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 65 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= 0 K(o=0.38,f=-0.82) USER MOD Set 1.3: A 147 ASN : amide:sc= 0.381 K(o=0.38,f=-3.3!) USER MOD Set 2.1: A 80 CYS SG : rot -78:sc= 0.32 USER MOD Set 2.2: A 82 THR OG1 : rot 146:sc= 0.771 USER MOD Set 3.1: A 24 THR OG1 : rot -71:sc= 0.894 USER MOD Set 3.2: A 35 SER OG : rot 180:sc= 0.786 USER MOD Single : A 19 THR OG1 : rot 97:sc= 0.122 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= 0.596 F(o=0.08,f=0.6) USER MOD Single : A 38 MET CE :methyl 151:sc=-0.00353 (180deg=-0.113) USER MOD Single : A 41 THR OG1 : rot -45:sc= 0.00313 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 140:sc= 0.613 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.354 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= -0.073 K(o=-0.073,f=-1.7!) USER MOD Single : A 73 SER OG : rot 41:sc= 1.03 USER MOD Single : A 76 SER OG : rot 114:sc= 1.13 USER MOD Single : A 81 GLN : amide:sc= 0.553 K(o=0.55,f=-0.032) 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 -62:sc=-0.00922 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 105 MET CE :methyl -118:sc= 0 (180deg=-0.31) USER MOD Single : A 140 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.38) USER MOD Single : A 143 CYS SG : rot 170:sc= -0.0961 USER MOD Single : A 145 ASN : amide:sc= 0.618 K(o=0.62,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.308 -0.047 -11.532 1.00 0.00 N ATOM 234 CA THR A 19 6.795 1.258 -11.052 1.00 0.00 C ATOM 235 C THR A 19 5.332 1.229 -10.616 1.00 0.00 C ATOM 236 O THR A 19 4.942 2.034 -9.770 1.00 0.00 O ATOM 237 CB THR A 19 7.009 2.386 -12.072 1.00 0.00 C ATOM 238 OG1 THR A 19 6.224 2.162 -13.223 1.00 0.00 O ATOM 239 CG2 THR A 19 8.472 2.534 -12.500 1.00 0.00 C ATOM 0 HA THR A 19 7.392 1.467 -10.164 1.00 0.00 H new ATOM 0 HB THR A 19 6.709 3.308 -11.573 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.391 2.673 -13.155 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.560 3.347 -13.221 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.086 2.756 -11.627 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.813 1.605 -12.957 1.00 0.00 H new ATOM 247 N LYS A 20 4.543 0.276 -11.120 1.00 0.00 N ATOM 248 CA LYS A 20 3.176 0.016 -10.667 1.00 0.00 C ATOM 249 C LYS A 20 3.129 -1.066 -9.576 1.00 0.00 C ATOM 250 O LYS A 20 3.910 -2.022 -9.598 1.00 0.00 O ATOM 251 CB LYS A 20 2.266 -0.364 -11.849 1.00 0.00 C ATOM 252 CG LYS A 20 2.053 0.793 -12.835 1.00 0.00 C ATOM 253 CD LYS A 20 1.068 0.392 -13.941 1.00 0.00 C ATOM 254 CE LYS A 20 0.873 1.560 -14.915 1.00 0.00 C ATOM 255 NZ LYS A 20 -0.110 1.238 -15.984 1.00 0.00 N ATOM 0 H LYS A 20 4.844 -0.348 -11.869 1.00 0.00 H new ATOM 0 HA LYS A 20 2.802 0.941 -10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.702 -1.211 -12.379 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.299 -0.691 -11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.674 1.665 -12.303 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.007 1.080 -13.278 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.444 -0.480 -14.476 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.111 0.109 -13.503 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.535 2.438 -14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.830 1.817 -15.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.211 2.055 -16.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.224 0.416 -16.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.031 1.018 -15.554 1.00 0.00 H new ATOM 269 N PHE A 21 2.175 -0.944 -8.647 1.00 0.00 N ATOM 270 CA PHE A 21 2.022 -1.837 -7.495 1.00 0.00 C ATOM 271 C PHE A 21 0.543 -2.089 -7.185 1.00 0.00 C ATOM 272 O PHE A 21 -0.233 -1.153 -7.000 1.00 0.00 O ATOM 273 CB PHE A 21 2.733 -1.233 -6.270 1.00 0.00 C ATOM 274 CG PHE A 21 4.209 -0.929 -6.456 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.176 -1.901 -6.142 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.620 0.338 -6.915 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.543 -1.606 -6.277 1.00 0.00 C ATOM 278 CE2 PHE A 21 5.989 0.630 -7.048 1.00 0.00 C ATOM 279 CZ PHE A 21 6.953 -0.339 -6.728 1.00 0.00 C ATOM 0 H PHE A 21 1.472 -0.205 -8.676 1.00 0.00 H new ATOM 0 HA PHE A 21 2.479 -2.796 -7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.222 -0.311 -5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.624 -1.922 -5.432 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.867 -2.876 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.882 1.086 -7.165 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.282 -2.355 -6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.300 1.603 -7.398 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.004 -0.112 -6.828 1.00 0.00 H new ATOM 289 N LYS A 22 0.150 -3.361 -7.086 1.00 0.00 N ATOM 290 CA LYS A 22 -1.171 -3.766 -6.588 1.00 0.00 C ATOM 291 C LYS A 22 -1.333 -3.324 -5.118 1.00 0.00 C ATOM 292 O LYS A 22 -0.464 -3.614 -4.291 1.00 0.00 O ATOM 293 CB LYS A 22 -1.296 -5.298 -6.718 1.00 0.00 C ATOM 294 CG LYS A 22 -1.253 -5.826 -8.162 1.00 0.00 C ATOM 295 CD LYS A 22 -2.569 -5.593 -8.914 1.00 0.00 C ATOM 296 CE LYS A 22 -2.450 -6.122 -10.352 1.00 0.00 C ATOM 297 NZ LYS A 22 -3.748 -6.070 -11.077 1.00 0.00 N ATOM 0 H LYS A 22 0.743 -4.147 -7.351 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.959 -3.290 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.490 -5.764 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.233 -5.613 -6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.440 -5.338 -8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.030 -6.893 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.387 -6.097 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.807 -4.529 -8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.709 -5.534 -10.894 