USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 761 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 102 GLN : amide:sc= 0.337 K(o=1.1,f=-3.3) USER MOD Set 1.2: A 147 ASN : amide:sc= 0.754 K(o=1.1,f=-2.6!) USER MOD Set 2.1: A 80 CYS SG : rot -87:sc= 0.638 USER MOD Set 2.2: A 82 THR OG1 : rot 153:sc= 0.887 USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0.0183 USER MOD Set 3.2: A 35 SER OG : rot -93:sc= 0.014 USER MOD Single : A 19 THR OG1 : rot -34:sc= 0.0642 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.19) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc=-0.00567 X(o=-0.0057,f=0.34) USER MOD Single : A 38 MET CE :methyl -177:sc= 0 (180deg=-0.0143) USER MOD Single : A 41 THR OG1 : rot -63:sc= 1.92 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.594 K(o=0.59,f=-3!) USER MOD Single : A 59 TYR OH : rot -179:sc= 0.329 USER MOD Single : A 61 CYS SG : rot -168:sc= -0.0966 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0583 K(o=-0.058,f=-1.4) USER MOD Single : A 73 SER OG : rot 40:sc= 0.869 USER MOD Single : A 76 SER OG : rot 150:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0.767 K(o=0.77,f=-1.8!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot -170:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 1.25 K(o=1.2,f=-0.0075) USER MOD Single : A 105 MET CE :methyl -118:sc= -0.0191 (180deg=-0.256) USER MOD Single : A 140 HIS : no HD1:sc= -0.509 K(o=-0.51,f=-1.4) USER MOD Single : A 143 CYS SG : rot 178:sc= -0.0537 USER MOD Single : A 145 ASN : amide:sc= 0.779 K(o=0.78,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.026 0.436 -11.752 1.00 0.00 N ATOM 234 CA THR A 19 6.321 1.711 -11.479 1.00 0.00 C ATOM 235 C THR A 19 4.840 1.565 -11.136 1.00 0.00 C ATOM 236 O THR A 19 4.293 2.457 -10.490 1.00 0.00 O ATOM 237 CB THR A 19 6.485 2.713 -12.629 1.00 0.00 C ATOM 238 OG1 THR A 19 5.958 2.157 -13.815 1.00 0.00 O ATOM 239 CG2 THR A 19 7.945 3.098 -12.876 1.00 0.00 C ATOM 0 HA THR A 19 6.810 2.093 -10.583 1.00 0.00 H new ATOM 0 HB THR A 19 5.946 3.616 -12.343 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.118 1.190 -13.822 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.999 3.809 -13.701 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.358 3.554 -11.976 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.519 2.206 -13.127 1.00 0.00 H new ATOM 247 N LYS A 20 4.202 0.449 -11.502 1.00 0.00 N ATOM 248 CA LYS A 20 2.854 0.063 -11.059 1.00 0.00 C ATOM 249 C LYS A 20 2.946 -0.934 -9.888 1.00 0.00 C ATOM 250 O LYS A 20 3.760 -1.859 -9.920 1.00 0.00 O ATOM 251 CB LYS A 20 2.066 -0.587 -12.216 1.00 0.00 C ATOM 252 CG LYS A 20 1.379 0.352 -13.221 1.00 0.00 C ATOM 253 CD LYS A 20 2.327 1.278 -14.003 1.00 0.00 C ATOM 254 CE LYS A 20 1.896 1.480 -15.469 1.00 0.00 C ATOM 255 NZ LYS A 20 0.522 2.030 -15.600 1.00 0.00 N ATOM 0 H LYS A 20 4.620 -0.233 -12.134 1.00 0.00 H new ATOM 0 HA LYS A 20 2.333 0.964 -10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.750 -1.230 -12.770 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.302 -1.233 -11.782 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.817 -0.252 -13.933 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.656 0.967 -12.685 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.371 2.247 -13.506 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.334 0.862 -13.980 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.599 2.153 -15.959 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.951 0.526 -15.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.320 2.223 -16.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.165 1.339 -15.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.448 2.913 -15.055 1.00 0.00 H new ATOM 269 N PHE A 21 2.068 -0.799 -8.891 1.00 0.00 N ATOM 270 CA PHE A 21 2.010 -1.669 -7.712 1.00 0.00 C ATOM 271 C PHE A 21 0.560 -1.929 -7.296 1.00 0.00 C ATOM 272 O PHE A 21 -0.212 -0.999 -7.070 1.00 0.00 O ATOM 273 CB PHE A 21 2.813 -1.031 -6.564 1.00 0.00 C ATOM 274 CG PHE A 21 4.302 -0.908 -6.833 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.157 -1.999 -6.583 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.833 0.291 -7.348 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.536 -1.890 -6.841 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.210 0.397 -7.609 1.00 0.00 C ATOM 279 CZ PHE A 21 7.063 -0.691 -7.354 1.00 0.00 C ATOM 0 H PHE A 21 1.360 -0.064 -8.880 1.00 0.00 H new ATOM 0 HA PHE A 21 2.454 -2.633 -7.958 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.409 -0.039 -6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.667 -1.624 -5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.753 -2.921 -6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.181 1.130 -7.543 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.190 -2.727 -6.645 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.614 1.316 -8.006 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.121 -0.606 -7.552 1.00 0.00 H new ATOM 289 N LYS A 22 0.182 -3.202 -7.171 1.00 0.00 N ATOM 290 CA LYS A 22 -1.125 -3.609 -6.640 1.00 0.00 C ATOM 291 C LYS A 22 -1.228 -3.215 -5.152 1.00 0.00 C ATOM 292 O LYS A 22 -0.325 -3.517 -4.368 1.00 0.00 O ATOM 293 CB LYS A 22 -1.314 -5.131 -6.826 1.00 0.00 C ATOM 294 CG LYS A 22 -1.794 -5.578 -8.220 1.00 0.00 C ATOM 295 CD LYS A 22 -0.895 -5.130 -9.386 1.00 0.00 C ATOM 296 CE LYS A 22 -1.185 -5.872 -10.704 1.00 0.00 C ATOM 297 NZ LYS A 22 -2.579 -5.672 -11.191 1.00 0.00 N ATOM 0 H LYS A 22 0.777 -3.987 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.918 -3.097 -7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.366 -5.625 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.031 -5.483 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.866 -6.666 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.799 -5.190 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.025 -4.059 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.148 -5.287 -9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.487 -5.530 -11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.005 -6.938 -10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.715 -6.195 -12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.250 -6.023 -10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.747 -4.659 -11.356 1.00 0.00 H new ATOM 311 N VAL A 23 -2.318 -2.549 -4.769 1.00 0.00 N ATOM 312 CA VAL A 23 -2.543 -2.026 -3.405 1.00 0.00 C ATOM 313 C VAL A 23 -3.989 -2.245 -2.953 1.00 0.00 C ATOM 314 O VAL A 23 -4.905 -2.194 -3.773 1.00 0.00 O ATOM 315 CB VAL A 23 -2.181 -0.524 -3.280 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.668 -0.274 -3.401 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.937 0.389 -4.261 1.00 0.00 C ATOM 0 H VAL A 23 -3.090 -2.350 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.876 -2.589 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.507 -0.255 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.467 0.793 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.146 -0.813 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.318 -0.625 -4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.627 1.423 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.711 0.089 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.009 0.303 -4.086 1.00 0.00 H new ATOM 327 N THR A 24 -4.195 -2.454 -1.646 1.00 0.00 N ATOM 328 CA THR A 24 -5.521 -2.634 -1.032 1.00 0.00 C ATOM 329 C THR A 24 -5.718 -1.565 0.031 1.00 0.00 C ATOM 330 O THR A 24 -5.004 -1.557 1.030 1.00 0.00 O ATOM 331 CB THR A 24 -5.646 -4.035 -0.424 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.359 -4.994 -1.422 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.066 -4.288 0.091 1.00 0.00 C ATOM 0 H THR A 24 -3.432 -2.504 -0.971 1.00 0.00 H new ATOM 0 HA THR A 24 -6.294 -2.534 -1.794 1.00 0.00 H new ATOM 0 HB THR A 24 -4.948 -4.112 0.409 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.435 -5.894 -1.042 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.125 -5.290 0.517 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.312 -3.553 0.857 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.773 -4.202 -0.734 1.00 0.00 H new ATOM 341 N ASN A 25 -6.676 -0.660 -0.167 1.00 0.00 N ATOM 342 CA ASN A 25 -7.020 0.364 0.823 1.00 0.00 C ATOM 343 C ASN A 25 -7.785 -0.262 2.003 1.00 0.00 C ATOM 344 O ASN A 25 -8.647 -1.124 1.800 1.00 0.00 O ATOM 345 CB ASN A 25 -7.825 1.488 0.150 1.00 0.00 C ATOM 346 CG ASN A 25 -8.090 2.671 1.085 1.00 0.00 C ATOM 347 OD1 ASN A 25 -9.225 3.059 1.326 1.00 0.00 O ATOM 348 ND2 ASN A 25 -7.061 3.282 1.647 1.00 0.00 N ATOM 0 H ASN A 25 -7.236 -0.615 -1.018 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.106 0.800 1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.284 1.840 -0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.776 1.088 -0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.217 4.070 2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.111 2.965 1.452 1.00 0.00 H new ATOM 355 N VAL A 26 -7.472 0.169 3.229 1.00 0.00 N ATOM 356 CA VAL A 26 -8.002 -0.428 4.467 1.00 0.00 C ATOM 357 C VAL A 26 -8.450 0.630 5.476 1.00 0.00 C ATOM 358 O VAL A 26 -7.954 1.757 5.468 1.00 0.00 O ATOM 359 CB VAL A 26 -7.005 -1.407 5.130 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.734 -2.636 4.250 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.660 -0.759 5.511 1.00 0.00 C ATOM 0 H VAL A 26 -6.837 0.950 3.396 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.878 -1.000 4.161 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.499 -1.716 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.029 -3.296 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.668 -3.170 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.313 -2.315 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.013 -1.506 5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.180 -0.364 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.834 0.053 6.217 1.00 0.00 H new ATOM 371 N ASP A 27 -9.393 0.250 6.342 1.00 0.00 N ATOM 372 CA ASP A 27 -9.911 1.099 7.419 1.00 0.00 C ATOM 373 C ASP A 27 -9.017 1.108 8.681 1.00 0.00 C ATOM 374 O ASP A 27 -7.944 0.504 8.721 1.00 0.00 O ATOM 375 CB ASP A 27 -11.378 0.728 7.724 1.00 0.00 C ATOM 376 CG ASP A 27 -11.596 -0.524 8.589 1.00 0.00 C ATOM 377 OD1 ASP A 27 -10.661 -1.351 8.725 1.00 0.00 O ATOM 378 OD2 ASP A 27 -12.706 -0.667 9.142 1.00 0.00 O ATOM 0 H ASP A 27 -9.826 -0.673 6.314 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.887 2.130 7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.849 1.575 8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.899 0.585 6.777 1.00 0.00 H new ATOM 383 N ASP A 28 -9.488 1.780 9.736 1.00 0.00 N ATOM 384 CA ASP A 28 -8.821 1.895 11.044 1.00 0.00 C ATOM 385 C ASP A 28 -8.654 0.549 11.791 1.00 0.00 C ATOM 386 O ASP A 28 -7.878 0.461 12.744 1.00 0.00 O ATOM 387 CB ASP A 28 -9.640 2.886 11.883 1.00 0.00 C ATOM 388 CG ASP A 28 -8.955 3.303 13.196 1.00 0.00 C ATOM 389 OD1 ASP A 28 -7.884 3.950 13.132 1.00 0.00 O ATOM 390 OD2 ASP A 28 -9.524 3.029 14.280 1.00 0.00 O ATOM 0 H ASP A 28 -10.377 2.279 9.705 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.802 2.245 10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.835 3.777 11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.607 2.439 12.115 1.00 0.00 H new ATOM 395 N GLU A 29 -9.347 -0.503 11.340 1.00 0.00 N ATOM 396 CA GLU A 29 -9.275 -1.876 11.857 1.00 0.00 C ATOM 397 C GLU A 29 -8.569 -2.843 10.879 1.00 0.00 C ATOM 398 O GLU A 29 -8.451 -4.039 11.160 1.00 0.00 O ATOM 399 CB GLU A 29 -10.694 -2.374 12.197 1.00 0.00 C ATOM 400 CG GLU A 29 -11.332 -1.594 13.354 1.00 0.00 C ATOM 401 CD GLU A 29 -12.673 -2.218 13.773 1.00 0.00 C ATOM 402 OE1 GLU A 29 -12.667 -3.247 14.492 1.00 0.00 O ATOM 403 OE2 GLU A 29 -13.743 -1.673 13.411 1.00 0.00 O ATOM 0 H GLU A 29 -10.006 -0.416 10.566 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.668 -1.860 12.762 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.327 -2.288 11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.651 -3.432 12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.652 -1.581 14.206 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.488 -0.558 13.055 1.00 0.00 H new ATOM 410 N GLY A 30 -8.081 -2.346 9.734 1.00 0.00 N ATOM 411 CA GLY A 30 -7.358 -3.119 8.718 1.00 0.00 C ATOM 412 C GLY A 30 -8.251 -3.928 7.769 1.00 0.00 C ATOM 413 O GLY A 30 -7.734 -4.794 7.064 1.00 0.00 O ATOM 0 H GLY A 30 -8.183 -1.363 9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.749 -2.435 8.127 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.673 -3.802 9.221 1.00 0.00 H new ATOM 417 N VAL A 31 -9.559 -3.666 7.736 1.00 0.00 N ATOM 418 CA VAL A 31 -10.540 -4.368 6.889 1.00 0.00 C ATOM 419 C VAL A 31 -10.382 -3.912 5.437 1.00 0.00 C ATOM 420 O VAL A 31 -10.325 -2.714 5.172 1.00 0.00 O ATOM 421 CB VAL A 31 -11.995 -4.127 7.364 1.00 0.00 C ATOM 422 CG1 VAL A 31 -13.017 -4.887 6.499 1.00 0.00 C ATOM 423 CG2 VAL A 31 -12.181 -4.569 8.828 1.00 0.00 C ATOM 0 H VAL A 31 -9.983 -2.939 8.313 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.344 -5.437 6.967 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.172 -3.056 7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.024 -4.690 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.937 -4.554 5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.815 -5.957 6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.211 -4.388 9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.957 -5.632 8.919 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.507 -4.000 9.468 1.00 0.00 H new ATOM 433 N GLU A 32 -10.320 -4.870 4.508 1.00 0.00 N ATOM 434 CA GLU A 32 -10.176 -4.635 3.065 1.00 0.00 C ATOM 435 C GLU A 32 -11.423 -3.934 2.493 1.00 0.00 C ATOM 436 O GLU A 32 -12.515 -4.510 2.465 1.00 0.00 O ATOM 437 CB GLU A 32 -9.915 -5.968 2.339 1.00 0.00 C ATOM 438 CG GLU A 32 -8.611 -6.657 2.773 1.00 0.00 C ATOM 439 CD GLU A 32 -8.469 -8.028 2.092 1.00 0.00 C ATOM 440 OE1 GLU A 32 -9.021 -9.026 2.615 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.801 -8.124 1.035 1.00 0.00 O ATOM 0 H GLU A 32 -10.370 -5.861 4.744 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.323 -3.976 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.751 -6.642 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.881 -5.787 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.759 -6.028 2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.602 -6.780 3.856 1.00 0.00 H new ATOM 448 N LEU A 33 -11.259 -2.688 2.031 1.00 0.00 N ATOM 449 CA LEU A 33 -12.350 -1.855 1.501 1.00 0.00 C ATOM 450 C LEU A 33 -12.473 -1.986 -0.019 1.00 0.00 C ATOM 451 O LEU A 33 -13.560 -2.236 -0.548 1.00 0.00 O ATOM 452 CB LEU A 33 -12.099 -0.385 1.887 1.00 0.00 C ATOM 453 CG LEU A 33 -12.029 -0.120 3.401 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.688 1.355 3.604 1.00 0.00 C ATOM 455 CD2 LEU A 33 -13.346 -0.482 4.101 1.00 0.00 C ATOM 0 H LEU A 33 -10.352 -2.222 2.014 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.288 -2.199 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.164 -0.059 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.893 0.229 1.461 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.260 -0.750 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.632 1.572 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.727 1.574 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.461 1.973 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.258 -0.281 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.156 0.117 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.561 -1.539 3.947 1.00 0.00 H new ATOM 467 N GLY A 34 -11.343 -1.825 -0.706 1.00 0.00 N ATOM 468 CA GLY A 34 -11.205 -1.946 -2.159 1.00 0.00 C ATOM 469 C GLY A 34 -9.748 -1.987 -2.601 1.00 0.00 C ATOM 470 O GLY A 34 -8.858 -1.540 -1.875 1.00 0.00 O ATOM 0 H GLY A 34 -10.461 -1.597 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.710 -2.852 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.705 -1.105 -2.640 1.00 0.00 H new ATOM 474 N SER A 35 -9.501 -2.496 -3.803 1.00 0.00 N ATOM 475 CA SER A 35 -8.146 -2.726 -4.323 1.00 0.00 C ATOM 476 C SER A 35 -7.937 -2.023 -5.671 1.00 0.00 C ATOM 477 O SER A 35 -8.815 -2.026 -6.540 1.00 0.00 O ATOM 478 CB SER A 35 -7.853 -4.228 -4.445 1.00 0.00 C ATOM 479 OG SER A 35 -8.128 -4.925 -3.237 1.00 0.00 O ATOM 0 H SER A 35 -10.238 -2.765 -4.454 1.00 0.00 H new ATOM 0 HA SER A 35 -7.443 -2.296 -3.609 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.453 -4.650 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.807 -4.372 -4.717 1.00 0.00 H new ATOM 0 HG SER A 35 -7.310 -4.985 -2.700 1.00 0.00 H new ATOM 485 N GLY A 36 -6.767 -1.400 -5.827 1.00 0.00 N ATOM 486 CA GLY A 36 -6.365 -0.595 -6.980 1.00 0.00 C ATOM 487 C GLY A 36 -4.915 -0.826 -7.390 1.00 0.00 C ATOM 488 O GLY A 36 -4.196 -1.628 -6.784 1.00 0.00 O ATOM 0 H GLY A 36 -6.038 -1.446 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.017 -0.826 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.507 0.460 -6.747 1.00 0.00 H new ATOM 492 N VAL A 37 -4.487 -0.090 -8.414 1.00 0.00 N ATOM 493 CA VAL A 37 -3.095 -0.084 -8.895 1.00 0.00 C ATOM 494 C VAL A 37 -2.510 1.308 -8.689 1.00 0.00 C ATOM 495 O VAL A 37 -2.924 2.273 -9.330 1.00 0.00 O ATOM 496 CB VAL A 37 -2.978 -0.531 -10.369 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.511 -0.531 -10.832 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.551 -1.947 -10.554 1.00 0.00 C ATOM 0 H VAL A 37 -5.100 0.529 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.525 -0.812 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.547 0.179 -10.969 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.458 -0.850 -11.873 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.100 0.474 -10.739 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.934 -1.218 -10.213 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.459 -2.243 -11.599 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.998 -2.648 -9.928 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.602 -1.955 -10.266 1.00 0.00 H new ATOM 508 N MET A 38 -1.536 1.403 -7.788 1.00 0.00 N ATOM 509 CA MET A 38 -0.791 2.626 -7.502 1.00 0.00 C ATOM 510 C MET A 38 0.313 2.808 -8.547 1.00 0.00 C ATOM 511 O MET A 38 1.001 1.854 -8.902 1.00 0.00 O ATOM 512 CB MET A 38 -0.245 2.542 -6.070 1.00 0.00 C ATOM 513 CG MET A 38 0.366 3.868 -5.608 1.00 0.00 C ATOM 514 SD MET A 38 0.813 3.910 -3.853 1.00 0.00 S ATOM 515 CE MET A 38 -0.825 4.133 -3.109 1.00 0.00 C ATOM 0 H MET A 38 -1.235 0.610 -7.221 1.00 0.00 H new ATOM 0 HA MET A 38 -1.434 3.504 -7.564 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.050 2.258 -5.392 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.509 1.757 -6.016 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.256 4.071 -6.203 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.343 4.671 -5.810 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.723 4.233 -2.028 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.289 5.032 -3.514 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.449 3.269 -3.337 1.00 0.00 H new ATOM 525 N GLU A 39 0.467 4.030 -9.046 1.00 0.00 N ATOM 526 CA GLU A 39 1.406 4.410 -10.100 1.00 0.00 C ATOM 527 C GLU A 39 2.180 5.662 -9.667 1.00 0.00 C ATOM 528 O GLU A 39 1.592 6.705 -9.365 1.00 0.00 O ATOM 529 CB GLU A 39 0.607 4.644 -11.394 1.00 0.00 C ATOM 530 CG GLU A 39 1.456 5.206 -12.544 1.00 0.00 C ATOM 531 CD GLU A 39 0.605 5.404 -13.804 1.00 0.00 C ATOM 532 OE1 GLU A 39 0.038 4.406 -14.305 1.00 0.00 O ATOM 533 OE2 GLU A 39 0.479 6.549 -14.290 1.00 0.00 O ATOM 0 H GLU A 39 -0.084 4.821 -8.712 1.00 0.00 H new ATOM 0 HA GLU A 39 2.137 3.622 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.159 3.702 -11.710 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.212 5.333 -11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.897 6.157 -12.245 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.280 4.526 -12.760 1.00 0.00 H new ATOM 540 N LEU A 40 3.510 5.574 -9.653 1.00 0.00 N ATOM 541 CA LEU A 40 4.399 6.679 -9.305 1.00 0.00 C ATOM 542 C LEU A 40 5.018 7.210 -10.606 1.00 0.00 C ATOM 543 O LEU A 40 5.824 6.520 -11.240 1.00 0.00 O ATOM 544 CB LEU A 40 5.453 6.189 -8.291 1.00 0.00 C ATOM 545 CG LEU A 40 4.977 6.178 -6.822 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.931 5.103 -6.492 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.182 5.966 -5.899 1.00 0.00 C ATOM 0 H LEU A 40 4.008 4.715 -9.888 1.00 0.00 H new ATOM 0 HA LEU A 40 3.863 7.497 -8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.761 5.181 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.335 6.825 -8.368 1.00 0.00 H new ATOM 0 HG LEU A 40 4.497 7.144 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.658 5.172 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.045 5.256 -7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.347 4.116 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.848 5.958 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.658 5.014 -6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.898 6.775 -6.044 1.00 0.00 H new ATOM 559 N THR A 41 4.612 8.419 -11.019 1.00 0.00 N ATOM 560 CA THR A 41 5.113 9.097 -12.231 1.00 0.00 C ATOM 561 C THR A 41 6.264 10.037 -11.883 1.00 0.00 C ATOM 562 O THR A 41 6.541 10.282 -10.711 1.00 0.00 O ATOM 563 CB THR A 41 3.998 9.848 -12.978 1.00 0.00 C ATOM 564 OG1 THR A 41 3.658 11.019 -12.277 1.00 0.00 O ATOM 565 CG2 THR A 41 2.731 9.017 -13.182 1.00 0.00 C ATOM 0 H THR A 41 3.914 8.966 -10.514 1.00 0.00 H new ATOM 0 HA THR A 41 5.484 8.325 -12.905 1.00 0.00 H new ATOM 0 HB THR A 41 4.399 10.079 -13.965 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.292 10.780 -11.400 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.988 9.611 -13.715 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.970 8.127 -13.764 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.330 8.720 -12.213 1.00 0.00 H new ATOM 573 N GLN A 42 6.903 10.620 -12.898 1.00 0.00 N ATOM 574 CA GLN A 42 7.905 11.678 -12.713 1.00 0.00 C ATOM 575 C GLN A 42 7.275 13.049 -12.376 1.00 0.00 C ATOM 576 O GLN A 42 8.004 14.011 -12.136 1.00 0.00 O ATOM 577 CB GLN A 42 8.815 11.757 -13.953 1.00 0.00 C ATOM 578 CG GLN A 42 9.662 10.484 -14.147 1.00 0.00 C ATOM 579 CD GLN A 42 10.592 10.544 -15.366 1.00 0.00 C ATOM 580 OE1 GLN A 42 10.994 11.599 -15.847 1.00 0.00 O ATOM 581 NE2 GLN A 42 10.973 9.412 -15.924 1.00 0.00 N ATOM 0 H GLN A 42 6.742 10.374 -13.875 1.00 0.00 H new ATOM 0 HA GLN A 42 8.511 11.413 -11.847 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.202 11.920 -14.839 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.476 12.619 -13.860 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.261 10.316 -13.252 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.996 9.627 -14.250 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.652 8.522 -15.543 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.589 9.426 -16.737 1.00 0.00 H new ATOM 590 N SER A 43 5.941 13.159 -12.326 1.00 0.00 N ATOM 591 CA SER A 43 5.221 14.415 -12.049 1.00 0.00 C ATOM 592 C SER A 43 4.491 14.412 -10.694 1.00 0.00 C ATOM 593 O SER A 43 4.524 15.416 -9.978 1.00 0.00 O ATOM 594 CB SER A 43 4.203 14.691 -13.168 1.00 0.00 C ATOM 595 OG SER A 43 4.835 14.844 -14.435 1.00 0.00 O ATOM 0 H SER A 43 5.319 12.366 -12.479 1.00 0.00 H new ATOM 0 HA SER A 43 5.975 15.201 -12.008 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.486 13.872 -13.217 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.640 15.594 -12.932 1.00 0.00 H new ATOM 0 HG SER A 43 4.156 15.016 -15.121 1.00 0.00 H new ATOM 601 N GLU A 44 3.835 13.302 -10.334 1.00 0.00 N ATOM 602 CA GLU A 44 3.006 13.140 -9.131 1.00 0.00 C ATOM 603 C GLU A 44 2.663 11.662 -8.854 1.00 0.00 C ATOM 604 O GLU A 44 2.845 10.788 -9.709 1.00 0.00 O ATOM 605 CB GLU A 44 1.732 14.007 -9.222 1.00 0.00 C ATOM 606 