 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.294 -0.477 10.126 1.00 0.00 H new ATOM 899 N VAL A 62 6.176 -1.561 2.197 1.00 0.00 N ATOM 900 CA VAL A 62 6.094 -1.547 0.742 1.00 0.00 C ATOM 901 C VAL A 62 5.678 -0.173 0.228 1.00 0.00 C ATOM 902 O VAL A 62 4.529 0.236 0.383 1.00 0.00 O ATOM 903 CB VAL A 62 5.094 -2.600 0.227 1.00 0.00 C ATOM 904 CG1 VAL A 62 5.042 -2.587 -1.294 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.463 -3.982 0.744 1.00 0.00 C ATOM 0 H VAL A 62 5.467 -0.997 2.665 1.00 0.00 H new ATOM 0 HA VAL A 62 7.089 -1.786 0.366 1.00 0.00 H new ATOM 0 HB VAL A 62 4.102 -2.349 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.331 -3.337 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.727 -1.602 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.031 -2.813 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.746 -4.713 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.463 -4.245 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.445 -3.980 1.834 1.00 0.00 H new ATOM 915 N GLU A 63 6.623 0.533 -0.386 1.00 0.00 N ATOM 916 CA GLU A 63 6.354 1.862 -0.923 1.00 0.00 C ATOM 917 C GLU A 63 5.752 1.772 -2.322 1.00 0.00 C ATOM 918 O GLU A 63 6.422 1.370 -3.273 1.00 0.00 O ATOM 919 CB GLU A 63 7.640 2.691 -0.961 1.00 0.00 C ATOM 920 CG GLU A 63 7.441 4.099 -1.496 1.00 0.00 C ATOM 921 CD GLU A 63 8.752 4.806 -1.778 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.290 5.448 -0.852 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.240 4.718 -2.924 1.00 0.00 O ATOM 0 H GLU A 63 7.580 0.207 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 63 5.634 2.352 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.055 2.749 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.376 2.177 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.851 4.056 -2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.867 4.680 -0.774 1.00 0.00 H new ATOM 930 N PHE A 64 4.483 2.149 -2.439 1.00 0.00 N ATOM 931 CA PHE A 64 3.789 2.109 -3.721 1.00 0.00 C ATOM 932 C PHE A 64 4.109 3.349 -4.551 1.00 0.00 C ATOM 933 O PHE A 64 4.735 4.292 -4.064 1.00 0.00 O ATOM 934 CB PHE A 64 2.278 2.003 -3.505 1.00 0.00 C ATOM 935 CG PHE A 64 1.803 0.596 -3.276 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.604 -0.264 -4.344 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.555 0.135 -1.993 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.168 -1.559 -4.137 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.119 -1.159 -1.780 1.00 0.00 C ATOM 940 CZ PHE A 64 0.924 -2.007 -2.853 1.00 0.00 C ATOM 0 H PHE A 64 3.914 2.486 -1.662 1.00 0.00 H new ATOM 0 HA PHE A 64 4.134 1.229 -4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.997 2.617 -2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.765 2.414 -4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.792 0.082 -5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.704 0.794 -1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.018 -2.220 -4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.931 -1.507 -0.775 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.582 -3.018 -2.689 1.00 0.00 H new ATOM 950 N LEU A 65 3.675 3.341 -5.807 1.00 0.00 N ATOM 951 CA LEU A 65 3.915 4.465 -6.706 1.00 0.00 C ATOM 952 C LEU A 65 3.088 5.678 -6.294 1.00 0.00 C ATOM 953 O LEU A 65 3.592 6.800 -6.251 1.00 0.00 O ATOM 954 CB LEU A 65 3.582 4.071 -8.146 1.00 0.00 C ATOM 955 CG LEU A 65 4.029 5.051 -9.231 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.545 5.053 -9.355 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.383 4.702 -10.564 1.00 0.00 C ATOM 0 H LEU A 65 3.156 2.569 -6.226 1.00 0.00 H new ATOM 0 HA LEU A 65 4.970 4.730 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.037 3.102 -8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.503 3.940 -8.225 1.00 0.00 H new ATOM 0 HG LEU A 65 3.707 6.052 -8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.846 5.756 -10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.987 5.351 -8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.890 4.053 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.713 5.410 -11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.675 3.693 -10.857 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.298 4.752 -10.467 1.00 0.00 H new ATOM 969 N SER A 66 1.815 5.445 -5.991 1.00 0.00 N ATOM 970 CA SER A 66 0.917 6.519 -5.583 1.00 0.00 C ATOM 971 C SER A 66 0.231 6.183 -4.263 1.00 0.00 C ATOM 972 O SER A 66 -0.190 5.048 -4.042 1.00 0.00 O ATOM 973 CB SER A 66 -0.134 6.772 -6.666 1.00 0.00 C ATOM 974 OG SER A 66 