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.088 -7.150 -10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.621 -6.436 -12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.449 -6.651 -10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.082 -5.086 -11.121 1.00 0.00 H new ATOM 311 N VAL A 23 -2.424 -2.628 -4.793 1.00 0.00 N ATOM 312 CA VAL A 23 -2.683 -2.057 -3.454 1.00 0.00 C ATOM 313 C VAL A 23 -4.148 -2.223 -3.037 1.00 0.00 C ATOM 314 O VAL A 23 -5.037 -2.204 -3.889 1.00 0.00 O ATOM 315 CB VAL A 23 -2.289 -0.562 -3.358 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.764 -0.371 -3.346 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.939 0.341 -4.418 1.00 0.00 C ATOM 0 H VAL A 23 -3.171 -2.437 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.051 -2.622 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.694 -0.236 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.531 0.692 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.339 -0.892 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.339 -0.777 -4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.606 1.369 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.649 0.002 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.024 0.294 -4.321 1.00 0.00 H new ATOM 327 N THR A 24 -4.395 -2.341 -1.726 1.00 0.00 N ATOM 328 CA THR A 24 -5.731 -2.414 -1.113 1.00 0.00 C ATOM 329 C THR A 24 -5.798 -1.373 -0.007 1.00 0.00 C ATOM 330 O THR A 24 -5.029 -1.451 0.946 1.00 0.00 O ATOM 331 CB THR A 24 -5.981 -3.820 -0.547 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.858 -4.772 -1.581 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.378 -3.960 0.061 1.00 0.00 C ATOM 0 H THR A 24 -3.644 -2.390 -1.037 1.00 0.00 H new ATOM 0 HA THR A 24 -6.501 -2.215 -1.859 1.00 0.00 H new ATOM 0 HB THR A 24 -5.242 -3.986 0.237 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.619 -4.690 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.507 -4.971 0.448 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.495 -3.243 0.874 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.129 -3.766 -0.705 1.00 0.00 H new ATOM 341 N ASN A 25 -6.687 -0.389 -0.129 1.00 0.00 N ATOM 342 CA ASN A 25 -6.880 0.648 0.891 1.00 0.00 C ATOM 343 C ASN A 25 -7.534 0.055 2.153 1.00 0.00 C ATOM 344 O ASN A 25 -8.479 -0.732 2.035 1.00 0.00 O ATOM 345 CB ASN A 25 -7.734 1.778 0.289 1.00 0.00 C ATOM 346 CG ASN A 25 -7.867 2.986 1.214 1.00 0.00 C ATOM 347 OD1 ASN A 25 -6.777 3.659 1.532 1.00 0.00 O flip ATOM 348 ND2 ASN A 25 -8.952 3.341 1.655 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.297 -0.285 -0.940 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.915 1.055 1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.291 2.097 -0.654 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.727 1.392 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.796 2.823 1.411 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.012 4.155 2.267 1.00 0.00 H new ATOM 355 N VAL A 26 -7.049 0.429 3.345 1.00 0.00 N ATOM 356 CA VAL A 26 -7.542 -0.118 4.623 1.00 0.00 C ATOM 357 C VAL A 26 -7.898 0.968 5.641 1.00 0.00 C ATOM 358 O VAL A 26 -7.330 2.061 5.632 1.00 0.00 O ATOM 359 CB VAL A 26 -6.588 -1.165 5.247 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.412 -2.401 4.351 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.202 -0.608 5.606 1.00 0.00 C ATOM 0 H VAL A 26 -6.305 1.118 3.454 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.465 -0.637 4.364 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.082 -1.454 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.734 -3.106 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.380 -2.878 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.997 -2.097 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.592 -1.401 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.719 -0.227 4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.311 0.200 6.329 1.00 0.00 H new ATOM 371 N ASP A 27 -8.853 0.645 6.519 1.00 0.00 N ATOM 372 CA ASP A 27 -9.286 1.486 7.641 1.00 0.00 C ATOM 373 C ASP A 27 -8.397 1.336 8.895 1.00 0.00 C ATOM 374 O ASP A 27 -7.343 0.695 8.870 1.00 0.00 O ATOM 375 CB ASP A 27 -10.777 1.226 7.943 1.00 0.00 C ATOM 376 CG ASP A 27 -11.087 -0.070 8.713 1.00 0.00 C ATOM 377 OD1 ASP A 27 -10.197 -0.941 8.859 1.00 0.00 O ATOM 378 OD2 ASP A 27 -12.242 -0.207 9.180 1.00 0.00 O ATOM 0 H ASP A 27 -9.363 -0.237 6.467 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.168 2.527 7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.165 2.068 8.516 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.321 1.205 6.999 1.00 0.00 H new ATOM 383 N ASP A 28 -8.834 1.921 10.015 1.00 0.00 N ATOM 384 CA ASP A 28 -8.107 1.941 11.291 1.00 0.00 C ATOM 385 C ASP A 28 -7.988 0.573 11.993 1.00 0.00 C ATOM 386 O ASP A 28 -7.124 0.397 12.853 1.00 0.00 O ATOM 387 CB ASP A 28 -8.771 2.963 12.221 1.00 0.00 C ATOM 388 CG ASP A 28 -10.160 2.525 12.718 1.00 0.00 C ATOM 389 OD1 ASP A 28 -11.143 2.694 11.959 1.00 0.00 O ATOM 390 OD2 ASP A 28 -10.260 2.040 13.869 1.00 0.00 O ATOM 0 H ASP A 28 -9.729 2.408 10.061 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.080 2.223 11.058 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.123 3.135 13.081 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.864 3.914 11.696 1.00 0.00 H new ATOM 395 N GLU A 29 -8.825 -0.393 11.611 1.00 0.00 N ATOM 396 CA GLU A 29 -8.837 -1.765 12.073 1.00 0.00 C ATOM 397 C GLU A 29 -8.065 -2.689 11.095 1.00 0.00 C ATOM 398 O GLU A 29 -7.689 -3.807 11.459 1.00 0.00 O ATOM 399 CB GLU A 29 -10.332 -2.100 12.234 1.00 0.00 C ATOM 400 CG GLU A 29 -10.593 -3.589 12.355 1.00 0.00 C ATOM 401 CD GLU A 29 -12.041 -3.950 12.734 1.00 0.00 C ATOM 402 OE1 GLU A 29 -12.649 -3.276 13.601 1.00 0.00 O ATOM 403 OE2 GLU A 29 -12.572 -4.954 12.201 1.00 0.00 O ATOM 0 H GLU A 29 -9.558 -0.216 10.924 