CG GLU A 44 0.749 13.613 -10.331 1.00 0.00 C ATOM 607 CD GLU A 44 -0.365 14.661 -10.491 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.914 15.141 -9.471 1.00 0.00 O ATOM 609 OE2 GLU A 44 -0.703 15.007 -11.647 1.00 0.00 O ATOM 0 H GLU A 44 3.869 12.453 -10.898 1.00 0.00 H new ATOM 0 HA GLU A 44 3.594 13.488 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.212 13.961 -8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.029 15.045 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.286 13.504 -11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.308 12.643 -10.101 1.00 0.00 H new ATOM 616 N LEU A 45 2.122 11.384 -7.664 1.00 0.00 N ATOM 617 CA LEU A 45 1.616 10.064 -7.288 1.00 0.00 C ATOM 618 C LEU A 45 0.206 9.893 -7.886 1.00 0.00 C ATOM 619 O LEU A 45 -0.609 10.810 -7.795 1.00 0.00 O ATOM 620 CB LEU A 45 1.602 9.956 -5.742 1.00 0.00 C ATOM 621 CG LEU A 45 2.030 8.590 -5.165 1.00 0.00 C ATOM 622 CD1 LEU A 45 1.765 8.533 -3.655 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.341 7.407 -5.843 1.00 0.00 C ATOM 0 H LEU A 45 2.023 12.081 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 45 2.253 9.269 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.260 10.724 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.595 10.180 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 45 3.098 8.503 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.074 7.562 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.332 9.319 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.701 8.677 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.686 6.477 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.262 7.493 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.583 7.405 -6.906 1.00 0.00 H new ATOM 635 N VAL A 46 -0.092 8.737 -8.482 1.00 0.00 N ATOM 636 CA VAL A 46 -1.379 8.404 -9.116 1.00 0.00 C ATOM 637 C VAL A 46 -1.881 7.063 -8.559 1.00 0.00 C ATOM 638 O VAL A 46 -1.089 6.212 -8.158 1.00 0.00 O ATOM 639 CB VAL A 46 -1.232 8.365 -10.663 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.573 8.100 -11.373 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.651 9.679 -11.225 1.00 0.00 C ATOM 0 H VAL A 46 0.581 7.973 -8.541 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.115 9.174 -8.884 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.545 7.542 -10.861 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.416 8.082 -12.452 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.973 7.139 -11.049 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.280 8.891 -11.122 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.566 9.605 -12.309 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.311 10.508 -10.968 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.335 9.854 -10.795 1.00 0.00 H new ATOM 651 N LEU A 47 -3.200 6.857 -8.523 1.00 0.00 N ATOM 652 CA LEU A 47 -3.833 5.618 -8.067 1.00 0.00 C ATOM 653 C LEU A 47 -5.088 5.343 -8.899 1.00 0.00 C ATOM 654 O LEU A 47 -6.049 6.116 -8.881 1.00 0.00 O ATOM 655 CB LEU A 47 -4.117 5.716 -6.552 1.00 0.00 C ATOM 656 CG LEU A 47 -4.023 4.386 -5.773 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.449 4.598 -4.314 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.872 3.259 -6.370 1.00 0.00 C ATOM 0 H LEU A 47 -3.873 7.565 -8.817 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.167 4.768 -8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.415 6.425 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.116 6.129 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.980 4.078 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.379 3.654 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.794 5.333 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.477 4.958 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.754 2.357 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.920 3.557 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.546 3.060 -7.391 1.00 0.00 H new ATOM 670 N HIS A 48 -5.057 4.234 -9.634 1.00 0.00 N ATOM 671 CA HIS A 48 -6.139 3.731 -10.476 1.00 0.00 C ATOM 672 C HIS A 48 -7.094 2.832 -9.667 1.00 0.00 C ATOM 673 O HIS A 48 -6.651 1.884 -9.005 1.00 0.00 O ATOM 674 CB HIS A 48 -5.510 2.955 -11.642 1.00 0.00 C ATOM 675 CG HIS A 48 -4.536 3.763 -12.463 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.881 4.774 -13.363 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.182 3.597 -12.477 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.721 5.181 -13.907 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.685 4.495 -13.397 1.00 0.00 N ATOM 0 H HIS A 48 -4.234 3.631 -9.660 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.732 4.562 -10.858 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.996 2.079 -11.247 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.305 2.592 -12.294 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.611 2.898 -11.883 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.634 5.956 -14.654 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.704 4.617 -13.647 1.00 0.00 H new ATOM 687 N LEU A 49 -8.396 3.124 -9.744 1.00 0.00 N ATOM 688 CA LEU A 49 -9.490 2.455 -9.028 1.00 0.00 C ATOM 689 C LEU A 49 -10.621 2.097 -10.010 1.00 0.00 C ATOM 690 O LEU A 49 -10.748 2.711 -11.071 1.00 0.00 O ATOM 691 CB LEU A 49 -10.008 3.394 -7.912 1.00 0.00 C ATOM 692 CG LEU A 49 -9.000 3.735 -6.792 1.00 0.00 C ATOM 693 CD1 LEU A 49 -9.562 4.828 -5.872 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.658 2.501 -5.945 1.00 0.00 C ATOM 0 H LEU A 49 -8.736 3.877 -10.342 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.129 1.530 -8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.338 4.325 -8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.885 2.935 -7.456 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.092 4.092 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.837 5.054 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.759 5.728 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.489 4.480 -5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.947 2.779 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.566 2.113 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.218 1.733 -6.582 1.00 0.00 H new ATOM 786 N ALA A 54 -9.979 7.605 -10.792 1.00 0.00 N ATOM 787 CA ALA A 54 -8.555 7.635 -10.438 1.00 0.00 C ATOM 788 C ALA A 54 -8.207 8.864 -9.570 1.00 0.00 C ATOM 789 O ALA A 54 -8.810 9.931 -9.724 1.00 0.00 O ATOM 790 CB ALA A 54 -7.724 7.591 -11.729 1.00 0.00 C ATOM 0 HA ALA A 54 -8.317 6.762 -9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.663 7.613 -11.480 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.950 6.675 -12.276 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.969 8.454 -12.349 1.00 0.00 H new ATOM 796 N VAL A 55 -7.226 8.725 -8.672 1.00 0.00 N ATOM 797 CA VAL A 55 -6.900 9.738 -7.645 1.00 0.00 C ATOM 798 C VAL A 55 -5.416 10.095 -7.666 1.00 0.00 C ATOM 799 O VAL A 55 -4.569 9.207 -7.699 1.00 0.00 O ATOM 800 CB VAL A 55 -7.314 9.278 -6.229 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.091 10.409 -5.211 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.800 8.887 -6.183 1.00 0.00 C ATOM 0 H VAL A 55 -6.626 7.901 -8.632 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.476 10.630 -7.893 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.699 8.413 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.387 10.069 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.037 10.686 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.691 11.275 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.061 8.568 -5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.411 9.746 -6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.983 8.070 -6.881 1.00 0.00 H new ATOM 812 N ARG A 56 -5.114 11.399 -7.646 1.00 0.00 N ATOM 813 CA ARG A 56 -3.770 11.957 -7.805 1.00 0.00 C ATOM 814 C ARG A 56 -3.349 12.830 -6.609 1.00 0.00 C ATOM 815 O ARG A 56 -4.168 13.572 -6.058 1.00 0.00 O ATOM 816 CB ARG A 56 -3.755 12.805 -9.083 1.00 0.00 C ATOM 817 CG ARG A 56 -4.119 12.023 -10.356 1.00 0.00 C ATOM 818 CD ARG A 56 -4.120 12.979 -11.551 1.00 0.00 C ATOM 819 NE ARG A 56 -4.258 12.257 -12.825 1.00 0.00 N ATOM 820 CZ ARG A 56 -4.413 12.809 -14.023 1.00 0.00 C ATOM 821 NH1 ARG A 56 -4.464 14.115 -14.194 1.00 0.00 N ATOM 822 NH2 ARG A 56 -4.521 12.040 -15.084 1.00 0.00 N ATOM 0 H ARG A 56 -5.825 12.118 -7.514 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.061 11.131 -7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.454 13.633 -8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.763 13.240 -9.207 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.403 11.218 -10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.099 11.560 -10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.938 13.692 -11.446 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.194 13.555 -11.557 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.232 11.238 -12.785 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.383 14.738 -13.390 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.584 14.503 -15.130 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.486 11.026 -14.984 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.640 12.458 -16.007 1.00 0.00 H new ATOM 836 N TRP A 57 -2.059 12.794 -6.254 1.00 0.00 N ATOM 837 CA TRP A 57 -1.450 13.596 -5.181 1.00 0.00 C ATOM 838 C TRP A 57 -0.054 14.127 -5.593 1.00 0.00 C ATOM 839 O TRP A 57 0.852 13.311 -5.798 1.00 0.00 O ATOM 840 CB TRP A 57 -1.339 12.743 -3.904 1.00 0.00 C ATOM 841 CG TRP A 57 -2.626 12.228 -3.331 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.514 12.944 -2.605 1.00 0.00 C ATOM 843 CD2 TRP A 57 -3.177 10.878 -3.408 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.571 12.138 -2.234 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.398 10.841 -2.667 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.762 9.674 -4.016 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -5.148 9.666 -2.509 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.511 8.492 -3.873 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.700 8.483 -3.121 1.00 0.00 C ATOM 0 H TRP A 57 -1.386 12.186 -6.720 1.00 0.00 H new ATOM 0 HA TRP A 57 -2.088 14.459 -4.992 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.695 11.890 -4.118 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.838 13.337 -3.139 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.412 13.989 -2.353 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.380 12.462 -1.705 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.854 9.660 -4.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -6.057 9.671 -1.