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= -3.25 K(o=-9.8,f=-15!) USER MOD Set 1.2: A 77 MET CE :methyl 159:sc= -6.55! (180deg=-5.52!) USER MOD Single : A 17 THR OG1 : rot 25:sc= 0.154 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -128:sc= 0.174 (180deg=-0.00868) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0016 USER MOD Single : A 44 ASN : amide:sc= -1.15 X(o=-1.2,f=-1.2) USER MOD Single : A 45 THR OG1 : rot -175:sc= 0.196 USER MOD Single : A 46 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-3.6!) USER MOD Single : A 47 MET CE :methyl 174:sc= 0 (180deg=-0.0151) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 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 -146:sc= -0.169 (180deg=-2.08!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= -0.0754 USER MOD Single : A 85 LYS NZ :NH3+ -108:sc= 1.21 (180deg=-0.159) USER MOD Single : A 90 ASN : amide:sc= -4.72! C(o=-4.7!,f=-6.6!) USER MOD Single : A 91 LYS NZ :NH3+ 152:sc= -0.263 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.725 4.310 1.383 1.00 0.00 N ATOM 203 CA THR A 17 4.238 3.029 1.853 1.00 0.00 C ATOM 204 C THR A 17 3.287 2.392 2.860 1.00 0.00 C ATOM 205 O THR A 17 2.502 3.083 3.511 1.00 0.00 O ATOM 206 CB THR A 17 5.626 3.184 2.502 1.00 0.00 C ATOM 207 OG1 THR A 17 6.504 3.890 1.618 1.00 0.00 O ATOM 208 CG2 THR A 17 6.221 1.825 2.837 1.00 0.00 C ATOM 0 HA THR A 17 4.324 2.383 0.979 1.00 0.00 H new ATOM 0 HB THR A 17 5.510 3.750 3.426 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.976 4.443 1.005 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.201 1.960 3.294 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.565 1.302 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.324 1.238 1.924 1.00 0.00 H new ATOM 216 N VAL A 18 3.362 1.071 2.985 1.00 0.00 N ATOM 217 CA VAL A 18 2.509 0.341 3.915 1.00 0.00 C ATOM 218 C VAL A 18 3.324 -0.248 5.061 1.00 0.00 C ATOM 219 O VAL A 18 4.494 -0.590 4.893 1.00 0.00 O ATOM 220 CB VAL A 18 1.747 -0.793 3.205 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.200 -0.315 1.869 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.647 -2.005 3.019 1.00 0.00 C ATOM 0 H VAL A 18 4.005 0.484 2.454 1.00 0.00 H new ATOM 0 HA VAL A 18 1.790 1.057 4.315 1.00 0.00 H new ATOM 0 HB VAL A 18 0.904 -1.087 3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.665 -1.130 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.519 0.520 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.024 0.009 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.092 -2.797 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.511 -1.727 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.984 -2.361 3.993 1.00 0.00 H new ATOM 232 N TYR A 19 2.697 -0.365 6.227 1.00 0.00 N ATOM 233 CA TYR A 19 3.364 -0.912 7.402 1.00 0.00 C ATOM 234 C TYR A 19 3.062 -2.399 7.557 1.00 0.00 C ATOM 235 O TYR A 19 1.981 -2.782 8.007 1.00 0.00 O ATOM 236 CB TYR A 19 2.927 -0.157 8.659 1.00 0.00 C ATOM 237 CG TYR A 19 3.783 -0.452 9.870 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.884 -1.742 10.377 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.491 0.559 10.507 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.664 -2.015 11.484 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.275 0.295 11.614 1.00 0.00 C ATOM 242 CZ TYR A 19 5.358 -0.994 12.098 1.00 0.00 C ATOM 243 OH TYR A 19 6.137 -1.262 13.200 1.00 0.00 O ATOM 0 H TYR A 19 1.728 -0.088 6.383 1.00 0.00 H new ATOM 0 HA TYR A 19 4.439 -0.791 7.268 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.954 0.914 8.457 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.892 -0.413 8.885 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.344 -2.545 9.897 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.428 1.569 10.131 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.730 -3.023 11.866 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.819 1.093 12.097 1.00 0.00 H new ATOM 0 HH TYR A 19 6.559 -0.434 13.511 1.00 0.00 H new ATOM 253 N VAL A 20 4.025 -3.234 7.182 1.00 0.00 N ATOM 254 CA VAL A 20 3.865 -4.680 7.281 1.00 0.00 C ATOM 255 C VAL A 20 4.493 -5.217 8.563 1.00 0.00 C ATOM 256 O VAL A 20 5.680 -5.015 8.817 1.00 0.00 O ATOM 257 CB VAL A 20 4.497 -5.398 6.074 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.308 -6.903 6.189 1.00 0.00 C ATOM 259 CG2 VAL A 20 3.903 -4.876 4.774 1.00 0.00 C ATOM 0 H VAL A 20 4.925 -2.934 6.807 1.00 0.00 H new ATOM 0 HA VAL A 20 2.793 -4.879 7.294 1.00 0.00 H new ATOM 0 HB VAL A 20 5.567 -5.190 6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.761 -7.393 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.784 -7.261 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.243 -7.135 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.361 -5.394 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.828 -5.053 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.095 -3.806 4.690 1.00 0.00 H new ATOM 269 N GLY A 21 3.687 -5.902 9.368 1.00 0.00 N ATOM 270 CA GLY A 21 4.181 -6.458 10.614 1.00 0.00 C ATOM 271 C GLY A 21 3.682 -7.868 10.859 1.00 0.00 C ATOM 272 O GLY A 21 2.495 -8.150 10.701 1.00 0.00 O ATOM 0 H GLY A 21 2.701 -6.082 9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.271 -6.459 10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.873 -5.818 11.441 1.00 0.00 H new ATOM 276 N GLY A 22 4.592 -8.758 11.243 1.00 0.00 N ATOM 277 CA GLY A 22 4.218 -10.137 11.502 1.00 0.00 C ATOM 278 C GLY A 22 4.434 -11.031 10.297 1.00 0.00 C ATOM 279 O GLY A 22 3.495 -11.660 9.805 1.00 0.00 O ATOM 0 H GLY A 22 5.581 -8.549 11.379 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.800 -10.517 12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.169 -10.177 11.797 1.00 0.00 H new ATOM 283 N LEU A 23 5.672 -11.089 9.819 1.00 0.00 N ATOM 284 CA LEU A 23 6.008 -11.913 8.663 1.00 0.00 C ATOM 285 C LEU A 23 6.730 -13.185 9.093 1.00 0.00 C ATOM 286 O LEU A 23 7.341 -13.234 10.160 1.00 0.00 O ATOM 287 CB LEU A 23 6.880 -11.123 7.686 1.00 0.00 C ATOM 288 CG LEU A 23 6.249 -9.864 7.090 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.314 -8.981 6.457 1.00 0.00 C ATOM 290 CD2 LEU A 23 5.184 -10.234 6.068 1.00 0.00 C ATOM 0 H LEU A 23 6.460 -10.575 10.214 1.00 0.00 H new ATOM 0 HA LEU A 23 5.080 -12.195 8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.798 -10.837 8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.165 -11.785 6.868 1.00 0.00 H new ATOM 0 HG LEU A 23 5.773 -9.304 7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.846 -8.090 6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.041 -8.687 7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.819 -9.532 5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.746 -9.326 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.637 -10.817 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.406 -10.825 6.551 1.00 0.00 H new ATOM 302 N ASP A 24 6.657 -14.213 8.253 1.00 0.00 N ATOM 303 CA ASP A 24 7.307 -15.485 8.544 1.00 0.00 C ATOM 304 C ASP A 24 8.697 -15.542 7.918 1.00 0.00 C ATOM 305 O ASP A 24 8.974 -14.851 6.939 1.00 0.00 O ATOM 306 CB ASP A 24 6.455 -16.647 8.030 1.00 0.00 C ATOM 307 CG ASP A 24 6.813 -17.964 8.689 1.00 0.00 C ATOM 308 OD1 ASP A 24 7.700 -18.668 8.163 1.00 0.00 O ATOM 309 OD2 ASP A 24 6.207 -18.292 9.731 1.00 0.00 O ATOM 0 H ASP A 24 6.154 -14.189 7.366 1.00 0.00 H new ATOM 0 HA ASP A 24 7.412 -15.571 9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.402 -16.429 8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.582 -16.738 6.951 1.00 0.00 H new ATOM 314 N GLU A 25 9.565 -16.369 8.491 1.00 0.00 N ATOM 315 CA GLU A 25 10.927 -16.514 7.989 1.00 0.00 C ATOM 316 C GLU A 25 10.937 -16.620 6.467 1.00 0.00 C ATOM 317 O GLU A 25 11.782 -16.027 5.796 1.00 0.00 O ATOM 318 CB GLU A 25 11.592 -17.748 8.602 1.00 0.00 C ATOM 319 CG GLU A 25 10.963 -19.059 8.163 1.00 0.00 C ATOM 320 CD GLU A 25 11.288 -20.205 9.102 1.00 0.00 C ATOM 321 OE1 GLU A 25 10.537 -20.402 10.080 1.00 0.00 O ATOM 322 OE2 GLU A 25 12.293 -20.904 8.859 1.00 0.00 O ATOM 0 H GLU A 25 9.350 -16.949 9.302 1.00 0.00 H new ATOM 0 HA GLU A 25 11.490 -15.626 8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.648 -17.753 