0.471 6.920 -7.939 1.00 0.00 O ATOM 0 H SER A 66 1.382 4.522 -6.020 1.00 0.00 H new ATOM 0 HA SER A 66 1.511 7.422 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.842 5.944 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.702 7.670 -6.423 1.00 0.00 H new ATOM 0 HG SER A 66 -0.222 7.079 -8.614 1.00 0.00 H new ATOM 980 N GLU A 67 0.124 7.178 -3.388 1.00 0.00 N ATOM 981 CA GLU A 67 -0.509 6.988 -2.089 1.00 0.00 C ATOM 982 C GLU A 67 -1.791 6.171 -2.222 1.00 0.00 C ATOM 983 O GLU A 67 -2.106 5.348 -1.363 1.00 0.00 O ATOM 984 CB GLU A 67 -0.819 8.341 -1.444 1.00 0.00 C ATOM 985 CG GLU A 67 -1.009 8.269 0.061 1.00 0.00 C ATOM 986 CD GLU A 67 -2.339 7.655 0.453 1.00 0.00 C ATOM 987 OE1 GLU A 67 -3.292 7.742 -0.349 1.00 0.00 O ATOM 988 OE2 GLU A 67 -2.425 7.086 1.562 1.00 0.00 O ATOM 0 H GLU A 67 0.468 8.124 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 67 0.186 6.441 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.008 9.034 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.722 8.751 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.200 7.683 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.939 9.273 0.481 1.00 0.00 H new ATOM 995 N GLU A 68 -2.524 6.405 -3.306 1.00 0.00 N ATOM 996 CA GLU A 68 -3.772 5.691 -3.551 1.00 0.00 C ATOM 997 C GLU A 68 -3.547 4.182 -3.543 1.00 0.00 C ATOM 998 O GLU A 68 -4.255 3.442 -2.859 1.00 0.00 O ATOM 999 CB GLU A 68 -4.376 6.120 -4.890 1.00 0.00 C ATOM 1000 CG GLU A 68 -4.300 7.617 -5.141 1.00 0.00 C ATOM 1001 CD GLU A 68 -3.002 8.032 -5.805 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -2.847 7.779 -7.017 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -2.140 8.612 -5.110 1.00 0.00 O ATOM 0 H GLU A 68 -2.276 7.082 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.467 5.941 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.859 5.598 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.419 5.807 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.138 7.919 -5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.405 8.146 -4.194 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.557 3.733 -4.307 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.237 2.313 -4.388 1.00 0.00 C ATOM 1012 C ASP A 69 -2.050 1.718 -2.995 1.00 0.00 C ATOM 1013 O ASP A 69 -2.474 0.594 -2.728 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.973 2.100 -5.221 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.147 2.541 -6.661 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.191 2.208 -7.261 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.240 3.218 -7.189 1.00 0.00 O ATOM 0 H ASP A 69 -1.962 4.332 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.071 1.805 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.148 2.653 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.700 1.045 -5.198 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.411 2.480 -2.113 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.169 2.028 -0.749 1.00 0.00 C ATOM 1024 C ALA A 70 -2.472 1.642 -0.058 1.00 0.00 C ATOM 1025 O ALA A 70 -2.661 0.490 0.333 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.449 3.109 0.045 1.00 0.00 C ATOM 0 H ALA A 70 -1.052 3.412 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.536 1.142 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.275 2.758 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.506 3.334 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.062 4.010 0.072 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.368 2.611 0.089 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.655 2.372 0.732 1.00 0.00 C ATOM 1034 C ASP A 71 -5.313 1.112 0.179 1.00 0.00 C ATOM 1035 O ASP A 71 -5.838 0.292 0.933 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.580 3.574 0.534 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.723 3.595 1.530 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -7.644 2.763 1.393 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -6.696 4.444 2.446 1.00 0.00 O ATOM 0 H ASP A 71 -3.227 3.570 -0.228 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.479 2.231 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.002 4.493 0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.984 3.555 -0.478 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.282 0.965 -1.141 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.879 -0.193 -1.795 1.00 0.00 C ATOM 1046 C TYR A 72 -5.235 -1.487 -1.306 1.00 0.00 C ATOM 1047 O TYR A 72 -5.903 -2.509 -1.160 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.732 -0.079 -3.313 