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.170 7.582 -4.345 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.267 7.570 -3.014 1.00 0.00 H new ATOM 860 N PRO A 58 0.159 15.459 -5.695 1.00 0.00 N ATOM 861 CA PRO A 58 1.468 16.030 -6.004 1.00 0.00 C ATOM 862 C PRO A 58 2.442 15.803 -4.853 1.00 0.00 C ATOM 863 O PRO A 58 2.099 15.973 -3.683 1.00 0.00 O ATOM 864 CB PRO A 58 1.246 17.521 -6.264 1.00 0.00 C ATOM 865 CG PRO A 58 -0.065 17.839 -5.553 1.00 0.00 C ATOM 866 CD PRO A 58 -0.834 16.518 -5.559 1.00 0.00 C ATOM 0 HA PRO A 58 1.910 15.552 -6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.067 18.120 -5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.181 17.733 -7.331 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.110 18.192 -4.537 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.618 18.622 -6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.405 16.398 -4.638 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.547 16.489 -6.383 1.00 0.00 H new ATOM 874 N TYR A 59 3.680 15.442 -5.197 1.00 0.00 N ATOM 875 CA TYR A 59 4.712 15.070 -4.226 1.00 0.00 C ATOM 876 C TYR A 59 5.088 16.224 -3.284 1.00 0.00 C ATOM 877 O TYR A 59 5.324 16.007 -2.096 1.00 0.00 O ATOM 878 CB TYR A 59 5.942 14.563 -4.993 1.00 0.00 C ATOM 879 CG TYR A 59 5.739 13.294 -5.804 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.152 12.161 -5.212 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.182 13.228 -7.139 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.002 10.973 -5.947 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.053 12.032 -7.874 1.00 0.00 C ATOM 884 CZ TYR A 59 5.460 10.895 -7.278 1.00 0.00 C ATOM 885 OH TYR A 59 5.313 9.728 -7.964 1.00 0.00 O ATOM 0 H TYR A 59 3.997 15.399 -6.165 1.00 0.00 H new ATOM 0 HA TYR A 59 4.314 14.283 -3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.278 15.352 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.747 14.390 -4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.815 12.205 -4.187 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.623 14.098 -7.602 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.533 10.114 -5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.407 11.984 -8.893 1.00 0.00 H new ATOM 0 HH TYR A 59 5.691 9.827 -8.863 1.00 0.00 H new ATOM 895 N LEU A 60 5.049 17.462 -3.782 1.00 0.00 N ATOM 896 CA LEU A 60 5.266 18.676 -2.989 1.00 0.00 C ATOM 897 C LEU A 60 4.168 18.940 -1.940 1.00 0.00 C ATOM 898 O LEU A 60 4.417 19.681 -0.989 1.00 0.00 O ATOM 899 CB LEU A 60 5.526 19.886 -3.903 1.00 0.00 C ATOM 900 CG LEU A 60 4.446 20.102 -4.979 1.00 0.00 C ATOM 901 CD1 LEU A 60 4.162 21.597 -5.157 1.00 0.00 C ATOM 902 CD2 LEU A 60 4.890 19.497 -6.319 1.00 0.00 C ATOM 0 H LEU A 60 4.862 17.653 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 60 6.166 18.507 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.597 20.784 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.491 19.758 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 60 3.535 19.602 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.397 21.734 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.812 22.016 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.075 22.107 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.114 19.660 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.814 19.974 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.058 18.427 -6.197 1.00 0.00 H new ATOM 914 N CYS A 61 2.992 18.302 -2.059 1.00 0.00 N ATOM 915 CA CYS A 61 1.927 18.340 -1.041 1.00 0.00 C ATOM 916 C CYS A 61 1.892 17.102 -0.116 1.00 0.00 C ATOM 917 O CYS A 61 0.984 16.992 0.712 1.00 0.00 O ATOM 918 CB CYS A 61 0.579 18.594 -1.730 1.00 0.00 C ATOM 919 SG CYS A 61 0.621 20.213 -2.562 1.00 0.00 S ATOM 0 H CYS A 61 2.750 17.738 -2.874 1.00 0.00 H new ATOM 0 HA CYS A 61 2.149 19.166 -0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.374 17.806 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.227 18.570 -0.997 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.582 20.546 -2.924 1.00 0.00 H new ATOM 925 N LEU A 62 2.861 16.182 -0.217 1.00 0.00 N ATOM 926 CA LEU A 62 3.044 15.091 0.748 1.00 0.00 C ATOM 927 C LEU A 62 3.947 15.581 1.886 1.00 0.00 C ATOM 928 O LEU A 62 5.160 15.723 1.706 1.00 0.00 O ATOM 929 CB LEU A 62 3.621 13.836 0.061 1.00 0.00 C ATOM 930 CG LEU A 62 2.751 13.242 -1.064 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.430 11.976 -1.599 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.331 12.908 -0.583 1.00 0.00 C ATOM 0 H LEU A 62 3.543 16.174 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 62 2.078 14.804 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.599 14.085 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.780 13.068 0.818 1.00 0.00 H new ATOM 0 HG LEU A 62 2.657 13.989 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.823 11.547 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.416 12.229 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.535 11.251 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.755 12.492 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.383 12.179 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.846 13.815 -0.223 1.00 0.00 H new ATOM 944 N ARG A 63 3.363 15.844 3.061 1.00 0.00 N ATOM 945 CA ARG A 63 4.107 16.369 4.219 1.00 0.00 C ATOM 946 C ARG A 63 5.016 15.311 4.863 1.00 0.00 C ATOM 947 O ARG A 63 6.056 15.661 5.426 1.00 0.00 O ATOM 948 CB ARG A 63 3.148 16.963 5.261 1.00 0.00 C ATOM 949 CG ARG A 63 2.370 18.172 4.712 1.00 0.00 C ATOM 950 CD ARG A 63 1.507 18.862 5.780 1.00 0.00 C ATOM 951 NE ARG A 63 2.330 19.524 6.811 1.00 0.00 N ATOM 952 CZ ARG A 63 2.507 19.139 8.070 1.00 0.00 C ATOM 953 NH1 ARG A 63 1.955 18.054 8.572 1.00 0.00 N ATOM 954 NH2 ARG A 63 3.269 19.862 8.864 1.00 0.00 N ATOM 0 H ARG A 63 2.369 15.701 3.238 1.00 0.00 H new ATOM 0 HA ARG A 63 4.755 17.161 3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.444 16.196 5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.714 17.267 6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.074 18.894 4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.731 17.845 3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.861 19.599 5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.857 18.126 6.252 1.00 0.00 H new ATOM 0 HE ARG A 63 2.818 20.373 6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.361 17.467 7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.122 17.801 9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.716 20.708 8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.412 19.576 9.833 1.00 0.00 H new ATOM 968 N ARG A 64 4.651 14.028 4.736 1.00 0.00 N ATOM 969 CA ARG A 64 5.450 12.858 5.125 1.00 0.00 C ATOM 970 C ARG A 64 4.867 11.574 4.530 1.00 0.00 C ATOM 971 O ARG A 64 3.707 11.522 4.116 1.00 0.00 O ATOM 972 CB ARG A 64 5.603 12.740 6.656 1.00 0.00 C ATOM 973 CG ARG A 64 4.269 12.465 7.368 1.00 0.00 C ATOM 974 CD ARG A 64 4.410 12.470 8.896 1.00 0.00 C ATOM 975 NE ARG A 64 3.094 12.356 9.559 1.00 0.00 N ATOM 976 CZ ARG A 64 2.138 13.281 9.569 1.00 0.00 C ATOM 977 NH1 ARG A 64 2.322 14.474 9.044 1.00 0.00 N ATOM 978 NH2 ARG A 64 0.965 13.021 10.101 1.00 0.00 N ATOM 0 H ARG A 64 3.748 13.765 4.341 1.00 0.00 H new ATOM 0 HA ARG A 64 6.450 13.002 4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.304 11.938 6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.034 13.662 7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.539 13.218 7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.880 11.499 7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.049 11.643 9.207 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.901 13.389 9.215 1.00 0.00 H new ATOM 0 HE ARG A 64 2.901 11.486 10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.217 14.710 8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.570 15.163 9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.782 12.105 10.510 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.237 13.736 10.105 1.00 0.00 H new ATOM 992 N TYR A 65 5.682 10.527 4.541 1.00 0.00 N ATOM 993 CA TYR A 65 5.387 9.201 4.003 1.00 0.00 C ATOM 994 C TYR A 65 6.243 8.147 4.717 1.00 0.00 C ATOM 995 O TYR A 65 7.340 8.443 5.191 1.00 0.00 O ATOM 996 CB TYR A 65 5.600 9.187 2.481 1.00 0.00 C ATOM 997 CG TYR A 65 6.975 9.655 2.033 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.039 8.739 1.929 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.190 11.013 1.729 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.317 9.175 1.535 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.469 11.457 1.354 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.542 10.544 1.264 1.00 0.00 C ATOM 1003 OH TYR A 65 10.783 10.994 0.923 1.00 0.00 O ATOM 0 H TYR A 65 6.616 10.581 4.946 1.00 0.00 H new ATOM 0 HA TYR A 65 4.341 8.955 4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.437 8.174 2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.845 9.820 2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.873 7.696 2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.370 11.714 1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.125 8.465 1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.632 12.502 1.134 1.00 0.00 H new ATOM 0 HH TYR A 65 10.750 11.962 0.772 1.00 0.00 H new ATOM 1013 N GLY A 66 5.712 6.932 4.841 1.00 0.00 N ATOM 1014 CA GLY A 66 6.297 5.859 5.636 1.00 0.00 C ATOM 1015 C GLY A 66 5.797 4.484 5.225 1.00 0.00 C ATOM 1016 O GLY A 66 4.790 4.335 4.533 1.00 0.00 O ATOM 0 H GLY A 66 4.843 6.662 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.382 5.890 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.067 6.025 6.688 1.00 0.00 H new ATOM 1020 N TYR A 67 6.502 3.460 5.693 1.00 0.00 N ATOM 1021 CA TYR A 67 6.238 2.075 5.319 1.00 0.00 C ATOM 1022 C TYR A 67 6.537 1.102 6.466 1.00 0.00 C ATOM 1023 O TYR A 67 7.475 1.288 7.244 1.00 0.00 O ATOM 1024 CB TYR A 67 7.013 1.728 4.034 1.00 0.00 C ATOM 1025 CG TYR A 67 8.483 1.392 4.226 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.379 2.352 4.739 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.954 0.101 3.917 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.725 2.021 4.973 1.00 0.00 C ATOM 1029 CE2 TYR A 67 10.303 -0.237 4.141 1.00 0.00 C ATOM 1030 CZ TYR A 67 11.191 0.721 4.682 1.00 0.00 C ATOM 1031 OH TYR A 67 12.490 0.388 4.929 1.00 0.00 O ATOM 0 H TYR A 67 7.278 3.568 6.347 1.00 0.00 H new ATOM 0 HA TYR A 67 5.173 1.966 5.113 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.524 0.880 3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.938 2.571 3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.028 3.351 4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.277 -0.634 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.402 2.761 5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.659 -1.228 3.900 1.00 0.00 H new ATOM 0 HH TYR A 67 12.643 -0.545 4.672 1.00 0.00 H new ATOM 1041 N ASP A 68 5.718 0.064 6.556 1.00 0.00 N ATOM 1042 CA ASP A 68 5.920 -1.105 7.420 1.00 0.00 C ATOM 1043 C ASP A 68 6.206 -2.371 6.575 1.00 0.00 C ATOM 1044 O ASP A 68 6.403 -2.296 5.362 1.00 0.00 O ATOM 1045 CB ASP A 68 4.710 -1.252 8.364 1.00 0.00 C ATOM 1046 CG ASP A 68 5.115 -1.837 9.727 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.322 -3.071 9.805 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.246 -1.060 10.701 1.00 0.00 O ATOM 0 H ASP A 68 4.858 0.005 6.010 1.00 0.00 H new ATOM 0 HA ASP A 68 6.803 -0.966 8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.244 -0.278 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.963 -1.896 7.900 1.00 0.00 H new ATOM 1053 N SER A 69 6.239 -3.549 7.201 1.00 0.00 N ATOM 1054 CA SER A 69 6.618 -4.824 6.559 1.00 0.00 C ATOM 1055 C SER A 69 5.615 -5.309 5.483 1.00 0.00 C ATOM 1056 O SER A 69 5.957 -6.127 4.625 1.00 0.00 O ATOM 1057 CB SER A 69 6.798 -5.880 7.665 1.00 0.00 C ATOM 1058 OG SER A 69 7.478 -7.048 7.216 1.00 0.00 O ATOM 0 H SER A 69 6.000 -3.653 8.187 1.00 0.00 H new ATOM 0 HA SER A 69 7.550 -4.663 6.017 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.353 -5.439 8.493 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.819 -6.163 8.052 1.00 0.00 H new ATOM 0 HG SER A 69 7.565 -7.682 7.959 1.00 0.00 H new ATOM 1064 N ASN A 70 4.389 -4.769 5.486 1.00 0.00 N ATOM 1065 CA ASN A 70 3.296 -5.108 4.559 1.00 0.00 C ATOM 1066 C ASN A 70 2.299 -3.947 4.325 1.00 0.00 C ATOM 1067 O ASN A 70 1.189 -4.167 3.832 1.00 0.00 O ATOM 1068 CB ASN A 70 2.589 -6.387 5.053 1.00 0.00 C ATOM 1069 CG ASN A 70 1.796 -6.221 6.353 1.00 0.00 C ATOM 1070 OD1 ASN A 70 1.811 -5.190 7.016 1.00 0.00 O ATOM 1071 ND2 ASN A 70 1.074 -7.250 6.758 1.00 0.00 N ATOM 0 H ASN A 70 4.118 -4.054 6.162 1.00 0.00 H new ATOM 0 HA ASN A 70 3.738 -5.293 3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.912 -6.736 4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.337 -7.166 5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.532 -7.185 7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.059 -8.110 6.209 1.00 0.00 H new ATOM 1078 N LEU A 71 2.676 -2.717 4.698 1.00 0.00 N ATOM 1079 CA LEU A 71 1.809 -1.536 4.735 1.00 0.00 C ATOM 1080 C LEU A 71 2.573 -0.310 4.225 1.00 0.00 C ATOM 1081 O LEU A 71 3.719 -0.089 4.608 1.00 0.00 O ATOM 1082 CB