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.541 -17.676 9.688 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.881 -18.937 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.310 -19.306 7.160 1.00 0.00 H new ATOM 329 N LYS A 26 9.992 -17.382 5.927 1.00 0.00 N ATOM 330 CA LYS A 26 9.889 -17.568 4.484 1.00 0.00 C ATOM 331 C LYS A 26 9.845 -16.224 3.764 1.00 0.00 C ATOM 332 O LYS A 26 10.652 -15.958 2.874 1.00 0.00 O ATOM 333 CB LYS A 26 8.641 -18.384 4.142 1.00 0.00 C ATOM 334 CG LYS A 26 8.884 -19.883 4.107 1.00 0.00 C ATOM 335 CD LYS A 26 7.593 -20.662 4.290 1.00 0.00 C ATOM 336 CE LYS A 26 6.853 -20.833 2.972 1.00 0.00 C ATOM 337 NZ LYS A 26 5.656 -21.707 3.117 1.00 0.00 N ATOM 0 H LYS A 26 9.286 -17.881 6.467 1.00 0.00 H new ATOM 0 HA LYS A 26 10.773 -18.111 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.864 -18.168 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.262 -18.063 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.343 -20.156 3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.589 -20.156 4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.815 -21.642 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.952 -20.144 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.546 -19.856 2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.527 -21.261 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.688 -22.461 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.649 -22.131 4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.794 -21.140 2.985 1.00 0.00 H new ATOM 351 N VAL A 27 8.896 -15.380 4.156 1.00 0.00 N ATOM 352 CA VAL A 27 8.747 -14.062 3.550 1.00 0.00 C ATOM 353 C VAL A 27 10.103 -13.476 3.169 1.00 0.00 C ATOM 354 O VAL A 27 11.118 -13.775 3.798 1.00 0.00 O ATOM 355 CB VAL A 27 8.026 -13.086 4.498 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.012 -11.683 3.911 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.612 -13.568 4.784 1.00 0.00 C ATOM 0 H VAL A 27 8.219 -15.585 4.891 1.00 0.00 H new ATOM 0 HA VAL A 27 8.145 -14.193 2.651 1.00 0.00 H new ATOM 0 HB VAL A 27 8.572 -13.053 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.498 -11.008 4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.036 -11.340 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.492 -11.694 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.117 -12.866 5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.053 -13.632 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.651 -14.552 5.252 1.00 0.00 H new ATOM 367 N SER A 28 10.111 -12.640 2.136 1.00 0.00 N ATOM 368 CA SER A 28 11.342 -12.014 1.669 1.00 0.00 C ATOM 369 C SER A 28 11.067 -10.618 1.119 1.00 0.00 C ATOM 370 O SER A 28 9.916 -10.197 1.013 1.00 0.00 O ATOM 371 CB SER A 28 12.002 -12.878 0.592 1.00 0.00 C ATOM 372 OG SER A 28 12.252 -14.188 1.072 1.00 0.00 O ATOM 0 H SER A 28 9.279 -12.381 1.606 1.00 0.00 H new ATOM 0 HA SER A 28 12.019 -11.924 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.358 -12.926 -0.286 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.938 -12.418 0.276 1.00 0.00 H new ATOM 0 HG SER A 28 12.672 -14.721 0.365 1.00 0.00 H new ATOM 378 N GLU A 29 12.134 -9.905 0.771 1.00 0.00 N ATOM 379 CA GLU A 29 12.008 -8.555 0.233 1.00 0.00 C ATOM 380 C GLU A 29 11.349 -8.578 -1.143 1.00 0.00 C ATOM 381 O GLU A 29 10.339 -7.918 -1.386 1.00 0.00 O ATOM 382 CB GLU A 29 13.382 -7.888 0.142 1.00 0.00 C ATOM 383 CG GLU A 29 13.739 -7.061 1.366 1.00 0.00 C ATOM 384 CD GLU A 29 15.229 -7.050 1.648 1.00 0.00 C ATOM 385 OE1 GLU A 29 15.921 -7.998 1.222 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.703 -6.092 2.294 1.00 0.00 O ATOM 0 H GLU A 29 13.094 -10.239 0.852 1.00 0.00 H new ATOM 0 HA GLU A 29 11.377 -7.979 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.141 -8.657 -0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.408 -7.247 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.393 -6.038 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.212 -7.457 2.234 1.00 0.00 H new ATOM 393 N PRO A 30 11.934 -9.355 -2.066 1.00 0.00 N ATOM 394 CA PRO A 30 11.422 -9.483 -3.434 1.00 0.00 C ATOM 395 C PRO A 30 10.101 -10.244 -3.489 1.00 0.00 C ATOM 396 O PRO A 30 9.568 -10.503 -4.568 1.00 0.00 O ATOM 397 CB PRO A 30 12.522 -10.269 -4.152 1.00 0.00 C ATOM 398 CG PRO A 30 13.207 -11.035 -3.074 1.00 0.00 C ATOM 399 CD PRO A 30 13.141 -10.170 -1.846 1.00 0.00 C ATOM 0 HA PRO A 30 11.210 -8.513 -3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.104 -10.935 -4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.215 -9.602 -4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.716 -11.993 -2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.241 -11.250 -3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.062 -10.767 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.031 -9.550 -1.743 1.00 0.00 H new ATOM 407 N LEU A 31 9.579 -10.598 -2.320 1.00 0.00 N ATOM 408 CA LEU A 31 8.319 -11.328 -2.236 1.00 0.00 C ATOM 409 C LEU A 31 7.138 -10.368 -2.131 1.00 0.00 C ATOM 410 O LEU A 31 6.152 -10.498 -2.857 1.00 0.00 O ATOM 411 CB LEU A 31 8.333 -12.270 -1.031 1.00 0.00 C ATOM 412 CG LEU A 31 7.059 -13.084 -0.800 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.806 -14.023 -1.970 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.154 -13.866 0.502 1.00 0.00 C ATOM 0 H LEU A 31 10.008 -10.392 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 31 8.206 -11.914 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.167 -12.963 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.530 -11.680 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 31 6.219 -12.394 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.896 -14.594 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.693 -13.442 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.648 -14.707 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.239 -14.439 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.005 -14.546 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.287 -13.174 1.333 1.00 0.00 H new ATOM 426 N LEU A 32 7.246 -9.402 -1.225 1.00 0.00 N ATOM 427 CA LEU A 32 6.189 -8.417 -1.027 1.00 0.00 C ATOM 428 C LEU A 32 5.953 -7.608 -2.298 1.00 0.00 C ATOM 429 O LEU A 32 4.811 -7.393 -2.706 1.00 0.00 O ATOM 430 CB LEU A 32 6.547 -7.481 0.128 1.00 0.00 C ATOM 431 CG LEU A 32 7.116 -8.147 1.381 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.516 -7.100 2.409 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.106 -9.120 1.973 1.00 0.00 C ATOM 0 H LEU A 32 8.055 -9.280 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 32 5.270 -8.951 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.273 -6.752 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.652 -6.926 0.410 1.00 0.00 H new ATOM 0 HG LEU A 32 8.008 -8.707 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.919 -7.594 3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.275 -6.443 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.642 -6.512 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.528 -9.585 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.196 -8.582 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.870 -9.891 1.239 1.00 0.00 H new ATOM 445 N TRP A 33 7.039 -7.165 -2.921 1.00 0.00 N ATOM 446 CA TRP A 33 6.949 -6.381 -4.148 1.00 0.00 C ATOM 447 C TRP A 33 5.898 -6.960 -5.088 1.00 0.00 C ATOM 448 O TRP A 33 4.864 -6.340 -5.333 1.00 0.00 O ATOM 449 CB TRP A 33 8.308 -6.336 -4.848 1.00 0.00 C ATOM 450 CG TRP A 33 8.433 -5.212 -5.832 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.484 -4.793 -6.721 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.571 -4.367 -6.028 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.965 -3.737 -7.457 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.242 -3.456 -7.051 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.835 -4.289 -5.438 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.133 -2.482 -7.495 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.718 -3.322 -5.880 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.364 -2.429 -6.899 1.00 0.00 C ATOM 0 H TRP A 33 7.991 -7.335 -2.597 1.00 0.00 H new ATOM 0 HA TRP A 33 6.651 -5.367 -3.881 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.092 -6.241 -4.097 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.474 -7.281 -5.364 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.501 -5.227 -6.829 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.453 -3.242 -8.188 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.117 -4.972 -4.