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.317 -1.916 13.019 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.719 -1.595 13.119 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.881 -1.708 11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.348 -4.067 11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.919 -4.004 13.105 1.00 0.00 H new ATOM 410 N GLY A 30 -7.785 -2.221 9.870 1.00 0.00 N ATOM 411 CA GLY A 30 -7.109 -2.973 8.806 1.00 0.00 C ATOM 412 C GLY A 30 -8.066 -3.731 7.878 1.00 0.00 C ATOM 413 O GLY A 30 -7.631 -4.653 7.190 1.00 0.00 O ATOM 0 H GLY A 30 -8.033 -1.274 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.511 -2.283 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.418 -3.684 9.259 1.00 0.00 H new ATOM 417 N VAL A 31 -9.351 -3.364 7.846 1.00 0.00 N ATOM 418 CA VAL A 31 -10.382 -3.966 6.978 1.00 0.00 C ATOM 419 C VAL A 31 -10.106 -3.592 5.519 1.00 0.00 C ATOM 420 O VAL A 31 -9.923 -2.417 5.211 1.00 0.00 O ATOM 421 CB VAL A 31 -11.814 -3.510 7.365 1.00 0.00 C ATOM 422 CG1 VAL A 31 -12.879 -4.193 6.489 1.00 0.00 C ATOM 423 CG2 VAL A 31 -12.123 -3.830 8.837 1.00 0.00 C ATOM 0 H VAL A 31 -9.718 -2.619 8.438 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.332 -5.047 7.110 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.848 -2.432 7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.870 -3.851 6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.707 -3.939 5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.815 -5.274 6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.133 -3.498 9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.046 -4.905 9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.409 -3.314 9.479 1.00 0.00 H new ATOM 433 N GLU A 32 -10.098 -4.584 4.623 1.00 0.00 N ATOM 434 CA GLU A 32 -9.923 -4.396 3.177 1.00 0.00 C ATOM 435 C GLU A 32 -11.171 -3.733 2.568 1.00 0.00 C ATOM 436 O GLU A 32 -12.245 -4.341 2.513 1.00 0.00 O ATOM 437 CB GLU A 32 -9.647 -5.754 2.506 1.00 0.00 C ATOM 438 CG GLU A 32 -8.313 -6.376 2.940 1.00 0.00 C ATOM 439 CD GLU A 32 -8.149 -7.787 2.354 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.652 -8.761 2.965 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.506 -7.938 1.289 1.00 0.00 O ATOM 0 H GLU A 32 -10.216 -5.562 4.887 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.071 -3.739 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.458 -6.443 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.647 -5.625 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.488 -5.743 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.266 -6.422 4.028 1.00 0.00 H new ATOM 448 N LEU A 33 -11.039 -2.477 2.125 1.00 0.00 N ATOM 449 CA LEU A 33 -12.168 -1.656 1.661 1.00 0.00 C ATOM 450 C LEU A 33 -12.372 -1.760 0.146 1.00 0.00 C ATOM 451 O LEU A 33 -13.476 -2.039 -0.324 1.00 0.00 O ATOM 452 CB LEU A 33 -11.926 -0.191 2.068 1.00 0.00 C ATOM 453 CG LEU A 33 -11.683 0.055 3.570 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.465 1.553 3.773 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.839 -0.447 4.446 1.00 0.00 C ATOM 0 H LEU A 33 -10.140 -1.997 2.077 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.078 -2.030 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.065 0.183 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.787 0.400 1.757 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.804 -0.510 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.290 1.755 4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.600 1.877 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.349 2.098 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.614 -0.248 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.758 0.069 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.967 -1.520 4.300 1.00 0.00 H new ATOM 467 N GLY A 34 -11.293 -1.532 -0.605 1.00 0.00 N ATOM 468 CA GLY A 34 -11.240 -1.592 -2.068 1.00 0.00 C ATOM 469 C GLY A 34 -9.809 -1.587 -2.591 1.00 0.00 C ATOM 470 O GLY A 34 -8.885 -1.177 -1.889 1.00 0.00 O ATOM 0 H GLY A 34 -10.392 -1.290 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.748 -2.493 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.781 -0.742 -2.485 1.00 0.00 H new ATOM 474 N SER A 35 -9.622 -2.029 -3.829 1.00 0.00 N ATOM 475 CA SER A 35 -8.294 -2.282 -4.404 1.00 0.00 C ATOM 476 C SER A 35 -8.072 -1.566 -5.742 1.00 0.00 C ATOM 477 O SER A 35 -9.012 -1.251 -6.478 1.00 0.00 O ATOM 478 CB SER A 35 -8.071 -3.791 -4.566 1.00 0.00 C ATOM 479 OG SER A 35 -8.099 -4.474 -3.325 1.00 0.00 O ATOM 0 H SER A 35 -10.389 -2.225 -4.472 1.00 0.00 H new ATOM 0 HA SER A 35 -7.564 -1.872 -3.706 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.839 -4.201 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.111 -3.964 -5.052 1.00 0.00 H new ATOM 0 HG SER A 35 -7.954 -5.432 -3.475 1.00 0.00 H new ATOM 485 N GLY A 36 -6.801 -1.291 -6.039 1.00 0.00 N ATOM 486 CA GLY A 36 -6.344 -0.543 -7.207 1.00 0.00 C ATOM 487 C GLY A 36 -4.869 -0.775 -7.524 1.00 0.00 C ATOM 488 O GLY A 36 -4.189 -1.579 -6.877 1.00 0.00 O ATOM 0 H GLY A 36 -6.030 -1.598 -5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.945 -0.827 -8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.511 0.521 -7.038 1.00 0.00 H new ATOM 492 N VAL A 37 -4.386 -0.055 -8.533 1.00 0.00 N ATOM 493 CA VAL A 37 -2.991 -0.081 -8.989 1.00 0.00 C ATOM 494 C VAL A 37 -2.356 1.284 -8.723 1.00 0.00 C ATOM 495 O VAL A 37 -2.691 2.280 -9.364 1.00 0.00 O ATOM 496 CB VAL A 37 -2.890 -0.464 -10.485 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.424 -0.512 -10.945 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.520 -1.842 -10.753 1.00 0.00 C ATOM 0 H VAL A 37 -4.969 0.583 -9.075 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.449 -0.846 -8.433 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.430 0.302 -11.041 