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.639 -1.014 -4.081 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.481 -2.392 -3.997 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.653 -0.520 -4.892 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -7.306 -3.250 -4.697 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.484 -1.370 -5.595 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.307 -2.734 -5.494 1.00 0.00 C ATOM 1055 OH TYR A 72 -9.132 -3.585 -6.194 1.00 0.00 O ATOM 0 H TYR A 72 -4.850 1.633 -1.779 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.938 -0.217 -1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.943 0.947 -3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.697 -0.285 -3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.699 -2.799 -3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.794 0.548 -4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.168 -4.319 -4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.268 -0.969 -6.220 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.784 -3.062 -6.705 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.931 -1.433 -1.055 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.195 -2.598 -0.580 1.00 0.00 C ATOM 1067 C ALA A 73 -3.442 -2.835 0.906 1.00 0.00 C ATOM 1068 O ALA A 73 -3.317 -3.959 1.394 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.707 -2.429 -0.849 1.00 0.00 C ATOM 0 H ALA A 73 -3.362 -0.594 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.555 -3.471 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.170 -3.307 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.541 -2.317 -1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.342 -1.542 -0.331 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.793 -1.770 1.620 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.058 -1.864 3.050 1.00 0.00 C ATOM 1077 C ILE A 74 -5.417 -2.501 3.317 1.00 0.00 C ATOM 1078 O ILE A 74 -5.709 -2.921 4.437 1.00 0.00 O ATOM 1079 CB ILE A 74 -4.011 -0.479 3.723 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.657 0.188 3.473 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.278 -0.606 5.215 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.680 1.689 3.660 1.00 0.00 C ATOM 0 H ILE A 74 -3.900 -0.833 1.231 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.276 -2.493 3.475 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.789 0.147 3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.918 -0.243 4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.331 -0.039 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.241 0.381 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.264 -1.044 5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.520 -1.246 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.687 2.095 3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.394 2.131 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.975 1.924 4.683 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.245 -2.572 2.280 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.573 -3.161 2.400 1.00 0.00 C ATOM 1096 C LYS A 75 -7.546 -4.642 2.038 1.00 0.00 C ATOM 1097 O LYS A 75 -8.312 -5.437 2.583 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.564 -2.422 1.497 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.685 -3.023 0.107 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.240 -2.019 -0.888 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.753 -1.904 -0.779 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.448 -2.967 -1.557 1.00 0.00 N ATOM 0 H LYS A 75 -6.019 -2.229 1.346 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.894 -3.065 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.546 -2.423 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.255 -1.381 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.706 -3.366 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.334 -3.898 0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.786 -1.043 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.969 -2.320 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.048 -1.969 0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.070 -0.925 -1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.477 -2.854 -1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.187 -2.889 -2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.166 -3.901 -1.197 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.660 -5.006 1.118 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.532 -6.392 0.687 1.00 0.00 C ATOM 1118 C ILE A 76 -5.411 -7.101 1.440 1.00 0.00 C ATOM 1119 O ILE A 76 -5.535 -8.271 1.801 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.260 -6.489 -0.826 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.029 -5.660 -1.198 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.476 -6.024 -1.613 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.508 -5.945 -2.590 1.00 0.00 C ATOM 0 H ILE A 76 -6.020 -4.360 0.656 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.481 -6.880 0.909 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.064 -7.531 -1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.277 -4.601 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.237 -5.855 -0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.269 -6.098 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.332 -6.652 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.700 -4.988 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.635 -5.322 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.229 -6.996 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.285 -5.722 -3.322 1.00 0.00 H new ATOM 1135 N MET A 77 -4.317 -6.384 1.674 1.00 0.00 N ATOM 1136 CA MET A 77 -3.175 -6.943 2.388 1.00 0.00 C ATOM 1137 C MET A 77 -3.334 -6.765 3.894 1.00 0.00 C ATOM 1138 O MET A 77 -2.356 -6.808 4.640 1.00 0.00 O ATOM 1139 CB MET A 77 -1.879 -6.280 1.918 1.00 0.00 C ATOM 1140 CG MET A 77 -1.749 -6.203 0.405 1.00 0.00 C ATOM 1141 SD MET A 77 -2.328 -7.698 -0.419 1.00 0.00 S ATOM 1142 CE MET A 77 -0.841 -8.210 -1.276 1.00 0.00 C ATOM 0 H MET A 77 -4.197 -5.415 1.380 1.00 0.00 H new ATOM 0 HA MET A 77 -3.129 -8.010 2.170 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.826 -5.273 2.331 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.031 -6.834 2.320 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.317 -5.348 0.039 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.706 -6.029 0.142 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.647 -9.263 -1.071 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.972 -8.067 -2.349 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.002 -7.612 -0.930 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.571 -6.566 4.334 1.00 0.00 N ATOM 1153 CA ASP A 78 -4.858 -6.382 5.752 1.00 0.00 C ATOM 1154 C ASP A 78 -5.478 -7.642 6.349 1.00 0.00 C ATOM 1155 O ASP A 78 -6.429 -8.198 5.799 1.00 0.00 O ATOM 1156 CB ASP A 78 -5.797 -5.192 5.954 1.00 0.00 C ATOM 1157 CG ASP A 78 -6.694 -5.361 7.165 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.677 -6.126 7.073 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -6.413 -4.729 8.204 1.00 0.00 O ATOM 0 H ASP A 78 -5.392 -6.528 3.729 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.917 -6.183 6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.207 -4.282 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.413 -5.064 5.064 1.00 0.00 H new ATOM 1164 N MET A 79 -4.933 -8.087 7.476 1.00 0.00 N ATOM 1165 CA MET A 79 -5.433 -9.281 8.147 1.00 0.00 C ATOM 1166 C MET A 79 -5.274 -10.511 7.258 1.00 0.00 C ATOM 1167 O MET A 79 -6.067 -11.450 7.335 1.00 0.00 O ATOM 1168 CB MET A 79 -6.903 -9.100 8.529 1.00 0.00 C ATOM 1169 CG MET A 79 -7.112 -8.191 9.730 1.00 0.00 C ATOM 1170 SD MET A 79 -8.716 -8.435 10.515 1.00 0.00 S ATOM 1171 CE MET A 79 -8.280 -8.249 12.242 1.00 0.00 C ATOM 0 H MET A 79 -4.145 -7.639 7.944 1.00 0.00 H new ATOM 0 HA MET A 79 -4.846 -9.431 9.053 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.444 -8.691 7.676 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.337 -10.077 8.743 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.323 -8.373 10.460 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.021 -7.152 9.414 1.00 0.00 H new ATOM 0 HE1 MET A 79 -9.157 -7.932 12.807 1.00 0.00 H new ATOM 0 HE2 MET A 79 -7.923 -9.202 12.632 1.00 0.00 H new ATOM 0 HE3 MET A 79 -7.495 -7.500 12.340 1.00 0.00 H new ATOM 1181 N ILE A 80 -4.247 -10.498 6.416 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.985 -11.612 5.514 1.00 0.00 C ATOM 1183 C ILE A 80 -3.307 -12.765 6.247 1.00 0.00 C ATOM 1184 O ILE A 80 -2.691 -12.573 7.295 1.00 0.00 O ATOM 1185 CB ILE A 80 -3.101 -11.182 4.328 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.931 -10.414 3.298 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.445 -12.396 3.689 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.300 -10.371 1.924 1.00 0.00 C ATOM 0 H ILE A 80 -3.582 -9.728 6.340 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.951 -11.944 5.134 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.316 -10.523 