LEU A 71 1.329 -1.323 6.189 1.00 0.00 C ATOM 1083 CG LEU A 71 0.209 -0.273 6.357 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.157 -0.843 5.950 1.00 0.00 C ATOM 1085 CD2 LEU A 71 0.129 0.191 7.819 1.00 0.00 C ATOM 0 H LEU A 71 3.630 -2.511 4.993 1.00 0.00 H new ATOM 0 HA LEU A 71 0.944 -1.683 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.976 -2.276 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.182 -1.023 6.798 1.00 0.00 H new ATOM 0 HG LEU A 71 0.452 0.568 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.923 -0.079 6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.126 -1.152 4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.393 -1.704 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.665 0.931 7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.085 -0.664 8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.080 0.635 8.112 1.00 0.00 H new ATOM 1097 N PHE A 72 1.929 0.504 3.395 1.00 0.00 N ATOM 1098 CA PHE A 72 2.445 1.775 2.896 1.00 0.00 C ATOM 1099 C PHE A 72 1.461 2.894 3.257 1.00 0.00 C ATOM 1100 O PHE A 72 0.259 2.762 3.029 1.00 0.00 O ATOM 1101 CB PHE A 72 2.652 1.656 1.379 1.00 0.00 C ATOM 1102 CG PHE A 72 3.000 2.971 0.715 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.226 3.603 0.999 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.070 3.592 -0.141 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.512 4.864 0.446 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.362 4.845 -0.701 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.573 5.487 -0.397 1.00 0.00 C ATOM 0 H PHE A 72 0.998 0.289 3.038 1.00 0.00 H new ATOM 0 HA PHE A 72 3.404 2.018 3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.448 0.937 1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.744 1.258 0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.947 3.119 1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.133 3.104 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.449 5.353 0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.654 5.316 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.785 6.462 -0.811 1.00 0.00 H new ATOM 1117 N SER A 73 1.956 3.997 3.821 1.00 0.00 N ATOM 1118 CA SER A 73 1.107 5.133 4.223 1.00 0.00 C ATOM 1119 C SER A 73 1.753 6.514 4.007 1.00 0.00 C ATOM 1120 O SER A 73 2.975 6.673 4.059 1.00 0.00 O ATOM 1121 CB SER A 73 0.671 4.947 5.685 1.00 0.00 C ATOM 1122 OG SER A 73 -0.259 5.930 6.115 1.00 0.00 O ATOM 0 H SER A 73 2.948 4.133 4.013 1.00 0.00 H new ATOM 0 HA SER A 73 0.238 5.127 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.227 3.958 5.803 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.551 4.981 6.328 1.00 0.00 H new ATOM 0 HG SER A 73 -0.901 6.109 5.397 1.00 0.00 H new ATOM 1128 N PHE A 74 0.917 7.531 3.774 1.00 0.00 N ATOM 1129 CA PHE A 74 1.338 8.924 3.561 1.00 0.00 C ATOM 1130 C PHE A 74 0.299 9.953 4.035 1.00 0.00 C ATOM 1131 O PHE A 74 -0.898 9.665 4.112 1.00 0.00 O ATOM 1132 CB PHE A 74 1.730 9.140 2.088 1.00 0.00 C ATOM 1133 CG PHE A 74 0.624 8.882 1.080 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.269 9.909 0.716 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.500 7.608 0.493 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.267 9.667 -0.244 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.502 7.366 -0.462 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.387 8.394 -0.828 1.00 0.00 C ATOM 0 H PHE A 74 -0.094 7.408 3.727 1.00 0.00 H new ATOM 0 HA PHE A 74 2.215 9.094 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.077 10.166 1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.572 8.489 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.187 10.883 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.176 6.815 0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.942 10.459 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.592 6.390 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.160 8.206 -1.558 1.00 0.00 H new ATOM 1148 N GLU A 75 0.778 11.163 4.346 1.00 0.00 N ATOM 1149 CA GLU A 75 -0.038 12.314 4.742 1.00 0.00 C ATOM 1150 C GLU A 75 -0.030 13.346 3.610 1.00 0.00 C ATOM 1151 O GLU A 75 1.028 13.831 3.201 1.00 0.00 O ATOM 1152 CB GLU A 75 0.483 12.914 6.061 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.516 13.880 6.723 1.00 0.00 C ATOM 1154 CD GLU A 75 -0.107 15.353 6.602 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -0.380 15.983 5.559 1.00 0.00 O ATOM 1156 OE2 GLU A 75 0.475 15.892 7.576 1.00 0.00 O ATOM 0 H GLU A 75 1.776 11.374 4.328 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.066 11.997 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.711 12.105 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.417 13.442 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.497 13.744 6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.615 13.623 7.778 1.00 0.00 H new ATOM 1163 N SER A 76 -1.212 13.670 3.092 1.00 0.00 N ATOM 1164 CA SER A 76 -1.413 14.646 2.019 1.00 0.00 C ATOM 1165 C SER A 76 -2.095 15.917 2.548 1.00 0.00 C ATOM 1166 O SER A 76 -3.117 15.856 3.244 1.00 0.00 O ATOM 1167 CB SER A 76 -2.232 14.017 0.877 1.00 0.00 C ATOM 1168 OG SER A 76 -3.470 13.486 1.327 1.00 0.00 O ATOM 0 H SER A 76 -2.083 13.250 3.415 1.00 0.00 H new ATOM 0 HA SER A 76 -0.437 14.934 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.420 14.769 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.648 13.224 0.409 1.00 0.00 H new ATOM 0 HG SER A 76 -4.131 13.542 0.606 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.534 17.080 2.195 1.00 0.00 N ATOM 1175 CA GLY A 77 -2.015 18.392 2.630 1.00 0.00 C ATOM 1176 C GLY A 77 -3.357 18.788 2.009 1.00 0.00 C ATOM 1177 O GLY A 77 -3.850 18.166 1.066 1.00 0.00 O ATOM 0 H GLY A 77 -0.717 17.134 1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.112 18.393 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.270 19.146 2.376 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.938 19.874 2.527 1.00 0.00 N ATOM 1182 CA ARG A 78 -5.265 20.386 2.137 1.00 0.00 C ATOM 1183 C ARG A 78 -5.405 20.811 0.657 1.00 0.00 C ATOM 1184 O ARG A 78 -6.530 20.955 0.175 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.679 21.509 3.113 1.00 0.00 C ATOM 1186 CG ARG A 78 -4.800 22.769 3.019 1.00 0.00 C ATOM 1187 CD ARG A 78 -5.113 23.752 4.155 1.00 0.00 C ATOM 1188 NE ARG A 78 -4.285 24.967 4.053 1.00 0.00 N ATOM 1189 CZ ARG A 78 -3.034 25.125 4.476 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -2.366 24.164 5.083 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -2.426 26.277 4.293 1.00 0.00 N ATOM 0 H ARG A 78 -3.491 20.440 3.248 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.958 19.548 2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.715 21.785 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.639 21.125 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.748 22.485 3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.961 23.257 2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.168 24.024 4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.937 23.269 5.116 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.719 25.776 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.808 23.259 5.243 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.408 24.326 5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.914 27.043 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.467 26.404 4.615 1.00 0.00 H new ATOM 1205 N ARG A 79 -4.291 20.965 -0.075 1.00 0.00 N ATOM 1206 CA ARG A 79 -4.238 21.329 -1.500 1.00 0.00 C ATOM 1207 C ARG A 79 -3.945 20.098 -2.374 1.00 0.00 C ATOM 1208 O ARG A 79 -2.838 19.919 -2.878 1.00 0.00 O ATOM 1209 CB ARG A 79 -3.210 22.459 -1.707 1.00 0.00 C ATOM 1210 CG ARG A 79 -3.667 23.794 -1.095 1.00 0.00 C ATOM 1211 CD ARG A 79 -4.741 24.525 -1.916 1.00 0.00 C ATOM 1212 NE ARG A 79 -4.206 25.007 -3.204 1.00 0.00 N ATOM 1213 CZ ARG A 79 -4.903 25.346 -4.283 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -6.218 25.290 -4.313 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -4.271 25.756 -5.360 1.00 0.00 N ATOM 0 H ARG A 79 -3.363 20.834 0.327 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.212 21.702 -1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.259 22.166 -1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.034 22.594 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.054 23.609 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.801 24.447 -0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.580 23.854 -2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.126 25.368 -1.343 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.192 25.089 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.734 24.979 -3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.721 25.558 -5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.253 25.812 -5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.799 26.018 -6.192 1.00 0.00 H new ATOM 1229 N CYS A 80 -4.962 19.256 -2.568 1.00 0.00 N ATOM 1230 CA CYS A 80 -4.948 18.086 -3.471 1.00 0.00 C ATOM 1231 C CYS A 80 -6.374 17.608 -3.833 1.00 0.00 C ATOM 1232 O CYS A 80 -7.353 18.171 -3.341 1.00 0.00 O ATOM 1233 CB CYS A 80 -4.080 16.963 -2.860 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.873 16.280 -1.376 1.00 0.00 S ATOM 0 H CYS A 80 -5.854 19.368 -2.086 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.496 18.385 -4.417 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.928 16.172 -3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.095 17.355 -2.605 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.536 16.988 -0.339 1.00 0.00 H new ATOM 1240 N GLN A 81 -6.502 16.579 -4.683 1.00 0.00 N ATOM 1241 CA GLN A 81 -7.789 16.093 -5.210 1.00 0.00 C ATOM 1242 C GLN A 81 -8.761 15.617 -4.109 1.00 0.00 C ATOM 1243 O GLN A 81 -9.971 15.818 -4.237 1.00 0.00 O ATOM 1244 CB GLN A 81 -7.499 14.962 -6.218 1.00 0.00 C ATOM 1245 CG GLN A 81 -8.733 14.480 -7.006 1.00 0.00 C ATOM 1246 CD GLN A 81 -8.394 13.379 -8.023 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -7.288 13.267 -8.542 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -9.332 12.502 -8.312 1.00 0.00 N ATOM 0 H GLN A 81 -5.701 16.051 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.295 16.926 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.744 15.306 -6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.072 14.115 -5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.482 14.106 -6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.179 15.326 -7.528 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.256 12.584 -7.887 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.135 11.740 -8.961 1.00 0.00 H new ATOM 1257 N THR A 82 -8.240 15.028 -3.021 1.00 0.00 N ATOM 1258 CA THR A 82 -9.024 14.518 -1.881 1.00 0.00 C ATOM 1259 C THR A 82 -9.103 15.486 -0.707 1.00 0.00 C ATOM 1260 O THR A 82 -9.921 15.273 0.186 1.00 0.00 O ATOM 1261 CB THR A 82 -8.434 13.191 -1.383 1.00 0.00 C ATOM 1262 OG1 THR A 82 -7.051 13.342 -1.151 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.626 12.074 -2.409 1.00 0.00 C ATOM 0 H THR A 82 -7.236 14.889 -2.905 1.00 0.00 H new ATOM 0 HA THR A 82 -10.037 14.381 -2.258 1.00 0.00 H new ATOM 0 HB THR A 82 -8.955 12.925 -0.463 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.764 12.709 -0.461 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.197 11.149 -2.024 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.690 11.930 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.128 12.345 -3.340 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.261 16.519 -0.667 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.073 17.362 0.513 1.00 0.00 C ATOM 1273 C GLY A 83 -7.251 16.653 1.596 1.00 0.00 C ATOM 1274 O GLY A 83 -6.671 15.590 1.368 1.00 0.00 O ATOM 0 H GLY A 83 -7.685 16.796 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.572 18.286 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.045 17.640 0.919 1.00 0.00 H new ATOM 