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.382 -0.784 -12.000 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.966 0.467 -10.804 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.883 -1.254 -10.358 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.433 -2.082 -11.813 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.001 -2.600 -10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.573 -1.822 -10.471 1.00 0.00 H new ATOM 508 N MET A 38 -1.428 1.318 -7.769 1.00 0.00 N ATOM 509 CA MET A 38 -0.590 2.475 -7.457 1.00 0.00 C ATOM 510 C MET A 38 0.430 2.686 -8.584 1.00 0.00 C ATOM 511 O MET A 38 0.967 1.715 -9.111 1.00 0.00 O ATOM 512 CB MET A 38 0.098 2.218 -6.105 1.00 0.00 C ATOM 513 CG MET A 38 0.753 3.464 -5.504 1.00 0.00 C ATOM 514 SD MET A 38 -0.397 4.750 -4.956 1.00 0.00 S ATOM 515 CE MET A 38 -0.940 4.064 -3.374 1.00 0.00 C ATOM 0 H MET A 38 -1.232 0.515 -7.172 1.00 0.00 H new ATOM 0 HA MET A 38 -1.187 3.384 -7.381 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.637 1.829 -5.401 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.856 1.445 -6.234 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.364 3.160 -4.655 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.427 3.894 -6.245 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.206 4.876 -2.697 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.809 3.425 -3.533 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.133 3.476 -2.936 1.00 0.00 H new ATOM 525 N GLU A 39 0.704 3.938 -8.943 1.00 0.00 N ATOM 526 CA GLU A 39 1.676 4.353 -9.963 1.00 0.00 C ATOM 527 C GLU A 39 2.457 5.580 -9.474 1.00 0.00 C ATOM 528 O GLU A 39 1.903 6.502 -8.869 1.00 0.00 O ATOM 529 CB GLU A 39 0.956 4.653 -11.291 1.00 0.00 C ATOM 530 CG GLU A 39 1.828 5.287 -12.389 1.00 0.00 C ATOM 531 CD GLU A 39 2.884 4.339 -12.978 1.00 0.00 C ATOM 532 OE1 GLU A 39 3.855 3.995 -12.268 1.00 0.00 O ATOM 533 OE2 GLU A 39 2.750 3.973 -14.168 1.00 0.00 O ATOM 0 H GLU A 39 0.233 4.733 -8.512 1.00 0.00 H new ATOM 0 HA GLU A 39 2.383 3.541 -10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.538 3.723 -11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.118 5.319 -11.087 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.182 5.638 -13.193 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.330 6.163 -11.978 1.00 0.00 H new ATOM 540 N LEU A 40 3.755 5.603 -9.757 1.00 0.00 N ATOM 541 CA LEU A 40 4.687 6.621 -9.278 1.00 0.00 C ATOM 542 C LEU A 40 5.506 7.134 -10.466 1.00 0.00 C ATOM 543 O LEU A 40 6.266 6.377 -11.078 1.00 0.00 O ATOM 544 CB LEU A 40 5.585 6.032 -8.167 1.00 0.00 C ATOM 545 CG LEU A 40 5.058 6.171 -6.722 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.999 5.134 -6.332 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.228 6.050 -5.740 1.00 0.00 C ATOM 0 H LEU A 40 4.201 4.896 -10.341 1.00 0.00 H new ATOM 0 HA LEU A 40 4.146 7.461 -8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.739 4.973 -8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.561 6.513 -8.224 1.00 0.00 H new ATOM 0 HG LEU A 40 4.579 7.149 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.685 5.305 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.138 5.226 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.420 4.133 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.858 6.148 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.706 5.078 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.954 6.838 -5.940 1.00 0.00 H new ATOM 559 N THR A 41 5.352 8.426 -10.782 1.00 0.00 N ATOM 560 CA THR A 41 6.056 9.107 -11.883 1.00 0.00 C ATOM 561 C THR A 41 6.892 10.248 -11.321 1.00 0.00 C ATOM 562 O THR A 41 6.580 10.787 -10.266 1.00 0.00 O ATOM 563 CB THR A 41 5.081 9.608 -12.966 1.00 0.00 C ATOM 564 OG1 THR A 41 4.464 10.809 -12.552 1.00 0.00 O ATOM 565 CG2 THR A 41 3.992 8.586 -13.321 1.00 0.00 C ATOM 0 H THR A 41 4.721 9.043 -10.270 1.00 0.00 H new ATOM 0 HA THR A 41 6.715 8.387 -12.369 1.00 0.00 H new ATOM 0 HB THR A 41 5.682 9.772 -13.861 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.178 10.725 -11.618 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.340 9.001 -14.089 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.457 7.674 -13.695 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.405 8.356 -12.432 1.00 0.00 H new ATOM 573 N GLN A 42 7.938 10.668 -12.031 1.00 0.00 N ATOM 574 CA GLN A 42 8.784 11.795 -11.599 1.00 0.00 C ATOM 575 C GLN A 42 8.047 13.149 -11.529 1.00 0.00 C ATOM 576 O GLN A 42 8.639 14.143 -11.106 1.00 0.00 O ATOM 577 CB GLN A 42 10.076 11.882 -12.430 1.00 0.00 C ATOM 578 CG GLN A 42 9.889 11.664 -13.938 1.00 0.00 C ATOM 579 CD GLN A 42 11.166 11.964 -14.721 1.00 0.00 C ATOM 580 OE1 GLN A 42 12.276 11.699 -14.276 1.00 0.00 O ATOM 581 NE2 GLN A 42 11.064 12.540 -15.899 1.00 0.00 N ATOM 0 H GLN A 42 8.226 10.246 -12.914 1.00 0.00 H new ATOM 0 HA GLN A 42 9.061 11.573 -10.568 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.527 12.862 -12.272 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.783 11.142 -12.055 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.585 10.633 -14.121 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.083 12.303 -14.300 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.144 12.765 -16.279 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.904 12.762 -16.433 1.00 0.00 H new ATOM 590 N SER A 43 6.758 13.203 -11.879 1.00 0.00 N ATOM 591 CA SER A 43 5.909 14.371 -11.649 1.00 0.00 C ATOM 592 C SER A 43 5.080 14.280 -10.349 1.00 0.00 C ATOM 593 O SER A 43 4.894 15.314 -9.702 1.00 0.00 O ATOM 594 CB SER A 43 4.962 14.582 -12.842 1.00 0.00 C ATOM 595 OG SER A 43 5.669 14.798 -14.060 1.00 0.00 O ATOM 0 H SER A 43 6.273 12.430 -12.334 1.00 0.00 H new ATOM 0 HA SER A 43 6.583 15.221 -11.541 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.316 13.711 -12.949 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.315 