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.917 -10.873 3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.081 -9.394 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.824 -12.076 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.825 -12.905 4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.215 -13.078 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.943 -9.811 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.327 -9.885 1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.175 -11.387 1.549 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.423 -13.965 5.687 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.819 -15.150 6.284 1.00 0.00 C ATOM 1202 C LYS A 81 -1.683 -15.678 5.415 1.00 0.00 C ATOM 1203 O LYS A 81 -1.899 -16.502 4.525 1.00 0.00 O ATOM 1204 CB LYS A 81 -3.874 -16.241 6.481 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.572 -16.177 7.828 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.087 -17.541 8.255 1.00 0.00 C ATOM 1207 CE LYS A 81 -6.050 -17.431 9.428 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.361 -16.858 9.017 1.00 0.00 N ATOM 0 H LYS A 81 -3.930 -14.142 4.820 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.410 -14.869 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.620 -16.160 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.400 -17.217 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.880 -15.797 8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.403 -15.474 7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.589 -18.021 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.247 -18.178 8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.206 -18.418 9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.608 -16.806 10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.056 -17.000 9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.253 -15.840 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.692 -17.333 8.153 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.472 -15.200 5.678 1.00 0.00 N ATOM 1223 CA LEU A 82 0.700 -15.626 4.921 1.00 0.00 C ATOM 1224 C LEU A 82 1.547 -16.603 5.730 1.00 0.00 C ATOM 1225 O LEU A 82 1.613 -16.514 6.956 1.00 0.00 O ATOM 1226 CB LEU A 82 1.543 -14.413 4.522 1.00 0.00 C ATOM 1227 CG LEU A 82 2.598 -14.654 3.442 1.00 0.00 C ATOM 1228 CD1 LEU A 82 1.938 -14.865 2.089 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.577 -13.490 3.385 1.00 0.00 C ATOM 0 H LEU A 82 -0.276 -14.517 6.410 1.00 0.00 H new ATOM 0 HA LEU A 82 0.354 -16.133 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.871 -13.627 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.044 -14.035 5.413 1.00 0.00 H new ATOM 0 HG LEU A 82 3.152 -15.557 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.704 -15.035 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.278 -15.731 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.358 -13.981 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.321 -13.678 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.037 -12.572 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.075 -13.386 4.349 1.00 0.00 H new ATOM 1241 N TYR A 83 2.193 -17.533 5.036 1.00 0.00 N ATOM 1242 CA TYR A 83 3.036 -18.527 5.691 1.00 0.00 C ATOM 1243 C TYR A 83 2.605 -18.738 7.139 1.00 0.00 C ATOM 1244 O TYR A 83 3.408 -18.611 8.062 1.00 0.00 O ATOM 1245 CB TYR A 83 4.502 -18.096 5.641 1.00 0.00 C ATOM 1246 CG TYR A 83 5.032 -17.912 4.237 1.00 0.00 C ATOM 1247 CD1 TYR A 83 5.024 -18.962 3.327 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.540 -16.688 3.820 1.00 0.00 C ATOM 1249 CE1 TYR A 83 5.508 -18.799 2.044 1.00 0.00 C ATOM 1250 CE2 TYR A 83 6.025 -16.515 2.537 1.00 0.00 C ATOM 1251 CZ TYR A 83 6.007 -17.574 1.653 1.00 0.00 C ATOM 1252 OH TYR A 83 6.489 -17.407 0.375 1.00 0.00 O ATOM 0 H TYR A 83 2.149 -17.620 4.021 1.00 0.00 H new ATOM 0 HA TYR A 83 2.923 -19.470 5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.616 -17.160 6.189 1.00 0.00 H new ATOM 0 HB3 TYR A 83 5.109 -18.842 6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.632 -19.922 3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.556 -15.857 4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 83 5.496 -19.627 1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.416 -15.557 2.229 1.00 0.00 H new ATOM 0 HH TYR A 83 6.802 -16.485 0.261 1.00 0.00 H new ATOM 1262 N GLY A 84 1.329 -19.062 7.329 1.00 0.00 N ATOM 1263 CA GLY A 84 0.812 -19.287 8.666 1.00 0.00 C ATOM 1264 C GLY A 84 1.123 -18.141 9.608 1.00 0.00 C ATOM 1265 O GLY A 84 1.850 -18.311 10.587 