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.862 -1.793 -8.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.698 -3.254 -5.432 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.076 -1.684 -7.221 1.00 0.00 H new ATOM 469 N GLU A 34 6.170 -8.151 -5.612 1.00 0.00 N ATOM 470 CA GLU A 34 5.246 -8.812 -6.526 1.00 0.00 C ATOM 471 C GLU A 34 3.933 -9.147 -5.825 1.00 0.00 C ATOM 472 O GLU A 34 2.851 -8.921 -6.368 1.00 0.00 O ATOM 473 CB GLU A 34 5.876 -10.088 -7.089 1.00 0.00 C ATOM 474 CG GLU A 34 4.916 -10.927 -7.915 1.00 0.00 C ATOM 475 CD GLU A 34 5.491 -12.282 -8.281 1.00 0.00 C ATOM 476 OE1 GLU A 34 5.407 -13.206 -7.445 1.00 0.00 O ATOM 477 OE2 GLU A 34 6.025 -12.418 -9.401 1.00 0.00 O ATOM 0 H GLU A 34 7.022 -8.677 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 34 5.035 -8.126 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.733 -9.818 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.255 -10.691 -6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.990 -11.068 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.660 -10.387 -8.827 1.00 0.00 H new ATOM 484 N LEU A 35 4.036 -9.686 -4.615 1.00 0.00 N ATOM 485 CA LEU A 35 2.857 -10.053 -3.838 1.00 0.00 C ATOM 486 C LEU A 35 1.946 -8.848 -3.629 1.00 0.00 C ATOM 487 O LEU A 35 0.742 -8.996 -3.419 1.00 0.00 O ATOM 488 CB LEU A 35 3.274 -10.633 -2.486 1.00 0.00 C ATOM 489 CG LEU A 35 2.166 -10.761 -1.440 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.100 -11.739 -1.907 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.743 -11.198 -0.101 1.00 0.00 C ATOM 0 H LEU A 35 4.924 -9.879 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 35 2.305 -10.809 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.704 -11.621 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.065 -10.007 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 35 1.701 -9.783 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.320 -11.817 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.664 -11.384 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.550 -12.719 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.940 -11.284 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.235 -12.164 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.468 -10.460 0.241 1.00 0.00 H new ATOM 503 N PHE A 36 2.529 -7.655 -3.689 1.00 0.00 N ATOM 504 CA PHE A 36 1.769 -6.424 -3.507 1.00 0.00 C ATOM 505 C PHE A 36 1.350 -5.840 -4.853 1.00 0.00 C ATOM 506 O PHE A 36 0.334 -5.149 -4.954 1.00 0.00 O ATOM 507 CB PHE A 36 2.598 -5.399 -2.730 1.00 0.00 C ATOM 508 CG PHE A 36 2.419 -5.488 -1.241 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.860 -6.600 -0.543 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.810 -4.460 -0.541 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.696 -6.685 0.827 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.643 -4.539 0.829 1.00 0.00 C ATOM 513 CZ PHE A 36 2.087 -5.653 1.514 1.00 0.00 C ATOM 0 H PHE A 36 3.524 -7.515 -3.862 1.00 0.00 H new ATOM 0 HA PHE A 36 0.870 -6.661 -2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.652 -5.539 -2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.326 -4.397 -3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.337 -7.410 -1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.461 -3.586 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.044 -7.558 1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.166 -3.731 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.958 -5.717 2.584 1.00 0.00 H new ATOM 523 N LEU A 37 2.138 -6.120 -5.885 1.00 0.00 N ATOM 524 CA LEU A 37 1.850 -5.623 -7.225 1.00 0.00 C ATOM 525 C LEU A 37 0.352 -5.661 -7.510 1.00 0.00 C ATOM 526 O LEU A 37 -0.182 -4.786 -8.190 1.00 0.00 O ATOM 527 CB LEU A 37 2.600 -6.451 -8.270 1.00 0.00 C ATOM 528 CG LEU A 37 4.074 -6.098 -8.475 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.721 -7.058 -9.461 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.216 -4.661 -8.954 1.00 0.00 C ATOM 0 H LEU A 37 2.982 -6.689 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 37 2.186 -4.588 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.535 -7.502 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.086 -6.346 -9.225 1.00 0.00 H new ATOM 0 HG LEU A 37 4.587 -6.193 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.769 -6.791 -9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.652 -8.076 -9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.206 -6.996 -10.420 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.271 -4.427 -9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.688 -4.539 -9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.791 -3.986 -8.211 1.00 0.00 H new ATOM 542 N GLN A 38 -0.320 -6.680 -6.983 1.00 0.00 N ATOM 543 CA GLN A 38 -1.757 -6.830 -7.179 1.00 0.00 C ATOM 544 C GLN A 38 -2.495 -5.552 -6.796 1.00 0.00 C ATOM 545 O GLN A 38 -3.375 -5.091 -7.522 1.00 0.00 O ATOM 546 CB GLN A 38 -2.285 -8.006 -6.356 1.00 0.00 C ATOM 547 CG GLN A 38 -1.643 -8.124 -4.983 1.00 0.00 C ATOM 548 CD GLN A 38 -2.333 -9.147 -4.102 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.061 -8.794 -3.174 1.00 0.00 O ATOM 550 NE2 GLN A 38 -2.107 -10.424 -4.389 1.00 0.00 N ATOM 0 H GLN A 38 0.108 -7.413 -6.417 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.936 -7.027 -8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.363 -7.900 -6.236 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.115 -8.930 -6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.594 -8.398 -5.099 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.666 -7.152 -4.491 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.496 -10.671 -5.168 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.544 -11.157 -3.831 1.00 0.00 H new ATOM 559 N ALA A 39 -2.132 -4.986 -5.650 1.00 0.00 N ATOM 560 CA ALA A 39 -2.759 -3.760 -5.171 1.00 0.00 C ATOM 561 C ALA A 39 -2.394 -2.574 -6.058 1.00 0.00 C ATOM 562 O ALA A 39 -3.246 -1.751 -6.391 1.00 0.00 O ATOM 563 CB ALA A 39 -2.353 -3.488 -3.730 1.00 0.00 C ATOM 0 H ALA A 39 -1.407 -5.357 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.840 -3.893 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.828 -2.570 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.669 -4.319 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.270 -3.380 -3.671 1.00 0.00 H new ATOM 569 N GLY A 40 -1.122 -2.493 -6.437 1.00 0.00 N ATOM 570 CA GLY A 40 -0.668 -1.403 -7.281 1.00 0.00 C ATOM 571 C GLY A 40 0.773 -1.572 -7.720 1.00 0.00 C ATOM 572 O GLY A 40 1.437 -2.552 -7.380 1.00 0.00 O ATOM 0 H GLY A 40 -0.398 -3.162 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.308 -1.338 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.772 -0.462 -6.741 1.00 0.00 H new ATOM 576 N PRO A 41 1.277 -0.601 -8.495 1.00 0.00 N ATOM 577 CA PRO A 41 2.654 -0.624 -8.999 1.00 0.00 C ATOM 578 C PRO A 41 3.680 -0.408 -7.892 1.00 0.00 C ATOM 579 O PRO A 41 4.151 0.708 -7.677 1.00 0.00 O ATOM 580 CB PRO A 41 2.687 0.539 -9.993 1.00 0.00 C ATOM 581 CG PRO A 41 1.618 1.466 -9.528 1.00 0.00 C ATOM 582 CD PRO A 41 0.543 0.596 -8.938 1.00 0.00 C ATOM 0 HA PRO A 41 2.911 -1.587 -9.440 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.661 1.028 -9.997 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.498 0.196 -11.010 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.004 2.166 -8.787 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.229 2.060 -10.355 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.039 1.089 -8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.222 0.349 -9.674 1.00 0.00 H new ATOM 590 N VAL A 42 4.023 -1.485 -7.191 1.00 0.00 N ATOM 591 CA VAL A 42 4.995 -1.413 -6.107 1.00 0.00 C ATOM 592 C VAL A 42 6.303 -0.791 -6.582 1.00 0.00 C ATOM 593 O VAL A 42 6.897 -1.240 -7.562 1.00 0.00 O ATOM 594 CB VAL A 42 5.286 -2.808 -5.521 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.414 -2.735 -4.503 1.00 0.00 C ATOM 596 CG2 VAL A 42 4.030 -3.395 -4.896 1.00 0.00 C ATOM 0 H VAL A 42 3.642 -2.417 -7.355 1.00 0.00 H new ATOM 0 HA VAL A 42 4.558 -0.785 -5.331 1.00 0.00 H new ATOM 0 HB VAL A 42 5.602 -3.465 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.605 -3.730 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.316 -2.359 -4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.130 -2.064 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.253 -4.380 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.681 -2.741 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.254 -3.485 -5.656 1.00 0.00 H new ATOM 606 N VAL A 43 6.748 0.247 -5.880 1.00 0.00 N ATOM 607 CA VAL A 43 7.987 0.931 -6.228 1.00 0.00 C ATOM 608 C VAL A 43 9.200 0.181 -5.688 1.00 0.00 C ATOM 609 O VAL A 43 10.114 -0.162 -6.436 1.00 0.00 O ATOM 610 CB VAL A 43 8.005 2.372 -5.685 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.099 3.184 -6.360 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.646 3.029 -5.876 1.00 0.00 C ATOM 0 H VAL A 43 6.268 0.632 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 43 8.037 0.960 -7.316 1.00 0.00 H new ATOM 0 HB VAL A 43 8.220 2.337 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.096 4.199 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.067 2.722 -6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.919 3.214 -7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.676 4.047 -5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.400 3.053 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.887 2.458 -5.341 1.00 0.00 H new ATOM 622 N ASN A 44 9.199 -0.071 -4.383 1.00 0.00 N ATOM 623 CA ASN A 44 10.300 -0.781 -3.741 1.00 0.00 C ATOM 624 C ASN A 44 9.849 -1.407 -2.425 1.00 0.00 C ATOM 625 O ASN A 44 8.804 -1.051 -1.880 1.00 0.00 O ATOM 626 CB ASN A 44 11.471 0.171 -3.491 1.00 0.00 C ATOM 627 CG ASN A 44 12.420 -0.347 -2.427 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.329 -1.125 -2.716 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.212 0.084 -1.188 1.00 0.00 N ATOM 0 H ASN A 44 8.449 0.206 -3.750 1.00 0.00 H new ATOM 0 HA ASN A 44 10.625 -1.578 -4.410 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.019 0.321 -4.421 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.086 1.145 -3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.818 -0.230 -0.430 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.446 0.729 -0.994 1.00 0.00 H new ATOM 636 N THR A 45 10.646 -2.343 -1.918 1.00 0.00 N ATOM 637 CA THR A 45 10.330 -3.020 -0.667 1.00 0.00 C ATOM 638 C THR A 45 11.390 -2.741 0.392 1.00 0.00 C ATOM 639 O THR A 45 12.586 -2.733 0.101 1.00 0.00 O ATOM 640 CB THR A 45 10.209 -4.543 -0.867 1.00 0.00 C ATOM 641 OG1 THR A 45 11.383 -5.047 -1.513 1.00 0.00 O ATOM 642 CG2 THR A 45 8.981 -4.884 -1.698 1.00 0.00 C ATOM 0 H THR A 45 11.515 -2.649 -2.355 1.00 0.00 H new ATOM 0 HA THR A 45 9.371 -2.628 -0.329 1.00 0.00 H new ATOM 0 HB THR A 45 10.106 -5.009 0.113 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.265 -6.000 -1.708 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.917 -5.965 -1.826 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.086 -4.525 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.059 -4.407 -2.675 1.00 0.00 H new ATOM 650 N HIS A 46 10.944 -2.514 1.624 1.00 0.00 N ATOM 651 CA HIS A 46 11.856 -2.236 2.728 1.00 0.00 C ATOM 652 C HIS A 46 11.652 -3.232 3.865 1.00 0.00 C ATOM 653 O HIS A 46 10.538 -3.407 4.357 1.00 0.00 O ATOM 654 CB HIS A 46 11.650 -0.810 3.240 1.00 0.00 C ATOM 655 CG HIS A 46 12.636 -0.403 4.291 1.00 0.00 C ATOM 656 ND1 HIS A 46 12.847 -1.126 5.446 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.472 0.659 4.356 1.00 0.00 C ATOM 658 CE1 HIS A 46 13.769 -0.526 6.177 1.00 0.00 C ATOM 659 NE2 HIS A 46 14.166 0.560 5.537 1.00 0.00 N ATOM 0 H HIS A 46 9.957 -2.517 1.883 1.00 0.00 H new ATOM 0 HA HIS A 46 12.876 -2.338 2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.719 -0.118 2.401 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.642 -0.720 3.645 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.574 1.439 3.617 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.136 -0.865 7.134 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.873 1.218 5.866 1.00 0.00 H new ATOM 667 N MET A 47 12.735 -3.883 4.276 1.00 0.00 N ATOM 668 CA MET A 47 12.675 -4.862 5.356 1.00 0.00 C ATOM 669 C MET A 47 13.914 -4.773 6.240 1.00 0.00 C ATOM 670 O MET A 47 15.008 -5.194 5.862 1.00 0.00 O ATOM 671 CB MET A 47 12.541 -6.275 4.785 1.00 0.00 C ATOM 672 CG MET A 47 11.104 -6.689 4.517 1.00 0.00 C ATOM 673 SD MET A 47 10.963 -8.404 3.979 1.00 0.00 S ATOM 674 CE MET A 47 11.119 -9.263 5.543 1.00 0.00 C ATOM 0 H MET A 47 13.665 -3.751 3.878 1.00 0.00 H new ATOM 0 HA MET A 47 11.799 -4.640 5.966 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.108 -6.338 3.856 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.991 -6.983 5.481 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.514 -6.547 5.423 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.679 -6.037 3.754 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.946 -10.328 5.392 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.122 -9.112 5.943 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.385 -8.872 6.247 1.00 0.00 H new ATOM 684 N PRO A 48 13.743 -4.212 7.446 1.00 0.00 N ATOM 685 CA PRO A 48 14.837 -4.056 8.409 1.00 0.00 C ATOM 686 C PRO A 48 15.297 -5.390 8.986 1.00 0.00 C ATOM 687 O PRO A 48 14.480 -6.251 9.314 1.00 0.00 O ATOM 688 CB PRO A 48 14.222 -3.182 9.506 1.00 0.00 C ATOM 689 CG PRO A 48 12.757 -3.439 9.418 1.00 0.00 C ATOM 690 CD PRO A 48 12.468 -3.688 7.963 1.00 0.00 C ATOM 0 HA PRO A 48 15.726 -3.624 7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.612 -3.447 10.489 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.449 -2.128 9.346 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.474 -4.299 10.025 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.188 -2.586 9.789 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.657 -4.404 7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.172 -2.773 7.450 1.00 0.00 H new ATOM 851 N TYR A 59 8.788 -7.453 10.484 1.00 0.00 N ATOM 852 CA TYR A 59 7.968 -6.386 9.923 1.00 0.00 C ATOM 853 C TYR A 59 8.681 -5.705 8.759 1.00 0.00 C ATOM 854 O TYR A 59 9.886 -5.459 8.812 1.00 0.00 O ATOM 855 CB TYR A 59 7.629 -5.355 11.001 1.00 0.00 C ATOM 856 CG TYR A 59 8.826 -4.566 11.482 1.00 0.00 C ATOM 857 CD1 TYR A 59 9.201 -3.384 10.854 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.583 -5.002 12.562 1.00 0.00 C ATOM 859 CE1 TYR A 59 10.294 -2.660 11.289 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.676 -4.284 13.005 1.00 0.00 C ATOM 861 CZ TYR A 59 11.028 -3.114 12.365 1.00 0.00 C ATOM 862 OH TYR A 59 12.118 -2.396 12.802 1.00 0.00 O ATOM 0 HA TYR A 59 7.045 -6.830 9.550 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.883 -4.664 10.609 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.176 -5.866 11.851 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.628 -3.026 10.012 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.312 -5.919 13.064 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.572 -1.744 10.790 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.252 -4.637 13.848 1.00 0.00 H new ATOM 0 HH TYR A 59 12.524 -2.852 13.569 1.00 0.00 H new ATOM 872 N GLY A 60 7.927 -5.403 7.706 1.00 0.00 N ATOM 873 CA GLY A 60 8.502 -4.753 6.543 1.00 0.00 C ATOM 874 C GLY A 60 7.677 -3.572 6.071 1.00 0.00 C ATOM 875 O GLY A 60 6.855 -3.042 6.819 1.00 0.00 O ATOM 0 H GLY A 60 6.928 -5.597 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.511 -4.415 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.591 -5.477 5.733 1.00 0.00 H new ATOM 879 N PHE A 61 7.897 -3.158 4.828 1.00 0.00 N ATOM 880 CA PHE A 61 7.169 -2.030 4.258 1.00 0.00 C ATOM 881 C PHE A 61 7.172 -2.096 2.733 1.00 0.00 C ATOM 882 O PHE A 61 8.110 -2.611 2.125 1.00 0.00 O ATOM 883 CB PHE A 61 7.786 -0.710 4.724 1.00 0.00 C ATOM 884 CG PHE A 61 7.889 -0.592 6.218 1.00 0.00 C ATOM 885 CD1 PHE A 61 8.988 -1.098 6.892 1.00 0.00 C ATOM 886 CD2 PHE A 61 6.886 0.026 6.948 