15.436 -12.643 1.00 0.00 H new ATOM 0 HG SER A 43 5.029 14.926 -14.791 1.00 0.00 H new ATOM 601 N GLU A 44 4.573 13.098 -9.955 1.00 0.00 N ATOM 602 CA GLU A 44 3.599 12.924 -8.861 1.00 0.00 C ATOM 603 C GLU A 44 3.267 11.448 -8.559 1.00 0.00 C ATOM 604 O GLU A 44 3.545 10.532 -9.339 1.00 0.00 O ATOM 605 CB GLU A 44 2.299 13.720 -9.130 1.00 0.00 C ATOM 606 CG GLU A 44 1.505 13.264 -10.360 1.00 0.00 C ATOM 607 CD GLU A 44 0.344 14.219 -10.697 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.234 14.850 -9.781 1.00 0.00 O ATOM 609 OE2 GLU A 44 0.001 14.339 -11.898 1.00 0.00 O ATOM 0 H GLU A 44 4.835 12.217 -10.398 1.00 0.00 H new ATOM 0 HA GLU A 44 4.086 13.325 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.656 13.645 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.553 14.773 -9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.175 13.195 -11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.109 12.264 -10.183 1.00 0.00 H new ATOM 616 N LEU A 45 2.608 11.227 -7.418 1.00 0.00 N ATOM 617 CA LEU A 45 2.001 9.953 -7.032 1.00 0.00 C ATOM 618 C LEU A 45 0.619 9.832 -7.700 1.00 0.00 C ATOM 619 O LEU A 45 -0.138 10.803 -7.717 1.00 0.00 O ATOM 620 CB LEU A 45 1.898 9.918 -5.488 1.00 0.00 C ATOM 621 CG LEU A 45 2.334 8.588 -4.856 1.00 0.00 C ATOM 622 CD1 LEU A 45 2.200 8.651 -3.333 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.499 7.415 -5.357 1.00 0.00 C ATOM 0 H LEU A 45 2.479 11.955 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 45 2.605 9.107 -7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.510 10.720 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.867 10.123 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 45 3.374 8.432 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.513 7.701 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.830 9.451 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.161 8.846 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.843 6.495 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.451 7.582 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.606 7.328 -6.438 1.00 0.00 H new ATOM 635 N VAL A 46 0.277 8.659 -8.236 1.00 0.00 N ATOM 636 CA VAL A 46 -0.989 8.377 -8.936 1.00 0.00 C ATOM 637 C VAL A 46 -1.551 7.028 -8.448 1.00 0.00 C ATOM 638 O VAL A 46 -0.800 6.148 -8.034 1.00 0.00 O ATOM 639 CB VAL A 46 -0.779 8.380 -10.475 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.104 8.201 -11.242 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.107 9.671 -10.979 1.00 0.00 C ATOM 0 H VAL A 46 0.892 7.847 -8.196 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.712 9.160 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.122 7.533 -10.670 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.908 8.209 -12.314 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.560 7.251 -10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.783 9.016 -10.991 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.015 9.619 -12.061 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.730 10.529 -10.725 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.870 9.780 -10.508 1.00 0.00 H new ATOM 651 N LEU A 47 -2.872 6.846 -8.492 1.00 0.00 N ATOM 652 CA LEU A 47 -3.552 5.612 -8.090 1.00 0.00 C ATOM 653 C LEU A 47 -4.788 5.396 -8.970 1.00 0.00 C ATOM 654 O LEU A 47 -5.670 6.254 -9.037 1.00 0.00 O ATOM 655 CB LEU A 47 -3.901 5.701 -6.590 1.00 0.00 C ATOM 656 CG LEU A 47 -3.926 4.358 -5.830 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.454 4.578 -4.410 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.744 3.261 -6.506 1.00 0.00 C ATOM 0 H LEU A 47 -3.514 7.569 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.904 4.747 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.179 6.358 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.879 6.173 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.894 4.006 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.470 3.628 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.804 5.278 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.464 4.985 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.705 2.354 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.779 3.587 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.332 3.057 -7.494 1.00 0.00 H new ATOM 670 N HIS A 48 -4.839 4.247 -9.640 1.00 0.00 N ATOM 671 CA HIS A 48 -5.897 3.822 -10.558 1.00 0.00 C ATOM 672 C HIS A 48 -6.822 2.779 -9.898 1.00 0.00 C ATOM 673 O HIS A 48 -6.334 1.765 -9.387 1.00 0.00 O ATOM 674 CB HIS A 48 -5.213 3.233 -11.802 1.00 0.00 C ATOM 675 CG HIS A 48 -4.306 4.206 -12.510 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.728 5.262 -13.319 1.00 0.00 N ATOM 677 CD2 HIS A 48 -2.942 4.198 -12.459 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.602 5.863 -13.740 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.514 5.247 -13.244 1.00 0.00 N ATOM 0 H HIS A 48 -4.102 3.547 -9.553 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.524 4.671 -10.829 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.634 2.358 -11.508 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.978 2.890 -12.498 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.320 3.506 -11.911 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.574 6.725 -14.390 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.544 5.510 -13.418 1.00 0.00 H new ATOM 687 N LEU A 49 -8.141 3.005 -9.908 1.00 0.00 N ATOM 688 CA LEU A 49 -9.157 2.137 -9.295 1.00 0.00 C ATOM 689 C LEU A 49 -10.271 1.784 -10.296 1.00 0.00 C ATOM 690 O LEU A 49 -10.448 2.456 -11.312 1.00 0.00 O ATOM 691 CB LEU A 49 -9.759 2.829 -8.052 1.00 0.00 C ATOM 692 CG LEU A 49 -8.742 3.285 -6.982 1.00 0.00 C ATOM 693 CD1 LEU A 49 -8.334 4.758 -7.162 1.00 0.00 C ATOM 694 CD2 LEU A 49 -9.360 3.133 -5.590 1.00 0.00 C ATOM 0 H LEU A 49 -8.546 