1.00 0.00 O ATOM 0 H GLY A 84 0.645 -19.173 6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.268 -19.429 8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.236 -20.208 9.066 1.00 0.00 H new ATOM 1269 N LYS A 85 0.573 -16.968 9.312 1.00 0.00 N ATOM 1270 CA LYS A 85 0.795 -15.788 10.139 1.00 0.00 C ATOM 1271 C LYS A 85 -0.095 -14.634 9.691 1.00 0.00 C ATOM 1272 O LYS A 85 0.029 -14.117 8.580 1.00 0.00 O ATOM 1273 CB LYS A 85 2.265 -15.366 10.077 1.00 0.00 C ATOM 1274 CG LYS A 85 3.130 -16.014 11.144 1.00 0.00 C ATOM 1275 CD LYS A 85 4.261 -15.097 11.578 1.00 0.00 C ATOM 1276 CE LYS A 85 3.887 -14.296 12.815 1.00 0.00 C ATOM 1277 NZ LYS A 85 2.882 -13.241 12.511 1.00 0.00 N ATOM 0 H LYS A 85 -0.030 -16.809 8.505 1.00 0.00 H new ATOM 0 HA LYS A 85 0.539 -16.043 11.167 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.665 -15.617 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.328 -14.283 10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.515 -16.268 12.007 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.543 -16.947 10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.153 -15.690 11.783 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.511 -14.416 10.764 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.489 -14.968 13.576 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.782 -13.835 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.948 -12.484 13.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.067 -12.847 11.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.928 -13.654 12.533 1.00 0.00 H new ATOM 1291 N PRO A 86 -1.015 -14.217 10.574 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.943 -13.118 10.291 1.00 0.00 C ATOM 1293 C PRO A 86 -1.241 -11.766 10.237 1.00 0.00 C ATOM 1294 O PRO A 86 -1.223 -11.026 11.221 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.920 -13.167 11.469 1.00 0.00 C ATOM 1296 CG PRO A 86 -2.150 -13.805 12.573 1.00 0.00 C ATOM 1297 CD PRO A 86 -1.220 -14.787 11.916 1.00 0.00 C ATOM 0 HA PRO A 86 -2.421 -13.229 9.318 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.256 -12.168 11.747 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.810 -13.745 11.221 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.593 -13.060 13.141 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.817 -14.308 13.274 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.281 -14.878 12.462 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.658 -15.784 11.867 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.664 -11.450 9.082 1.00 0.00 N ATOM 1306 CA ILE A 87 0.038 -10.186 8.901 1.00 0.00 C ATOM 1307 C ILE A 87 -0.862 -9.003 9.242 1.00 0.00 C ATOM 1308 O ILE A 87 -2.078 -9.150 9.363 1.00 0.00 O ATOM 1309 CB ILE A 87 0.548 -10.027 7.456 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.628 -9.844 6.494 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.385 -11.233 7.055 1.00 0.00 C ATOM 1312 CD1 ILE A 87 -0.235 -9.230 5.169 1.00 0.00 C ATOM 0 H ILE A 87 -0.669 -12.052 8.258 1.00 0.00 H new ATOM 0 HA ILE A 87 0.891 -10.199 9.580 1.00 0.00 H new ATOM 0 HB ILE A 87 1.177 -9.138 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.093 -10.813 6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.380 -9.214 6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.738 -11.107 6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.240 -11.322 7.726 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.777 -12.136 7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.118 -9.130 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.202 -8.246 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.494 -9.871 4.673 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.256 -7.830 9.396 1.00 0.00 N ATOM 1325 CA ARG A 88 -1.002 -6.621 9.723 1.00 0.00 C ATOM 1326 C ARG A 88 -0.498 -5.434 8.908 1.00 0.00 C ATOM 1327 O ARG A 88 0.626 -4.970 9.097 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.887 -6.314 11.217 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.319 -7.465 12.111 1.00 0.00 C ATOM 1330 CD ARG A 88 -2.816 -7.714 12.014 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.364 -8.246 13.259 1.00 0.00 N ATOM 1332 CZ ARG A 88 -4.446 -9.014 13.316 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -5.093 -9.338 12.205 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -4.884 -9.459 14.487 1.00 0.00 N ATOM 0 H ARG A 88 0.750 -7.691 9.299 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.049 -6.792 9.474 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.146 -6.054 