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.087 -0.990 8.267 1.00 0.00 C ATOM 888 CE2 PHE A 61 6.979 0.137 8.323 1.00 0.00 C ATOM 889 CZ PHE A 61 8.080 -0.373 8.983 1.00 0.00 C ATOM 0 H PHE A 61 8.573 -3.586 4.196 1.00 0.00 H new ATOM 0 HA PHE A 61 6.137 -2.083 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.781 -0.610 4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.187 0.117 4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.777 -1.583 6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.022 0.425 6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.950 -1.387 8.780 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.191 0.622 8.881 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.153 -0.289 10.057 1.00 0.00 H new ATOM 899 N VAL A 62 6.116 -1.569 2.122 1.00 0.00 N ATOM 900 CA VAL A 62 5.996 -1.566 0.669 1.00 0.00 C ATOM 901 C VAL A 62 5.674 -0.171 0.147 1.00 0.00 C ATOM 902 O VAL A 62 4.543 0.300 0.263 1.00 0.00 O ATOM 903 CB VAL A 62 4.905 -2.544 0.194 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.812 -2.544 -1.324 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.181 -3.945 0.719 1.00 0.00 C ATOM 0 H VAL A 62 5.331 -1.138 2.611 1.00 0.00 H new ATOM 0 HA VAL A 62 6.959 -1.886 0.271 1.00 0.00 H new ATOM 0 HB VAL A 62 3.946 -2.213 0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.036 -3.241 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.564 -1.542 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.769 -2.850 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.401 -4.623 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.148 -4.288 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.192 -3.929 1.809 1.00 0.00 H new ATOM 915 N GLU A 63 6.676 0.486 -0.429 1.00 0.00 N ATOM 916 CA GLU A 63 6.499 1.829 -0.969 1.00 0.00 C ATOM 917 C GLU A 63 5.854 1.779 -2.351 1.00 0.00 C ATOM 918 O GLU A 63 6.492 1.394 -3.332 1.00 0.00 O ATOM 919 CB GLU A 63 7.845 2.553 -1.047 1.00 0.00 C ATOM 920 CG GLU A 63 7.741 3.975 -1.571 1.00 0.00 C ATOM 921 CD GLU A 63 9.037 4.748 -1.422 1.00 0.00 C ATOM 922 OE1 GLU A 63 10.112 4.114 -1.441 1.00 0.00 O ATOM 923 OE2 GLU A 63 8.975 5.988 -1.287 1.00 0.00 O ATOM 0 H GLU A 63 7.618 0.110 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 63 5.838 2.378 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.296 2.572 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.517 1.985 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.456 3.951 -2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.947 4.498 -1.037 1.00 0.00 H new ATOM 930 N PHE A 64 4.586 2.170 -2.421 1.00 0.00 N ATOM 931 CA PHE A 64 3.854 2.168 -3.682 1.00 0.00 C ATOM 932 C PHE A 64 4.151 3.431 -4.485 1.00 0.00 C ATOM 933 O PHE A 64 4.663 4.415 -3.949 1.00 0.00 O ATOM 934 CB PHE A 64 2.350 2.056 -3.423 1.00 0.00 C ATOM 935 CG PHE A 64 1.875 0.642 -3.251 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.574 -0.140 -4.354 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.729 0.095 -1.987 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.137 -1.443 -4.200 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.293 -1.207 -1.826 1.00 0.00 C ATOM 940 CZ PHE A 64 0.995 -1.976 -2.934 1.00 0.00 C ATOM 0 H PHE A 64 4.044 2.492 -1.619 1.00 0.00 H new ATOM 0 HA PHE A 64 4.181 1.305 -4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.100 2.626 -2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.811 2.513 -4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.682 0.273 -5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.958 0.692 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.907 -2.043 -5.068 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.186 -1.622 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.652 -2.992 -2.810 1.00 0.00 H new ATOM 950 N LEU A 65 3.826 3.397 -5.772 1.00 0.00 N ATOM 951 CA LEU A 65 4.057 4.538 -6.651 1.00 0.00 C ATOM 952 C LEU A 65 3.154 5.708 -6.273 1.00 0.00 C ATOM 953 O LEU A 65 3.590 6.859 -6.251 1.00 0.00 O ATOM 954 CB LEU A 65 3.815 4.142 -8.108 1.00 0.00 C ATOM 955 CG LEU A 65 4.171 5.196 -9.158 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.674 5.233 -9.388 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.437 4.919 -10.462 1.00 0.00 C ATOM 0 H LEU A 65 3.401 2.591 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 65 5.094 4.851 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.389 3.240 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.762 3.884 -8.223 1.00 0.00 H new ATOM 0 HG LEU A 65 3.856 6.172 -8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.909 5.988 -10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.179 5.480 -8.454 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.013 4.258 -9.737 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.702 5.679 -11.197 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.721 3.936 -10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.362 4.944 -10.287 1.00 0.00 H new ATOM 969 N SER A 66 1.895 5.405 -5.974 1.00 0.00 N ATOM 970 CA SER A 66 0.930 6.431 -5.599 1.00 0.00 C ATOM 971 C SER A 66 0.346 6.149 -4.218 1.00 0.00 C ATOM 972 O SER A 66 0.292 5.000 -3.779 1.00 0.00 O ATOM 973 CB SER A 66 -0.194 6.508 -6.634 1.00 0.00 C ATOM 974 OG SER A 66 0.326 6.708 -7.937 1.00 0.00 O ATOM 0 H SER A 66 1.519 4.457 -5.984 1.00 0.00 H new ATOM 0 HA SER A 66 1.450 7.388 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.779 5.589 -6.610 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.871 7.323 -6.380 1.00 0.00 H new ATOM 0 HG SER A 66 -0.412 6.752 -8.580 1.00 0.00 H new ATOM 980 N GLU A 67 -0.090 7.205 -3.539 1.00 0.00 N ATOM 981 CA GLU A 67 -0.669 7.071 -2.207 1.00 0.00 C ATOM 982 C GLU A 67 -1.889 6.155 -2.235 1.00 0.00 C ATOM 983 O GLU A 67 -2.002 5.231 -1.429 1.00 0.00 O ATOM 984 CB GLU A 67 -1.061 8.444 -1.656 1.00 0.00 C ATOM 985 CG GLU A 67 -1.498 8.413 -0.201 1.00 0.00 C ATOM 986 CD GLU A 67 -2.990 8.195 -0.045 1.00 0.00 C ATOM 987 OE1 GLU A 67 -3.593 7.559 -0.935 1.00 0.00 O ATOM 988 OE2 GLU A 67 -3.556 8.660 0.966 1.00 0.00 O ATOM 0 H GLU A 67 -0.053 8.162 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 67 0.083 6.627 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.214 9.123 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.871 8.852 -2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.962 7.619 0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.220 9.352 0.278 1.00 0.00 H new ATOM 995 N GLU A 68 -2.800 6.419 -3.167 1.00 0.00 N ATOM 996 CA GLU A 68 -4.012 5.619 -3.298 1.00 0.00 C ATOM 997 C GLU A 68 -3.677 4.132 -3.372 1.00 0.00 C ATOM 998 O GLU A 68 -4.333 3.305 -2.739 1.00 0.00 O ATOM 999 CB GLU A 68 -4.795 6.039 -4.544 1.00 0.00 C ATOM 1000 CG GLU A 68 -3.999 5.917 -5.832 1.00 0.00 C ATOM 1001 CD GLU A 68 -4.850 6.145 -7.067 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -5.896 5.474 -7.198 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -4.470 6.992 -7.902 1.00 0.00 O ATOM 0 H GLU A 68 -2.722 7.180 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.628 5.792 -2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.693 5.426 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.123 7.072 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.182 6.639 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.548 4.926 -5.884 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.653 3.800 -4.150 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.230 2.414 -4.308 1.00 0.00 C ATOM 1012 C ASP A 69 -2.033 1.748 -2.949 1.00 0.00 C ATOM 1013 O ASP A 69 -2.374 0.580 -2.764 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.934 2.342 -5.117 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.164 2.562 -6.599 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.122 1.975 -7.144 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.386 3.321 -7.215 1.00 0.00 O ATOM 0 H ASP A 69 -2.100 4.473 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.014 1.880 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.235 3.091 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.468 1.368 -4.965 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.480 2.499 -2.002 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.239 