1278 N GLN A 84 -7.206 17.254 2.785 1.00 0.00 N ATOM 1279 CA GLN A 84 -6.361 16.810 3.899 1.00 0.00 C ATOM 1280 C GLN A 84 -6.725 15.398 4.396 1.00 0.00 C ATOM 1281 O GLN A 84 -7.895 15.103 4.663 1.00 0.00 O ATOM 1282 CB GLN A 84 -6.473 17.842 5.031 1.00 0.00 C ATOM 1283 CG GLN A 84 -5.491 17.578 6.184 1.00 0.00 C ATOM 1284 CD GLN A 84 -5.590 18.660 7.263 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -5.149 19.789 7.091 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -6.179 18.371 8.408 1.00 0.00 N ATOM 0 H GLN A 84 -7.765 18.078 3.007 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.331 16.742 3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.291 18.838 4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.491 17.837 5.420 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.699 16.603 6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.473 17.542 5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.552 17.435 8.568 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.261 19.083 9.133 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.720 14.527 4.554 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.906 13.173 5.084 1.00 0.00 C ATOM 1297 C GLY A 85 -4.622 12.354 5.234 1.00 0.00 C ATOM 1298 O GLY A 85 -3.561 12.710 4.718 1.00 0.00 O ATOM 0 H GLY A 85 -4.752 14.744 4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.390 13.244 6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.589 12.633 4.428 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.750 11.223 5.931 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.734 10.163 6.035 1.00 0.00 C ATOM 1304 C ILE A 86 -4.335 8.906 5.409 1.00 0.00 C ATOM 1305 O ILE A 86 -5.353 8.406 5.894 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.315 9.913 7.506 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.675 11.181 8.117 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.337 8.722 7.583 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.387 11.075 9.622 1.00 0.00 C ATOM 0 H ILE A 86 -5.595 11.008 6.460 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.825 10.458 5.511 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.207 9.673 8.084 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.743 11.393 7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.337 12.029 7.944 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.049 8.555 8.621 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.822 7.827 7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.449 8.942 6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.939 12.005 9.973 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.318 10.896 10.159 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.699 10.249 9.803 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.706 8.407 4.345 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.161 7.244 3.585 1.00 0.00 C ATOM 1323 C PHE A 87 -3.180 6.083 3.767 1.00 0.00 C ATOM 1324 O PHE A 87 -1.966 6.293 3.854 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.320 7.631 2.106 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.267 8.793 1.855 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.607 8.716 2.279 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.814 9.957 1.204 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.484 9.793 2.060 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.695 11.030 0.981 1.00 0.00 C ATOM 1331 CZ PHE A 87 -7.029 10.953 1.415 1.00 0.00 C ATOM 0 H PHE A 87 -2.844 8.811 3.979 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.132 6.914 3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.340 7.885 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.677 6.762 1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.963 7.825 2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.788 10.026 0.875 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.511 9.727 2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.345 11.917 0.474 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.701 11.783 1.253 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.699 4.855 3.835 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.913 3.655 4.114 1.00 0.00 C ATOM 1343 C ALA A 88 -3.411 2.445 3.320 1.00 0.00 C ATOM 1344 O ALA A 88 -4.617 2.225 3.154 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.931 3.382 5.622 1.00 0.00 C ATOM 0 H ALA A 88 -4.691 4.666 3.696 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.886 3.828 3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.346 2.488 5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.501 4.233 6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.959 3.231 5.952 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.445 1.668 2.835 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.665 0.567 1.903 1.00 0.00 C ATOM 1353 C PHE A 89 -1.824 -0.653 2.283 1.00 0.00 C ATOM 1354 O PHE A 89 -0.619 -0.537 2.505 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.322 1.023 0.476 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.995 2.307 0.026 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.418 3.553 0.345 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.205 2.263 -0.693 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.062 4.745 -0.026 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.839 3.458 -1.076 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.270 4.699 -0.739 1.00 0.00 C ATOM 0 H PHE A 89 -1.464 1.790 3.086 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.715 0.279 1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.242 1.153 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.594 0.227 -0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.478 3.591 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.646 1.311 -0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.627 5.698 0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.765 3.423 -1.630 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.762 5.616 -1.029 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.442 -1.835 2.327 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.729 -3.103 2.471 1.00 0.00 C ATOM 1373 C LYS A 90 -1.169 -3.540 1.112 1.00 0.00 C ATOM 1374 O LYS A 90 -1.880 -3.523 0.101 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.647 -4.172 3.093 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.640 -4.085 4.627 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.478 -5.211 5.256 1.00 0.00 C ATOM 1378 CE LYS A 90 -3.221 -5.375 6.764 1.00 0.00 C ATOM 1379 NZ LYS A 90 -3.671 -4.202 7.560 1.00 0.00 N ATOM 0 H LYS A 90 -3.455 -1.939 2.263 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.887 -2.972 3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.664 -4.042 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.319 -5.163 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.615 -4.145 4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.034 -3.118 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.536 -5.005 5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.254 -6.150 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.735 -6.268 7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.155 -5.533 6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.473 -4.369 8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.162 -3.352 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.693 -4.064 7.427 1.00 0.00 H new ATOM 1393 N CYS A 91 0.106 -3.929 1.108 1.00 0.00 N ATOM 1394 CA CYS A 91 0.871 -4.342 -0.070 1.00 0.00 C ATOM 1395 C CYS A 91 2.236 -4.926 0.342 1.00 0.00 C ATOM 1396 O CYS A 91 2.983 -4.309 1.102 1.00 0.00 O ATOM 1397 CB CYS A 91 1.020 -3.158 -1.051 1.00 0.00 C ATOM 1398 SG CYS A 91 1.711 -1.688 -0.233 1.00 0.00 S ATOM 0 H CYS A 91 0.659 -3.967 1.964 1.00 0.00 H new ATOM 0 HA CYS A 91 0.328 -5.133 -0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.666 -3.451 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 91 0.047 -2.914 -1.477 1.00 0.00 H new ATOM 0 HG CYS A 91 1.624 -0.666 -1.031 1.00 0.00 H new ATOM 1404 N SER A 92 2.599 -6.093 -0.185 1.00 0.00 N ATOM 1405 CA SER A 92 3.873 -6.767 0.134 1.00 0.00 C ATOM 1406 C SER A 92 5.116 -6.036 -0.412 1.00 0.00 C ATOM 1407 O SER A 92 6.230 -6.274 0.060 1.00 0.00 O ATOM 1408 CB SER A 92 3.846 -8.205 -0.410 1.00 0.00 C ATOM 1409 OG SER A 92 2.671 -8.902 -0.009 1.00 0.00 O ATOM 0 H SER A 92 2.021 -6.607 -0.850 1.00 0.00 H new ATOM 0 HA SER A 92 3.961 -6.762 1.220 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.901 -8.183 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.726 -8.743 -0.057 1.00 0.00 H new ATOM 0 HG SER A 92 2.689 -9.811 -0.375 1.00 0.00 H new ATOM 1415 N ARG A 93 4.929 -5.119 -1.376 1.00 0.00 N ATOM 1416 CA ARG A 93 5.983 -4.312 -2.009 1.00 0.00 C ATOM 1417 C ARG A 93 6.039 -2.865 -1.480 1.00 0.00 C ATOM 1418 O ARG A 93 6.570 -1.983 -2.155 1.00 0.00 O ATOM 1419 CB ARG A 93 5.849 -4.384 -3.543 1.00 0.00 C ATOM 1420 CG ARG A 93 5.877 -5.829 -4.059 1.00 0.00 C ATOM 1421 CD ARG A 93 6.370 -5.863 -5.510 1.00 0.00 C ATOM 1422 NE ARG A 93 6.240 -7.195 -6.118 1.00 0.00 N ATOM 1423 CZ ARG A 93 6.942 -8.292 -5.849 1.00 0.00 C ATOM 1424 NH1 ARG A 93 7.862 -8.336 -4.907 1.00 0.00 N ATOM 1425 NH2 ARG A 93 6.718 -9.381 -6.548 1.00 0.00 N ATOM 0 H ARG A 93 4.003 -4.912 -1.750 1.00 0.00 H new ATOM 0 HA ARG A 93 6.945 -4.742 -1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.916 -3.909 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.659 -3.819 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.530 -6.435 -3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.880 -6.265 -3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.804 -5.141 -6.099 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.414 -5.553 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 93 5.522 -7.290 -6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.060 -7.506 -4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.376 -9.200 -4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.014 -9.378 -7.286 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.249 -10.230 -6.353 1.00 0.00 H new ATOM 1439 N ALA A 94 5.537 -2.609 -0.265 1.00 0.00 N ATOM 1440 CA ALA A 94 5.598 -1.301 0.406 1.00 0.00 C ATOM 1441 C ALA A 94 7.021 -0.702 0.464 1.00 0.00 C ATOM 1442 O ALA A 94 7.183 0.503 0.282 1.00 0.00 O ATOM 1443 CB ALA A 94 5.002 -1.466 1.810 1.00 0.00 C ATOM 0 H ALA A 94 5.066 -3.321 0.293 1.00 0.00 H new ATOM 0 HA ALA A 94 5.020 -0.585 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.034 -0.510 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.968 -1.802 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.580 -2.204 2.366 1.00 0.00 H new ATOM 1449 N GLU A 95 8.041 -1.553 0.626 1.00 0.00 N ATOM 1450 CA GLU A 95 9.466 -1.214 0.496 1.00 0.00 C ATOM 1451 C GLU A 95 9.776 -0.574 -0.872 1.00 0.00 C ATOM 1452 O GLU A 95 10.374 0.497 -0.933 1.00 0.00 O ATOM 1453 CB GLU A 95 10.271 -2.515 0.696 1.00 0.00 C ATOM 1454 CG GLU A 95 11.794 -2.433 0.503 1.00 0.00 C ATOM 1455 CD GLU A 95 12.565 -1.941 1.739 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.625 -2.690 2.744 1.00 0.00 O ATOM 1457 OE2 GLU A 95 13.179 -0.850 1.680 1.00 0.00 O ATOM 0 H GLU A 95 7.892 -2.535 0.860 1.00 0.00 H new ATOM 0 HA GLU A 95 9.742 -0.474 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.077 -2.881 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.882 -3.263 0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.167 -3.419 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.007 -1.766 -0.332 1.00 0.00 H new ATOM 1464 N GLU A 96 9.358 -1.198 -1.977 1.00 0.00 N ATOM 1465 CA GLU A 96 9.669 -0.723 -3.331 1.00 0.00 C ATOM 1466 C GLU A 96 8.941 0.590 -3.650 1.00 0.00 C ATOM 1467 O GLU A 96 9.528 1.480 -4.267 1.00 0.00 O ATOM 1468 CB GLU A 96 9.296 -1.781 -4.381 1.00 0.00 C ATOM 1469 CG GLU A 96 10.036 -3.118 -4.236 1.00 0.00 C ATOM 1470 CD GLU A 96 11.548 -2.973 -4.468 1.00 0.00 C ATOM 1471 