3.826 -10.359 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.672 1.209 -8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.326 3.699 -8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.468 2.145 -7.585 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.856 2.660 -7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.618 5.034 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.878 4.892 -8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.217 5.392 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.642 3.455 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.258 3.747 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.621 2.088 -5.420 1.00 0.00 H new ATOM 786 N ALA A 54 -9.364 7.963 -11.048 1.00 0.00 N ATOM 787 CA ALA A 54 -7.947 7.939 -10.675 1.00 0.00 C ATOM 788 C ALA A 54 -7.585 9.104 -9.730 1.00 0.00 C ATOM 789 O ALA A 54 -8.035 10.238 -9.925 1.00 0.00 O ATOM 790 CB ALA A 54 -7.096 7.938 -11.952 1.00 0.00 C ATOM 0 HA ALA A 54 -7.737 7.028 -10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.039 7.920 -11.685 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.335 7.057 -12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.309 8.836 -12.532 1.00 0.00 H new ATOM 796 N VAL A 55 -6.762 8.829 -8.716 1.00 0.00 N ATOM 797 CA VAL A 55 -6.452 9.754 -7.609 1.00 0.00 C ATOM 798 C VAL A 55 -4.970 10.123 -7.611 1.00 0.00 C ATOM 799 O VAL A 55 -4.115 9.242 -7.590 1.00 0.00 O ATOM 800 CB VAL A 55 -6.850 9.170 -6.234 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.668 10.230 -5.138 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.316 8.712 -6.213 1.00 0.00 C ATOM 0 H VAL A 55 -6.277 7.935 -8.634 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.045 10.654 -7.772 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.204 8.311 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.951 9.808 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.625 10.544 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.299 11.092 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.557 8.308 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.966 9.561 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.467 7.942 -6.969 1.00 0.00 H new ATOM 812 N ARG A 56 -4.684 11.428 -7.646 1.00 0.00 N ATOM 813 CA ARG A 56 -3.341 11.991 -7.799 1.00 0.00 C ATOM 814 C ARG A 56 -2.931 12.826 -6.580 1.00 0.00 C ATOM 815 O ARG A 56 -3.727 13.624 -6.073 1.00 0.00 O ATOM 816 CB ARG A 56 -3.329 12.873 -9.053 1.00 0.00 C ATOM 817 CG ARG A 56 -3.671 12.085 -10.330 1.00 0.00 C ATOM 818 CD ARG A 56 -3.866 13.009 -11.535 1.00 0.00 C ATOM 819 NE ARG A 56 -5.042 13.893 -11.398 1.00 0.00 N ATOM 820 CZ ARG A 56 -6.320 13.557 -11.549 1.00 0.00 C ATOM 821 NH1 ARG A 56 -6.692 12.330 -11.843 1.00 0.00 N ATOM 822 NH2 ARG A 56 -7.257 14.468 -11.396 1.00 0.00 N ATOM 0 H ARG A 56 -5.406 12.144 -7.566 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.627 11.173 -7.890 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.045 13.686 -8.929 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.345 13.329 -9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.873 11.374 -10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.579 11.505 -10.166 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.973 13.619 -11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.975 12.405 -12.436 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.853 14.867 -11.162 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.991 11.599 -11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.682 12.109 -11.951 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.002 15.428 -11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.238 14.215 -11.511 1.00 0.00 H new ATOM 836 N TRP A 57 -1.668 12.697 -6.163 1.00 0.00 N ATOM 837 CA TRP A 57 -1.044 13.488 -5.097 1.00 0.00 C ATOM 838 C TRP A 57 0.324 14.039 -5.559 1.00 0.00 C ATOM 839 O TRP A 57 1.270 13.254 -5.694 1.00 0.00 O ATOM 840 CB TRP A 57 -0.891 12.624 -3.836 1.00 0.00 C ATOM 841 CG TRP A 57 -2.169 12.102 -3.257 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.038 12.823 -2.520 1.00 0.00 C ATOM 843 CD2 TRP A 57 -2.744 10.762 -3.358 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.099 12.026 -2.134 1.00 0.00 N ATOM 845 CE2 TRP A 57 -3.949 10.735 -2.592 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.363 9.565 -4.009 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -4.710 9.566 -2.440 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.135 8.396 -3.880 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.298 8.392 -3.093 1.00 0.00 C ATOM 0 H TRP A 57 -1.029 12.015 -6.572 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.683 14.339 -4.863 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.246 11.777 -4.072 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.379 13.211 -3.073 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.922 13.867 -2.269 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.892 12.352 -1.581 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.468 9.548 -4.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.601 9.569 -1.