1.982 -0.661 1.00 0.00 C ATOM 1024 C ALA A 70 -2.546 1.594 0.021 1.00 0.00 C ATOM 1025 O ALA A 70 -2.806 0.415 0.260 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.490 3.010 0.174 1.00 0.00 C ATOM 0 H ALA A 70 -1.191 3.467 -2.139 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.626 1.085 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.317 2.611 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.467 3.235 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.083 3.922 0.246 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.364 2.593 0.333 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.645 2.356 0.988 1.00 0.00 C ATOM 1034 C ASP A 71 -5.352 1.148 0.379 1.00 0.00 C ATOM 1035 O ASP A 71 -5.903 0.313 1.096 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.537 3.594 0.875 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.611 3.633 1.945 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -6.380 3.074 3.037 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.682 4.222 1.689 1.00 0.00 O ATOM 0 H ASP A 71 -3.163 3.575 0.143 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.454 2.150 2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.921 4.490 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.007 3.611 -0.108 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.332 1.064 -0.946 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.973 -0.039 -1.652 1.00 0.00 C ATOM 1046 C TYR A 72 -5.360 -1.375 -1.246 1.00 0.00 C ATOM 1047 O TYR A 72 -6.059 -2.381 -1.127 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.848 0.154 -3.164 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.708 -0.795 -3.968 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.389 -2.144 -4.061 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.839 -0.342 -4.637 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -7.172 -3.014 -4.795 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.628 -1.205 -5.372 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.290 -2.540 -5.448 1.00 0.00 C ATOM 1055 OH TYR A 72 -9.072 -3.403 -6.181 1.00 0.00 O ATOM 0 H TYR A 72 -4.879 1.747 -1.553 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.028 -0.047 -1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.120 1.179 -3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.806 0.021 -3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.514 -2.519 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.105 0.703 -4.581 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.910 -4.060 -4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.505 -0.837 -5.884 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.821 -2.910 -6.577 1.00 0.00 H new ATOM 1065 N ALA A 73 -4.048 -1.376 -1.033 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.339 -2.587 -0.638 1.00 0.00 C ATOM 1067 C ALA A 73 -3.557 -2.893 0.840 1.00 0.00 C ATOM 1068 O ALA A 73 -3.405 -4.034 1.277 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.854 -2.451 -0.937 1.00 0.00 C ATOM 0 H ALA A 73 -3.455 -0.552 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.740 -3.418 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.337 -3.363 -0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.711 -2.288 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.447 -1.605 -0.383 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.913 -1.866 1.606 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.151 -2.026 3.035 1.00 0.00 C ATOM 1077 C ILE A 74 -5.515 -2.655 3.297 1.00 0.00 C ATOM 1078 O ILE A 74 -5.785 -3.146 4.394 1.00 0.00 O ATOM 1079 CB ILE A 74 -4.070 -0.678 3.773 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.766 0.043 3.423 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.177 -0.889 5.276 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.807 1.531 3.690 1.00 0.00 C ATOM 0 H ILE A 74 -4.043 -0.915 1.260 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.370 -2.686 3.414 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.905 -0.055 3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.951 -0.398 3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.540 -0.123 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.118 0.074 5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.129 -1.365 5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.360 -1.527 5.613 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.850 1.976 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.600 1.986 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.001 1.706 4.748 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.373 -2.640 2.283 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.709 -3.211 2.401 1.00 0.00 C ATOM 1096 C LYS A 75 -7.706 -4.687 2.017 1.00 0.00 C ATOM 1097 O LYS A 75 -8.536 -5.463 2.491 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.694 -2.445 1.515 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.832 -3.024 0.117 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.456 -2.024 -0.841 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.973 -2.138 -0.857 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.617 -0.908 -1.394 1.00 0.00 N ATOM 0 H LYS A 75 -6.166 -2.238 1.369 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.023 -3.125 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.673 -2.439 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.370 -1.407 1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.851 -3.321 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.445 -3.925 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.169 -1.013 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.067 -2.190 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.266 -2.995 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.334 -2.324 0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.650 -1.026 -1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.358 -0.094 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.293 -0.744 -2.368 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.766 -5.068 1.158 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.654 -6.452 0.713 1.00 0.00 C ATOM 1118 C ILE A 76 -5.500 -7.162 1.413 1.00 0.00 C ATOM 1119 O ILE A 76 -5.617 -8.324 1.800 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.447 -6.538 -0.811 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.178 -5.788 -1.218 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.658 -5.978 -1.542 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.846 -5.916 -2.689 1.00 0.00 C ATOM 0 H ILE A 76 -6.071 -4.438 0.757 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.591 -6.944 0.972 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.332 -7.586 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.294 -4.733 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.340 -6.163 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.497 -6.046 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.544 -6.552 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.802 -4.935 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.934 -5.359 -2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.698 -6.967 -2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.667 -5.514 -3.283 1.00 0.00 H new ATOM 1135 N MET A 77 -4.387 -6.455 1.572 1.00 0.00 N ATOM 1136 CA MET A 77 -3.212 -7.017 2.228 1.00 0.00 C ATOM 1137 C MET A 77 -3.306 -6.856 3.742 1.00 0.00 C ATOM 1138 O MET A 77 -2.296 -6.908 4.445 1.00 0.00 O ATOM 1139 CB MET A 77 -1.940 -6.342 1.710 1.00 0.00 C ATOM 1140 CG MET A 77 -1.875 -6.250 0.194 1.00 0.00 C ATOM 1141 SD MET A 77 -2.322 -7.798 -0.615 1.00 0.00 S ATOM 1142 CE MET A 77 -0.845 -8.115 -1.579 1.00 0.00 C ATOM 0 H MET A 77 -4.273 -5.492 1.256 1.00 0.00 H new ATOM 0 HA MET A 77 -3.171 -8.081 1.995 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.874 -5.338 2.130 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.073 -6.895 2.070 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.544 -5.460 -0.147 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.866 -5.966 -0.106 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.796 -9.174 -1.832 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.874 -7.524 -2.495 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.035 -7.840 -0.998 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.523 -6.661 4.237 1.00 0.00 N ATOM 1153 CA ASP A 78 -4.748 -6.494 5.668 1.00 0.00 C ATOM 1154 C ASP A 78 -5.286 -7.780 6.288 1.00 0.00 C ATOM 1155 O ASP A 78 -6.005 -8.539 5.639 1.00 0.00 O ATOM 1156 CB ASP A 78 -5.725 -5.344 5.921 1.00 0.00 C ATOM 1157 CG ASP A 78 -6.573 -5.567 7.158 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -6.002 -5.618 8.267 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -7.808 -5.690 7.016 1.00 0.00 O ATOM 0 H ASP A 78 -5.369 -6.615 3.669 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.792 -6.259 6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.167 -4.414 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.375 -5.226 5.054 1.00 0.00 H new ATOM 1164 N MET A 79 -4.932 -8.018 7.546 1.00 0.00 N ATOM 1165 CA MET A 79 -5.379 -9.212 8.253 1.00 0.00 C ATOM 1166 C MET A 79 -5.280 -10.443 7.357 1.00 0.00 C ATOM 1167 O MET A 79 -6.128 -11.334 7.415 1.00 0.00 O ATOM 1168 CB MET A 79 -6.819 -9.035 8.738 1.00 0.00 C ATOM 1169 CG MET A 79 -6.921 -8.449 10.137 1.00 0.00 C ATOM 1170 SD MET A 79 -8.522 -7.681 10.454 1.00 0.00 S ATOM 1171 CE MET A 79 -8.053 -5.956 10.566 1.00 0.00 C ATOM 0 H MET A 79 -4.337 -7.400 8.097 1.00 0.00 H new ATOM 0 HA MET A 79 -4.728 -9.358 9.115 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.351 -8.387 8.042 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.321 -10.002 8.721 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.749 -9.237 10.870 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.133 -7.708 10.275 1.00 0.00 H new ATOM 0 HE1 MET A 79 -8.687 -5.453 11.296 1.00 0.00 H new ATOM 0 HE2 MET A 79 -7.011 -5.882 10.878 1.00 0.00 H new ATOM 0 HE3 MET A 79 -8.175 -5.482 9.592 1.00 0.00 H new ATOM 1181 N ILE A 80 -4.241 -10.485 6.530 1.00 0.00 N ATOM 1182 CA ILE A 80 -4.032 -11.607 5.624 1.00 0.00 C ATOM 1183 C ILE A 80 -3.350 -12.770 6.336 1.00 0.00 C ATOM 1184 O ILE A 80 -2.663 -12.581 7.340 1.00 0.00 O ATOM 1185 CB ILE A 80 -3.184 -11.197 4.406 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -4.048 -10.460 3.380 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.533 -12.420 3.777 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.457 -10.451 1.987 1.00 0.00 C ATOM 0 H ILE A 80 -3.531 -9.755 6.469 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.017 -11.922 5.281 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.396 -10.523 4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.033 -10.926 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.193 -9.432 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.937 -12.113 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.889 -12.907 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.306 -13.117 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.123 -9.912 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.485 -9.959 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.338 -11.476 1.636 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.541 -13.974 5.808 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.942 -15.169 6.390 1.00 0.00 C ATOM 1202 C LYS A 81 -1.856 -15.733 5.479 1.00 0.00 C ATOM 1203 O LYS A 81 -2.133 -16.547 4.597 1.00 0.00 O ATOM 1204 CB LYS A 81 -4.014 -16.232 6.641 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.655 -16.136 8.015 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.222 -17.474 8.460 1.00 0.00 C ATOM 1207 CE LYS A 81 -5.702 -17.424 9.903 1.00 0.00 C ATOM 1208 NZ LYS A 81 -5.821 -18.784 10.496 1.00 0.00 N ATOM 0 H LYS A 81 -4.107 -14.148 4.977 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.486 -14.890 7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.789 -16.141 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.568 -17.220 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.916 -15.794 8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.450 -15.391 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.051 -17.754 7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.460 -18.246 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.008 -16.829 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.669 -16.923 9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.151 -18.706 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.503 -19.344 9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.893 -19.253 10.478 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.621 -15.296 5.698 1.00 0.00 N ATOM 1223 CA LEU A 82 0.507 -15.759 4.897 1.00 0.00 C ATOM 1224 C LEU A 82 1.347 -16.769 5.671 1.00 0.00 C ATOM 1225 O LEU A 82 1.500 -16.662 6.888 1.00 0.00 O ATOM 1226 CB LEU A 82 1.377 -14.574 4.473 1.00 0.00 C ATOM 1227 CG LEU A 82 2.547 -14.898 3.544 1.00 0.00 C ATOM 1228 CD1 LEU A 82 2.043 -15.228 2.147 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.530 -13.737 3.498 1.00 0.00 C ATOM 0 H LEU A 82 -0.375 -14.622 6.423 1.00 0.00 H new ATOM 0 HA LEU A 82 0.112 -16.249 4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.740 -13.840 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.773 -14.100 5.371 1.00 0.00 H new ATOM 0 HG LEU A 82 3.067 -15.772 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.889 -15.456 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.379 -16.091 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.499 -14.373 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.356 -13.986 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.023 -12.845 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.916 -13.547 4.500 1.00 0.00 H new ATOM 1241 N TYR A 83 1.890 -17.750 4.958 1.00 0.00 N ATOM 1242 CA TYR A 83 2.714 -18.780 5.578 1.00 0.00 C ATOM 1243 C TYR A 83 2.396 -18.911 7.065 1.00 0.00 C ATOM 1244 O TYR A 83 3.283 -18.812 7.912 1.00 0.00 O ATOM 1245 CB TYR A 83 4.197 -18.458 5.389 1.00 0.00 C ATOM 1246 CG TYR A 83 4.545 -18.004 3.989 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.217 -18.779 2.884 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.200 -16.798 3.772 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.533 -18.368 1.604 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.518 -16.377 2.495 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.184 -17.166 1.415 1.00 0.00 C ATOM 1252 OH TYR A 83 5.499 -16.752 0.141 1.00 0.00 O ATOM 0 H TYR A 83 1.774 -17.853 3.950 1.00 0.00 H new ATOM 0 HA TYR A 83 2.490 -19.730 5.092 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.484 -17.680 6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.786 -19.342 5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.706 -19.719 3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.465 -16.179 4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.272 -18.984 0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.025 -15.436 2.344 1.00 0.00 H new ATOM 0 HH TYR A 83 4.837 -17.104 -0.490 1.00 0.00 H new ATOM 1262 N GLY A 84 1.122 -19.135 7.373 1.00 0.00 N ATOM 1263 CA GLY A 84 0.708 -19.276 8.757 1.00 0.00 C ATOM 1264 C GLY A 84 1.148 -18.107 9.616 1.00 0.00 C ATOM 1265 O GLY A 84 1.940 -18.272 10.544 1.00 0.00 O ATOM 0 H GLY A 84 0.370 -19.221 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.377 -19.367 8.801 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.122 -20.198 9.165 1.00 0.00 H new ATOM 1269 N LYS A 85 0.635 -16.921 9.307 1.00 0.00 N ATOM 1270 CA LYS A 85 0.979 -15.719 10.057 1.00 0.00 C ATOM 1271 C LYS A 85 0.074 -14.556 9.665 1.00 0.00 C ATOM 1272 O LYS A 85 0.164 -14.011 8.564 1.00 0.00 O ATOM 1273 CB LYS A 85 2.443 -15.344 9.815 1.00 0.00 C ATOM 1274 CG LYS A 85 3.406 -15.992 10.795 1.00 0.00 C ATOM 1275 CD LYS A 85 4.651 -15.144 10.996 1.00 0.00 C ATOM 1276 CE LYS A 85 5.413 -15.560 12.245 1.00 0.00 C ATOM 1277 NZ LYS A 85 6.017 -16.914 12.101 1.00 0.00 N ATOM 0 H LYS A 85 -0.021 -16.766 8.542 1.00 0.00 H new ATOM 0 HA LYS A 85 0.834 -15.928 11.117 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.721 -15.632 8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.547 -14.261 9.878 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.907 -16.140 11.753 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.691 -16.978 10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.300 -15.236 10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.369 -14.094 11.073 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.198 -14.832 12.451 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.739 -15.552 13.