11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.494 -5.439 11.447 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.780 -8.369 11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.052 -7.245 13.145 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.323 -6.782 11.764 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.015 -8.413 11.202 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.890 -8.015 14.132 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.760 -8.997 11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.924 -9.928 12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.390 -9.211 15.344 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.715 -10.049 14.530 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.339 -4.946 8.001 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.979 -3.813 7.157 1.00 0.00 C ATOM 1350 C VAL A 89 -1.733 -2.555 7.575 1.00 0.00 C ATOM 1351 O VAL A 89 -2.933 -2.600 7.845 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.270 -4.103 5.673 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.092 -2.844 4.837 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.375 -5.222 5.164 1.00 0.00 C ATOM 0 H VAL A 89 -2.274 -5.318 7.832 1.00 0.00 H new ATOM 0 HA VAL A 89 0.091 -3.651 7.284 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.307 -4.427 5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.302 -3.069 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.779 -2.074 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.067 -2.486 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.594 -5.414 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.670 -4.929 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.558 -6.127 5.744 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.021 -1.434 7.627 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.623 -0.163 8.013 1.00 0.00 C ATOM 1366 C ASN A 90 -0.759 1.008 7.558 1.00 0.00 C ATOM 1367 O ASN A 90 0.459 0.882 7.426 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.820 -0.108 9.529 1.00 0.00 C ATOM 1369 CG ASN A 90 -0.707 -0.810 10.283 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -0.571 -2.032 10.215 1.00 0.00 O ATOM 1371 ND2 ASN A 90 0.096 -0.038 11.006 1.00 0.00 N ATOM 0 H ASN A 90 -0.027 -1.380 7.407 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.594 -0.086 7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.871 0.933 9.848 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.775 -0.567 9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.863 -0.454 11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.054 0.970 11.033 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.397 2.149 7.319 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.688 3.346 6.880 1.00 0.00 C ATOM 1380 C LYS A 91 0.629 3.504 7.633 1.00 0.00 C ATOM 1381 O LYS A 91 0.663 3.450 8.862 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.560 4.586 7.089 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.387 4.960 5.872 1.00 0.00 C ATOM 1384 CD LYS A 91 -1.696 6.022 5.034 1.00 0.00 C ATOM 1385 CE LYS A 91 -0.838 5.400 3.942 1.00 0.00 C ATOM 1386 NZ LYS A 91 -1.655 4.964 2.776 1.00 0.00 N ATOM 0 H LYS A 91 -2.405 2.270 7.422 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.469 3.239 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.228 4.412 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.922 5.428 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.563 4.073 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.363 5.326 6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.444 6.675 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.074 6.646 5.676 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.090 6.122 3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.298 4.544 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.201 4.147 2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.606 4.696 3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.729 5.745 2.093 1.00 0.00 H new ATOM 1400 N ALA A 92 1.711 3.702 6.887 1.00 0.00 N ATOM 1401 CA ALA A 92 3.030 3.873 7.485 1.00 0.00 C ATOM 1402 C ALA A 92 3.101 5.159 8.301 1.00 0.00 C ATOM 1403 O ALA A 92 3.748 5.207 9.347 1.00 0.00 O ATOM 1404 CB ALA A 92 4.103 3.870 6.406 1.00 0.00 C ATOM 0 H ALA A 92 1.700 3.748 5.868 1.00 0.00 H new ATOM 0 HA ALA A 92 3.207 3.036 8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.083 3.999 6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.076 2.922 5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.920 4.687 5.709 1.00 0.00 H new