OE1 GLU A 96 11.975 -2.874 -5.644 1.00 0.00 O ATOM 1472 OE2 GLU A 96 12.321 -2.981 -3.481 1.00 0.00 O ATOM 0 H GLU A 96 8.794 -2.048 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 96 10.743 -0.542 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.223 -1.967 -4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.497 -1.376 -5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.860 -3.522 -3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.628 -3.836 -4.948 1.00 0.00 H new ATOM 1479 N ILE A 97 7.691 0.742 -3.187 1.00 0.00 N ATOM 1480 CA ILE A 97 6.923 1.994 -3.327 1.00 0.00 C ATOM 1481 C ILE A 97 7.628 3.133 -2.578 1.00 0.00 C ATOM 1482 O ILE A 97 7.859 4.192 -3.161 1.00 0.00 O ATOM 1483 CB ILE A 97 5.457 1.832 -2.849 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.718 0.709 -3.614 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.700 3.164 -3.026 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.354 0.345 -3.013 1.00 0.00 C ATOM 0 H ILE A 97 7.182 0.002 -2.704 1.00 0.00 H new ATOM 0 HA ILE A 97 6.882 2.245 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 97 5.483 1.554 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.577 1.019 -4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.347 -0.181 -3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.670 3.045 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.187 3.941 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.706 3.449 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.897 -0.449 -3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.488 0.003 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.707 1.222 -3.022 1.00 0.00 H new ATOM 1498 N PHE A 98 8.011 2.912 -1.315 1.00 0.00 N ATOM 1499 CA PHE A 98 8.703 3.897 -0.483 1.00 0.00 C ATOM 1500 C PHE A 98 10.054 4.326 -1.080 1.00 0.00 C ATOM 1501 O PHE A 98 10.351 5.523 -1.119 1.00 0.00 O ATOM 1502 CB PHE A 98 8.867 3.296 0.918 1.00 0.00 C ATOM 1503 CG PHE A 98 9.672 4.135 1.891 1.00 0.00 C ATOM 1504 CD1 PHE A 98 9.033 5.083 2.712 1.00 0.00 C ATOM 1505 CD2 PHE A 98 11.062 3.932 2.004 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.778 5.806 3.661 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.806 4.659 2.947 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.161 5.581 3.789 1.00 0.00 C ATOM 0 H PHE A 98 7.845 2.027 -0.836 1.00 0.00 H new ATOM 0 HA PHE A 98 8.108 4.809 -0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.877 3.127 1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.344 2.320 0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.971 5.255 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.556 3.216 1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.289 6.534 4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.873 4.510 3.025 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.728 6.118 4.535 1.00 0.00 H new ATOM 1518 N ASN A 99 10.851 3.378 -1.591 1.00 0.00 N ATOM 1519 CA ASN A 99 12.127 3.681 -2.244 1.00 0.00 C ATOM 1520 C ASN A 99 11.937 4.491 -3.533 1.00 0.00 C ATOM 1521 O ASN A 99 12.572 5.534 -3.691 1.00 0.00 O ATOM 1522 CB ASN A 99 12.925 2.399 -2.507 1.00 0.00 C ATOM 1523 CG ASN A 99 13.622 1.909 -1.244 1.00 0.00 C ATOM 1524 OD1 ASN A 99 14.621 2.472 -0.804 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.107 0.862 -0.636 1.00 0.00 N ATOM 0 H ASN A 99 10.628 2.383 -1.562 1.00 0.00 H new ATOM 0 HA ASN A 99 12.701 4.305 -1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.257 1.623 -2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.666 2.583 -3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.538 0.504 0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.277 0.408 -1.017 1.00 0.00 H new ATOM 1532 N LEU A 100 11.027 4.072 -4.422 1.00 0.00 N ATOM 1533 CA LEU A 100 10.720 4.794 -5.660 1.00 0.00 C ATOM 1534 C LEU A 100 10.187 6.202 -5.370 1.00 0.00 C ATOM 1535 O LEU A 100 10.597 7.154 -6.030 1.00 0.00 O ATOM 1536 CB LEU A 100 9.727 3.954 -6.484 1.00 0.00 C ATOM 1537 CG LEU A 100 9.279 4.602 -7.809 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.451 4.853 -8.769 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.248 3.695 -8.488 1.00 0.00 C ATOM 0 H LEU A 100 10.482 3.219 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 100 11.632 4.934 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.183 2.989 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.845 3.758 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 100 8.844 5.572 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.079 5.310 -9.686 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.171 5.521 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.936 3.906 -9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.927 4.148 -9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.696 2.722 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.386 3.569 -7.832 1.00 0.00 H new ATOM 1551 N LEU A 101 9.336 6.353 -4.351 1.00 0.00 N ATOM 1552 CA LEU A 101 8.826 7.647 -3.908 1.00 0.00 C ATOM 1553 C LEU A 101 9.961 8.597 -3.510 1.00 0.00 C ATOM 1554 O LEU A 101 10.049 9.687 -4.071 1.00 0.00 O ATOM 1555 CB LEU A 101 7.825 7.415 -2.764 1.00 0.00 C ATOM 1556 CG LEU A 101 7.125 8.688 -2.262 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.281 9.355 -3.357 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.222 8.315 -1.087 1.00 0.00 C ATOM 0 H LEU A 101 8.979 5.568 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 101 8.309 8.139 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.067 6.707 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.349 6.950 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 101 7.891 9.401 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.806 10.250 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.923 9.629 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.514 8.660 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.717 9.208 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.479 7.588 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.824 7.883 -0.288 1.00 0.00 H new ATOM 1570 N GLN A 102 10.855 8.193 -2.597 1.00 0.00 N ATOM 1571 CA GLN A 102 11.958 9.066 -2.192 1.00 0.00 C ATOM 1572 C GLN A 102 12.956 9.316 -3.333 1.00 0.00 C ATOM 1573 O GLN A 102 13.453 10.433 -3.455 1.00 0.00 O ATOM 1574 CB GLN A 102 12.643 8.575 -0.907 1.00 0.00 C ATOM 1575 CG GLN A 102 13.406 7.247 -1.006 1.00 0.00 C ATOM 1576 CD GLN A 102 14.172 6.888 0.273 1.00 0.00 C ATOM 1577 OE1 GLN A 102 14.378 7.695 1.172 1.00 0.00 O ATOM 1578 NE2 GLN A 102 14.628 5.661 0.416 1.00 0.00 N ATOM 0 H GLN A 102 10.836 7.284 -2.134 1.00 0.00 H new ATOM 0 HA GLN A 102 11.518 10.035 -1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.339 9.345 -0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.884 8.476 -0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.701 6.448 -1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.108 7.301 -1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.470 4.970 -0.317 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.139 5.402 1.260 1.00 0.00 H new ATOM 1587 N ASP A 103 13.192 8.337 -4.215 1.00 0.00 N ATOM 1588 CA ASP A 103 14.071 8.476 -5.383 1.00 0.00 C ATOM 1589 C ASP A 103 13.557 9.538 -6.370 1.00 0.00 C ATOM 1590 O ASP A 103 14.337 10.367 -6.848 1.00 0.00 O ATOM 1591 CB ASP A 103 14.217 7.117 -6.100 1.00 0.00 C ATOM 1592 CG ASP A 103 15.170 6.117 -5.415 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.138 6.545 -4.742 1.00 0.00 O ATOM 1594 OD2 ASP A 103 14.993 4.893 -5.626 1.00 0.00 O ATOM 0 H ASP A 103 12.771 7.411 -4.136 1.00 0.00 H new ATOM 0 HA ASP A 103 15.045 8.807 -5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.231 6.659 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.571 7.295 -7.116 1.00 0.00 H new ATOM 1599 N LEU A 104 12.244 9.559 -6.632 1.00 0.00 N ATOM 1600 CA LEU A 104 11.592 10.568 -7.473 1.00 0.00 C ATOM 1601 C LEU A 104 11.563 11.953 -6.808 1.00 0.00 C ATOM 1602 O LEU A 104 11.649 12.966 -7.504 1.00 0.00 O ATOM 1603 CB LEU A 104 10.163 10.096 -7.805 1.00 0.00 C ATOM 1604 CG LEU A 104 10.099 8.875 -8.745 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.683 8.288 -8.712 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.479 9.242 -10.188 1.00 0.00 C ATOM 0 H LEU A 104 11.596 8.865 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 104 12.173 10.676 -8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.649 9.851 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.618 10.921 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 104 10.821 8.138 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.632 7.424 -9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.440 7.980 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.969 9.042 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.421 8.354 -10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.790 9.999 -10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.496 9.635 -10.208 1.00 0.00 H new ATOM 1618 N MET A 105 11.483 12.008 -5.473 1.00 0.00 N ATOM 1619 CA MET A 105 11.443 13.261 -4.705 1.00 0.00 C ATOM 1620 C MET A 105 12.834 13.872 -4.465 1.00 0.00 C ATOM 1621 O MET A 105 12.934 15.092 -4.329 1.00 0.00 O ATOM 1622 CB MET A 105 10.690 13.038 -3.382 1.00 0.00 C ATOM 1623 CG MET A 105 9.203 12.743 -3.634 1.00 0.00 C ATOM 1624 SD MET A 105 8.264 12.225 -2.173 1.00 0.00 S ATOM 1625 CE MET A 105 7.874 13.836 -1.462 1.00 0.00 C ATOM 0 H MET A 105 11.444 11.174 -4.887 1.00 0.00 H new ATOM 0 HA MET A 105 10.904 13.993 -5.307 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.141 12.208 -2.839 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.787 13.922 -2.752 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.736 13.637 -4.049 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.127 11.963 -4.391 1.00 0.00 H new ATOM 0 HE1 MET A 105 8.327 13.917 -0.474 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.266 14.623 -2.107 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.793 13.943 -1.375 1.00 0.00 H new ATOM 2019 N PHE A 136 -9.931 5.960 2.462 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.194 5.972 3.907 1.00 0.00 C ATOM 2021 C PHE A 136 -9.152 6.797 4.682 1.00 0.00 C ATOM 2022 O PHE A 136 -7.958 6.486 4.652 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.276 4.538 4.446 1.00 0.00 C ATOM 2024 CG PHE A 136 -10.820 4.469 5.862 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -9.981 4.710 6.970 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.187 4.205 6.072 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.511 4.697 8.273 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.712 4.179 7.376 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.875 4.427 8.477 1.00 0.00 C ATOM 0 HA PHE A 136 -11.157 6.460 4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -10.911 3.944 3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.283 4.089 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -8.930 4.905 6.818 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.835 4.022 5.228 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.868 4.895 9.118 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.760 3.968 7.532 1.00 0.00 H new ATOM 0 HZ PHE A 136 -12.279 4.410 9.478 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.623 7.819 5.407 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.804 8.759 6.184 1.00 0.00 C ATOM 2041 C ARG A 137 -8.587 8.227 7.607 1.00 0.00 C ATOM 2042 O ARG A 137 -9.543 8.104 8.378 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.489 10.140 6.226 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.670 10.751 4.828 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.505 12.037 4.847 1.00 0.00 C ATOM 2046 NE ARG A 137 -11.098 12.273 3.519 1.00 0.00 N ATOM 2047 CZ ARG A 137 -10.727 13.157 2.600 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -9.756 14.025 2.774 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -11.342 13.192 1.443 1.00 