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.831 7.494 -4.390 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.876 7.486 -2.990 1.00 0.00 H new ATOM 860 N PRO A 58 0.463 15.363 -5.791 1.00 0.00 N ATOM 861 CA PRO A 58 1.748 15.972 -6.120 1.00 0.00 C ATOM 862 C PRO A 58 2.700 15.860 -4.932 1.00 0.00 C ATOM 863 O PRO A 58 2.297 16.020 -3.780 1.00 0.00 O ATOM 864 CB PRO A 58 1.460 17.430 -6.487 1.00 0.00 C ATOM 865 CG PRO A 58 0.114 17.729 -5.837 1.00 0.00 C ATOM 866 CD PRO A 58 -0.587 16.374 -5.751 1.00 0.00 C ATOM 0 HA PRO A 58 2.234 15.467 -6.955 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.238 18.095 -6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.418 17.566 -7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.241 18.172 -4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.464 18.436 -6.432 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.167 16.295 -4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.283 16.244 -6.580 1.00 0.00 H new ATOM 874 N TYR A 59 3.976 15.589 -5.211 1.00 0.00 N ATOM 875 CA TYR A 59 4.972 15.281 -4.178 1.00 0.00 C ATOM 876 C TYR A 59 5.261 16.454 -3.229 1.00 0.00 C ATOM 877 O TYR A 59 5.577 16.241 -2.059 1.00 0.00 O ATOM 878 CB TYR A 59 6.260 14.808 -4.860 1.00 0.00 C ATOM 879 CG TYR A 59 6.210 13.489 -5.618 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.368 12.435 -5.207 1.00 0.00 C ATOM 881 CD2 TYR A 59 7.087 13.291 -6.705 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.407 11.197 -5.870 1.00 0.00 C ATOM 883 CE2 TYR A 59 7.136 12.048 -7.364 1.00 0.00 C ATOM 884 CZ TYR A 59 6.300 10.992 -6.939 1.00 0.00 C ATOM 885 OH TYR A 59 6.346 9.775 -7.547 1.00 0.00 O ATOM 0 H TYR A 59 4.350 15.576 -6.160 1.00 0.00 H new ATOM 0 HA TYR A 59 4.557 14.494 -3.549 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.577 15.584 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.035 14.729 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.690 12.580 -4.379 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.725 14.098 -7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.749 10.399 -5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.812 11.902 -8.194 1.00 0.00 H new ATOM 0 HH TYR A 59 6.443 9.896 -8.515 1.00 0.00 H new ATOM 895 N LEU A 60 5.067 17.688 -3.703 1.00 0.00 N ATOM 896 CA LEU A 60 5.140 18.908 -2.893 1.00 0.00 C ATOM 897 C LEU A 60 3.974 19.045 -1.898 1.00 0.00 C ATOM 898 O LEU A 60 4.142 19.669 -0.850 1.00 0.00 O ATOM 899 CB LEU A 60 5.326 20.155 -3.780 1.00 0.00 C ATOM 900 CG LEU A 60 4.354 20.274 -4.972 1.00 0.00 C ATOM 901 CD1 LEU A 60 3.979 21.741 -5.211 1.00 0.00 C ATOM 902 CD2 LEU A 60 4.981 19.699 -6.253 1.00 0.00 C ATOM 0 H LEU A 60 4.850 17.871 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 60 6.030 18.823 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.218 21.042 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.346 20.157 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 60 3.458 19.703 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.293 21.808 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.498 22.144 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.879 22.316 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.275 19.795 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.893 20.247 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.220 18.646 -6.100 1.00 0.00 H new ATOM 914 N CYS A 61 2.820 18.414 -2.158 1.00 0.00 N ATOM 915 CA CYS A 61 1.706 18.360 -1.201 1.00 0.00 C ATOM 916 C CYS A 61 1.808 17.208 -0.185 1.00 0.00 C ATOM 917 O CYS A 61 1.022 17.190 0.761 1.00 0.00 O ATOM 918 CB CYS A 61 0.369 18.349 -1.958 1.00 0.00 C ATOM 919 SG CYS A 61 0.114 19.974 -2.734 1.00 0.00 S ATOM 0 H CYS A 61 2.633 17.928 -3.035 1.00 0.00 H new ATOM 0 HA CYS A 61 1.764 19.263 -0.593 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.372 17.566 -2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.449 18.126 -1.273 1.00 0.00 H new ATOM 0 HG CYS A 61 -1.014 19.974 -3.379 1.00 0.00 H new ATOM 925 N LEU A 62 2.776 16.289 -0.287 1.00 0.00 N ATOM 926 CA LEU A 62 3.008 15.282 0.760 1.00 0.00 C ATOM 927 C LEU A 62 3.629 15.952 1.998 1.00 0.00 C ATOM 928 O LEU A 62 4.720 16.521 1.919 1.00 0.00 O ATOM 929 CB LEU A 62 3.898 14.139 0.227 1.00 0.00 C ATOM 930 CG LEU A 62 3.295 13.324 -0.936 1.00 0.00 C ATOM 931 CD1 LEU A 62 4.316 12.269 -1.383 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.979 12.630 -0.550 1.00 0.00 C ATOM 0 H LEU A 62 3.411 16.221 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 62 2.055 14.842 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.847 14.562 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.119 13.459 1.049 1.00 0.00 H new ATOM 0 HG LEU A 62 3.068 14.017 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.901 11.686 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.229 12.764 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.544 11.607 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.598 12.071 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.158 11.947 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.246 13.380 -0.251 1.00 0.00 H new ATOM 944 N ARG A 63 2.933 15.891 3.141 1.00 0.00 N ATOM 945 CA ARG A 63 3.422 16.425 4.426 1.00 0.00 C ATOM 946 C ARG A 63 4.462 15.493 5.069 1.00 0.00 C ATOM 947 O ARG A 63 5.411 15.965 5.697 1.00 0.00 O ATOM 948 CB ARG A 63 2.239 16.632 5.393 1.00 0.00 C ATOM 949 CG ARG A 63 1.597 18.030 5.387 1.00 0.00 C ATOM 950 CD ARG A 63 0.868 18.431 4.095 1.00 0.00 C ATOM 951 NE ARG A 63 1.778 18.871 3.019 1.00 0.00 N ATOM 952 CZ ARG A 63 2.462 20.010 2.961 1.00 0.00 C ATOM 953 NH1 ARG A 63 2.366 20.932 3.898 1.00 0.00 N ATOM 954 NH2 ARG A 63 3.263 20.259 1.947 1.00 0.00 N ATOM 0 H ARG A 63 2.007 15.467 3.204 1.00 0.00 H new ATOM 0 HA ARG A 63 3.906 17.381 4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.468 15.899 5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.581 16.416 6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.888 18.086 6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.376 18.767 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.281 17.584 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.166 19.234 4.318 1.00 0.00 H new ATOM 0 HE ARG A 63 1.895 18.231 2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.753 20.783 4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.905 21.794 3.822 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.363 19.575 1.197 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.783 21.136 1.911 1.00 0.00 H new ATOM 968 N ARG A 64 4.277 14.179 4.896 