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.496 -17.592 12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.966 -17.213 11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.012 -16.884 12.403 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.819 -14.163 10.585 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.757 -13.059 10.358 1.00 0.00 C ATOM 1293 C PRO A 86 -1.057 -11.705 10.317 1.00 0.00 C ATOM 1294 O PRO A 86 -1.002 -10.994 11.321 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.697 -13.139 11.563 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.894 -13.804 12.627 1.00 0.00 C ATOM 1297 CD PRO A 86 -0.983 -14.767 11.918 1.00 0.00 C ATOM 0 HA PRO A 86 -2.265 -13.146 9.398 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.025 -12.148 11.876 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.594 -13.712 11.328 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.321 -13.073 13.198 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.539 -14.326 13.334 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.028 -14.870 12.433 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.421 -15.763 11.857 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.525 -11.354 9.152 1.00 0.00 N ATOM 1306 CA ILE A 87 0.169 -10.083 8.981 1.00 0.00 C ATOM 1307 C ILE A 87 -0.753 -8.908 9.286 1.00 0.00 C ATOM 1308 O ILE A 87 -1.970 -9.069 9.383 1.00 0.00 O ATOM 1309 CB ILE A 87 0.720 -9.931 7.551 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.429 -9.824 6.546 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.626 -11.103 7.205 1.00 0.00 C ATOM 1312 CD1 ILE A 87 -0.005 -9.284 5.199 1.00 0.00 C ATOM 0 H ILE A 87 -0.561 -11.931 8.312 1.00 0.00 H new ATOM 0 HA ILE A 87 1.001 -10.081 9.685 1.00 0.00 H new ATOM 0 HB ILE A 87 1.308 -9.015 7.500 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.874 -10.809 6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.204 -9.178 6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.008 -10.981 6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.461 -11.137 7.905 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.060 -12.032 7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.870 -9.236 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.413 -8.285 5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.748 -9.941 4.764 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.165 -7.725 9.435 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.934 -6.522 9.729 1.00 0.00 C ATOM 1326 C ARG A 88 -0.445 -5.346 8.888 1.00 0.00 C ATOM 1327 O ARG A 88 0.680 -4.874 9.056 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.833 -6.176 11.216 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.288 -7.299 12.134 1.00 0.00 C ATOM 1330 CD ARG A 88 -2.800 -7.459 12.110 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.457 -6.605 13.096 1.00 0.00 N ATOM 1332 CZ ARG A 88 -3.876 -5.371 12.837 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -3.708 -4.850 11.629 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -4.465 -4.656 13.787 1.00 0.00 N ATOM 0 H ARG A 88 0.841 -7.574 9.357 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.977 -6.718 9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.200 -5.921 11.452 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.434 -5.289 11.416 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.817 -8.233 11.829 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.959 -7.094 13.153 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.174 -7.218 11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.057 -8.500 12.304 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.602 -6.976 14.035 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.256 -5.397 10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.031 -3.902 11.433 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.596 -5.054 14.717 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.786 -3.709 13.587 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.299 -4.877 7.983 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.954 -3.756 7.117 1.00 0.00 C ATOM 1350 C VAL A 89 -1.688 -2.488 7.540 1.00 0.00 C ATOM 1351 O VAL A 89 -2.874 -2.525 7.866 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.288 -4.062 5.644 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.081 -2.826 4.782 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.446 -5.223 5.138 1.00 0.00 C ATOM 0 H VAL A 89 -2.234 -5.256 7.831 1.00 0.00 H new ATOM 0 HA VAL A 89 0.120 -3.600 7.214 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.338 -4.349 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.322 -3.061 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.731 -2.025 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.041 -2.505 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.695 -5.426 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.611 -4.967 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.650 -6.109 5.739 1.00 0.00 H new ATOM 1364 N ASN A 90 -0.974 -1.367 7.532 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.557 -0.087 7.915 1.00 0.00 C ATOM 1366 C ASN A 90 -0.732 1.073 7.366 1.00 0.00 C ATOM 1367 O ASN A 90 0.460 0.928 7.095 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.655 0.017 9.438 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.034 -1.301 10.085 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -1.256 -2.255 10.079 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -3.236 -1.360 10.647 1.00 0.00 N ATOM 0 H ASN A 90 0.009 -1.319 7.264 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.559 -0.030 7.489 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.699 0.353 9.839 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.395 0.773 9.701 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.547 -2.221 11.097 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.848 -0.544 10.628 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.375 2.225 7.205 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.701 3.412 6.691 1.00 0.00 C ATOM 1380 C LYS A 91 0.589 3.681 7.459 1.00 0.00 C ATOM 1381 O LYS A 91 0.571 3.868 8.675 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.626 4.628 6.783 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.644 4.705 5.659 1.00 0.00 C ATOM 1384 CD LYS A 91 -1.983 5.034 4.331 1.00 0.00 C ATOM 1385 CE LYS A 91 -3.002 5.503 3.303 1.00 0.00 C ATOM 1386 NZ LYS A 91 -2.348 6.006 2.063 1.00 0.00 N ATOM 0 H LYS A 91 -2.362 2.362 7.423 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.449 3.233 5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.152 4.602 7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.021 5.535 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.171 3.754 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.390 5.465 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.231 5.809 4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.463 4.153 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.671 4.679 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.617 6.292 3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.987 5.870 1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.135 7.018 2.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.465 5.482 1.899 1.00 0.00 H new ATOM 1400 N ALA A 92 1.707 3.700 6.740 1.00 0.00 N ATOM 1401 CA ALA A 92 3.005 3.949 7.354 1.00 0.00 C ATOM 1402 C ALA A 92 3.014 5.282 8.096 1.00 0.00 C ATOM 1403 O ALA A 92 2.065 6.060 8.006 1.00 0.00 O ATOM 1404 CB ALA A 92 4.101 3.923 6.299 1.00 0.00 C ATOM 0 H ALA A 92 1.739 3.546 5.732 1.00 0.00 H new ATOM 0 HA ALA A 92 3.195 3.158 8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.065 4.110 6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.118 2.946 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.906 4.694 5.553 1.00 0.00 H new