0.00 N ATOM 0 H ARG A 137 -10.621 8.022 5.471 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.831 8.862 5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.463 10.044 6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.896 10.817 6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.691 10.965 4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -10.150 10.021 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -11.292 11.958 5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -9.879 12.883 5.130 1.00 0.00 H new ATOM 0 HE ARG A 137 -11.894 11.683 3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -9.241 14.044 3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -9.518 14.680 2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -12.103 12.541 1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -11.059 13.870 0.735 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.339 7.925 7.972 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.967 7.482 9.322 1.00 0.00 C ATOM 2065 C LEU A 138 -6.899 8.652 10.320 1.00 0.00 C ATOM 2066 O LEU A 138 -6.587 9.787 9.951 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.621 6.736 9.275 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.634 5.382 8.539 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.222 4.793 8.611 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.595 4.367 9.180 1.00 0.00 C ATOM 0 H LEU A 138 -6.547 7.981 7.332 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.746 6.806 9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.885 7.382 8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.282 6.570 10.298 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.966 5.562 7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.202 3.832 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.519 5.475 8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.939 4.652 9.654 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.563 3.432 8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.295 4.183 10.212 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.609 4.765 9.163 1.00 0.00 H new ATOM 2082 N ARG A 139 -7.151 8.346 11.601 1.00 0.00 N ATOM 2083 CA ARG A 139 -7.056 9.292 12.726 1.00 0.00 C ATOM 2084 C ARG A 139 -5.612 9.685 13.077 1.00 0.00 C ATOM 2085 O ARG A 139 -5.368 10.786 13.570 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.713 8.668 13.964 1.00 0.00 C ATOM 2087 CG ARG A 139 -9.245 8.614 13.879 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.913 9.993 13.919 1.00 0.00 C ATOM 2089 NE ARG A 139 -11.375 9.844 13.936 1.00 0.00 N ATOM 2090 CZ ARG A 139 -12.288 10.787 14.101 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.975 12.054 14.282 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -13.557 10.440 14.089 1.00 0.00 N ATOM 0 H ARG A 139 -7.434 7.410 11.892 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.568 10.202 12.414 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.328 7.657 14.100 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.425 9.240 14.846 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.531 8.108 12.957 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.625 8.012 14.704 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.585 10.539 14.803 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.609 10.579 13.051 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.729 8.897 13.804 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.996 12.340 14.299 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.712 12.749 14.405 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.817 9.463 13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -14.281 11.148 14.214 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.660 8.790 12.815 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.221 8.956 13.057 1.00 0.00 C ATOM 2108 C HIS A 140 -2.359 8.227 12.000 1.00 0.00 C ATOM 2109 O HIS A 140 -2.884 7.549 11.111 1.00 0.00 O ATOM 2110 CB HIS A 140 -2.898 8.529 14.504 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.083 7.063 14.817 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.657 5.993 14.023 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -3.623 6.566 15.968 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -2.961 4.883 14.713 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -3.538 5.194 15.886 1.00 0.00 N ATOM 0 H HIS A 140 -4.880 7.881 12.407 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.960 10.009 12.947 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -1.864 8.799 14.719 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.526 9.107 15.182 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -4.037 7.138 16.785 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -2.768 3.877 14.372 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -3.857 4.530 16.592 1.00 0.00 H new ATOM 2123 N PHE A 141 -1.033 8.384 12.079 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.084 7.819 11.117 1.00 0.00 C ATOM 2125 C PHE A 141 0.364 6.400 11.543 1.00 0.00 C ATOM 2126 O PHE A 141 0.916 6.260 12.640 1.00 0.00 O ATOM 2127 CB PHE A 141 1.091 8.797 10.971 1.00 0.00 C ATOM 2128 CG PHE A 141 1.866 8.588 9.691 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.391 9.149 8.490 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.045 7.823 9.690 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.091 8.935 7.293 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.745 7.612 8.490 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.264 8.163 7.290 1.00 0.00 C ATOM 0 H PHE A 141 -0.584 8.915 12.825 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.557 7.696 10.143 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.714 9.819 11.000 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.763 8.681 11.821 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.489 9.743 8.490 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.413 7.397 10.612 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.727 9.365 6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.653 7.026 8.490 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.796 7.993 6.366 1.00 0.00 H new ATOM 2143 N PRO A 142 0.139 5.347 10.724 1.00 0.00 N ATOM 2144 CA PRO A 142 0.330 3.958 11.145 1.00 0.00 C ATOM 2145 C PRO A 142 1.770 3.436 11.000 1.00 0.00 C ATOM 2146 O PRO A 142 2.148 2.522 11.731 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.630 3.149 10.265 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.620 3.930 8.953 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.548 5.380 9.437 1.00 0.00 C ATOM 0 HA PRO A 142 0.130 3.867 12.213 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.287 2.123 10.128 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.629 3.096 10.698 1.00 0.00 H new ATOM 0 HG2 PRO A 142 0.234 3.667 8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.516 3.743 8.361 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -0.008 6.002 8.723 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.546 5.806 9.540 1.00 0.00 H new ATOM 2157 N CYS A 143 2.575 3.989 10.083 1.00 0.00 N ATOM 2158 CA CYS A 143 3.922 3.488 9.780 1.00 0.00 C ATOM 2159 C CYS A 143 4.998 4.148 10.664 1.00 0.00 C ATOM 2160 O CYS A 143 5.027 5.371 10.805 1.00 0.00 O ATOM 2161 CB CYS A 143 4.208 3.724 8.288 1.00 0.00 C ATOM 2162 SG CYS A 143 3.108 2.717 7.250 1.00 0.00 S ATOM 0 H CYS A 143 2.308 4.802 9.527 1.00 0.00 H new ATOM 0 HA CYS A 143 3.960 2.421 10.000 1.00 0.00 H new ATOM 0 HB2 CYS A 143 4.074 4.779 8.050 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.247 3.478 8.069 1.00 0.00 H new ATOM 0 HG CYS A 143 3.347 2.965 5.996 1.00 0.00 H new ATOM 2168 N GLY A 144 5.924 3.352 11.217 1.00 0.00 N ATOM 2169 CA GLY A 144 7.014 3.849 12.078 1.00 0.00 C ATOM 2170 C GLY A 144 8.145 4.529 11.303 1.00 0.00 C ATOM 2171 O GLY A 144 8.721 5.511 11.770 1.00 0.00 O ATOM 0 H GLY A 144 5.941 2.341 11.081 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.603 4.556 12.799 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.425 3.015 12.647 1.00 0.00 H new ATOM 2175 N ASN A 145 8.447 4.058 10.088 1.00 0.00 N ATOM 2176 CA ASN A 145 9.547 4.560 9.251 1.00 0.00 C ATOM 2177 C ASN A 145 9.176 5.848 8.487 1.00 0.00 C ATOM 2178 O ASN A 145 9.200 5.900 7.257 1.00 0.00 O ATOM 2179 CB ASN A 145 10.027 3.457 8.306 1.00 0.00 C ATOM 2180 CG ASN A 145 10.536 2.218 9.034 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.484 2.274 9.808 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.919 1.072 8.812 1.00 0.00 N ATOM 0 H ASN A 145 7.924 3.301 9.648 1.00 0.00 H new ATOM 0 HA ASN A 145 10.368 4.837 9.913 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.208 3.171 7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.823 3.851 7.674 1.00 0.00 H new ATOM 0 HD21 ASN A 145 10.231 0.225 9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 145 9.131 1.034 8.166 1.00 0.00 H new ATOM 2189 N VAL A 146 8.809 6.887 9.234 1.00 0.00 N ATOM 2190 CA VAL A 146 8.495 8.232 8.718 1.00 0.00 C ATOM 2191 C VAL A 146 9.724 8.848 8.043 1.00 0.00 C ATOM 2192 O VAL A 146 10.836 8.802 8.572 1.00 0.00 O ATOM 2193 CB VAL A 146 7.950 9.169 9.825 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.882 10.644 9.402 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.527 8.741 10.203 1.00 0.00 C ATOM 0 H VAL A 146 8.717 6.822 10.248 1.00 0.00 H new ATOM 0 HA VAL A 146 7.705 8.119 7.976 1.00 0.00 H new ATOM 0 HB VAL A 146 8.646 9.083 10.659 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.491 11.241 10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.881 10.994 9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.225 10.745 8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.144 9.400 10.982 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.883 8.803 9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.541 7.715 10.571 1.00 0.00 H new ATOM 2205 N ASN A 147 9.488 9.447 6.877 1.00 0.00 N ATOM 2206 CA ASN A 147 10.484 10.070 6.012 1.00 0.00 C ATOM 2207 C ASN A 147 9.937 11.382 5.419 1.00 0.00 C ATOM 2208 O ASN A 147 8.726 11.540 5.226 1.00 0.00 O ATOM 2209 CB ASN A 147 10.860 9.041 4.934 1.00 0.00 C ATOM 2210 CG ASN A 147 12.100 9.376 4.109 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.835 10.320 4.370 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.371 8.567 3.101 1.00 0.00 N ATOM 0 H ASN A 147 8.546 9.513 6.491 1.00 0.00 H new ATOM 0 HA ASN A 147 11.379 10.346 6.569 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.016 8.076 5.416 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.014 8.926 4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.201 8.725 2.529 1.00 0.00 H new ATOM 0 HD22 ASN A 147 11.751 7.784 2.894 1.00 0.00 H new ATOM 2219 N TYR A 148 10.834 12.335 5.161 1.00 0.00 N ATOM 2220 CA TYR A 148 10.514 13.712 4.774 1.00 0.00 C ATOM 2221 C TYR A 148 11.151 14.050 3.414 1.00 0.00 C ATOM 2222 O TYR A 148 12.375 14.006 3.259 1.00 0.00 O ATOM 2223 CB TYR A 148 10.985 14.673 5.880 1.00 0.00 C ATOM 2224 CG TYR A 148 10.584 14.282 7.296 1.00 0.00 C ATOM 2225 CD1 TYR A 148 9.228 14.285 7.683 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.571 13.893 8.225 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.864 13.909 8.991 1.00 0.00 C ATOM 2228 CE2 TYR A 148 11.214 13.517 9.534 1.00 0.00 C ATOM 2229 CZ TYR A 148 9.857 13.535 9.925 1.00 0.00 C ATOM 2230 OH TYR A 148 9.500 13.182 11.192 1.00 0.00 O ATOM 0 H TYR A 148 11.838 12.165 5.217 1.00 0.00 H new ATOM 0 HA TYR A 148 9.436 13.822 4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.072 14.748 5.835 1.00 0.00 H new ATOM 0 HB3 TYR A 148 10.588 15.666 5.669 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.466 14.576 6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.610 13.883 7.930 1.00 0.00 H new ATOM 0 HE1 TYR A 148 7.824 13.906 9.281 1.00 0.00 H new ATOM 0 HE2 TYR A 148 11.976 13.216 10.237 1.00 0.00 H new ATOM 0 HH TYR A 148 10.302 12.952 11.706 1.00 0.00 H new