1.00 0.00 N ATOM 969 CA ARG A 64 5.131 13.079 5.377 1.00 0.00 C ATOM 970 C ARG A 64 4.659 11.751 4.775 1.00 0.00 C ATOM 971 O ARG A 64 3.495 11.614 4.386 1.00 0.00 O ATOM 972 CB ARG A 64 5.192 13.025 6.921 1.00 0.00 C ATOM 973 CG ARG A 64 3.829 12.810 7.602 1.00 0.00 C ATOM 974 CD ARG A 64 3.913 12.894 9.131 1.00 0.00 C ATOM 975 NE ARG A 64 4.115 14.283 9.588 1.00 0.00 N ATOM 976 CZ ARG A 64 4.027 14.725 10.838 1.00 0.00 C ATOM 977 NH1 ARG A 64 3.767 13.921 11.848 1.00 0.00 N ATOM 978 NH2 ARG A 64 4.201 16.003 11.093 1.00 0.00 N ATOM 0 H ARG A 64 3.470 13.828 4.380 1.00 0.00 H new ATOM 0 HA ARG A 64 6.151 13.265 5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.864 12.220 7.218 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.626 13.955 7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.124 13.558 7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.434 11.835 7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.998 12.496 9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.734 12.270 9.486 1.00 0.00 H new ATOM 0 HE ARG A 64 4.345 14.973 8.873 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.626 12.924 11.683 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.707 14.295 12.795 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.403 16.652 10.332 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.134 16.346 12.051 1.00 0.00 H new ATOM 992 N TYR A 65 5.556 10.775 4.704 1.00 0.00 N ATOM 993 CA TYR A 65 5.332 9.479 4.053 1.00 0.00 C ATOM 994 C TYR A 65 6.196 8.391 4.699 1.00 0.00 C ATOM 995 O TYR A 65 7.258 8.674 5.254 1.00 0.00 O ATOM 996 CB TYR A 65 5.578 9.587 2.540 1.00 0.00 C ATOM 997 CG TYR A 65 6.980 10.010 2.138 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.000 9.048 1.989 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.261 11.367 1.891 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.295 9.435 1.596 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.556 11.761 1.507 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.579 10.801 1.361 1.00 0.00 C ATOM 1003 OH TYR A 65 10.829 11.201 0.999 1.00 0.00 O ATOM 0 H TYR A 65 6.489 10.861 5.108 1.00 0.00 H new ATOM 0 HA TYR A 65 4.291 9.190 4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.363 8.621 2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.868 10.301 2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.786 8.006 2.178 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.481 12.107 1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.069 8.692 1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.768 12.804 1.323 1.00 0.00 H new ATOM 0 HH TYR A 65 10.839 12.174 0.879 1.00 0.00 H new ATOM 1013 N GLY A 66 5.723 7.149 4.662 1.00 0.00 N ATOM 1014 CA GLY A 66 6.296 6.049 5.423 1.00 0.00 C ATOM 1015 C GLY A 66 5.829 4.677 4.974 1.00 0.00 C ATOM 1016 O GLY A 66 5.006 4.523 4.069 1.00 0.00 O ATOM 0 H GLY A 66 4.920 6.877 4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.382 6.095 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.045 6.180 6.476 1.00 0.00 H new ATOM 1020 N TYR A 67 6.371 3.665 5.640 1.00 0.00 N ATOM 1021 CA TYR A 67 6.138 2.268 5.295 1.00 0.00 C ATOM 1022 C TYR A 67 6.405 1.320 6.467 1.00 0.00 C ATOM 1023 O TYR A 67 7.162 1.616 7.396 1.00 0.00 O ATOM 1024 CB TYR A 67 6.960 1.885 4.051 1.00 0.00 C ATOM 1025 CG TYR A 67 8.406 1.507 4.323 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.330 2.479 4.749 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.821 0.170 4.170 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.660 2.122 5.035 1.00 0.00 C ATOM 1029 CE2 TYR A 67 10.147 -0.198 4.464 1.00 0.00 C ATOM 1030 CZ TYR A 67 11.072 0.778 4.898 1.00 0.00 C ATOM 1031 OH TYR A 67 12.358 0.423 5.177 1.00 0.00 O ATOM 0 H TYR A 67 6.990 3.792 6.441 1.00 0.00 H new ATOM 0 HA TYR A 67 5.080 2.158 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.469 1.048 3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.945 2.722 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.016 3.507 4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.119 -0.575 3.826 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.365 2.874 5.359 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.458 -1.227 4.358 1.00 0.00 H new ATOM 0 HH TYR A 67 12.471 -0.540 5.031 1.00 0.00 H new ATOM 1041 N ASP A 68 5.769 0.163 6.394 1.00 0.00 N ATOM 1042 CA ASP A 68 5.976 -0.988 7.269 1.00 0.00 C ATOM 1043 C ASP A 68 6.160 -2.280 6.443 1.00 0.00 C ATOM 1044 O ASP A 68 6.234 -2.240 5.213 1.00 0.00 O ATOM 1045 CB ASP A 68 4.816 -1.067 8.276 1.00 0.00 C ATOM 1046 CG ASP A 68 5.307 -1.532 9.651 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.624 -2.737 9.788 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.401 -0.679 10.565 1.00 0.00 O ATOM 0 H ASP A 68 5.056 -0.012 5.686 1.00 0.00 H new ATOM 0 HA ASP A 68 6.898 -0.869 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.343 -0.089 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.056 -1.755 7.906 1.00 0.00 H new ATOM 1053 N SER A 69 6.254 -3.436 7.104 1.00 0.00 N ATOM 1054 CA SER A 69 6.640 -4.714 6.476 1.00 0.00 C ATOM 1055 C SER A 69 5.683 -5.184 5.355 1.00 0.00 C ATOM 1056 O SER A 69 6.109 -5.845 4.405 1.00 0.00 O ATOM 1057 CB SER A 69 6.771 -5.779 7.577 1.00 0.00 C ATOM 1058 OG SER A 69 7.436 -6.946 7.112 1.00 0.00 O ATOM 0 H SER A 69 6.063 -3.518 8.103 1.00 0.00 H new ATOM 0 HA SER A 69 7.595 -4.557 5.975 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.319 -5.362 8.422 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.779 -6.048 7.942 1.00 0.00 H new ATOM 0 HG SER A 69 7.501 -7.598 7.841 1.00 0.00 H new ATOM 1064 N ASN A 70 4.402 -4.788 5.422 1.00 0.00 N ATOM 1065 CA ASN A 70 3.341 -5.125 4.455 1.00 0.00 C ATOM 1066 C ASN A 70 2.335 -3.964 4.249 1.00 0.00 C ATOM 1067 O ASN A 70 1.189 -4.188 3.847 1.00 0.00 O ATOM 1068 CB ASN A 70 2.637 -6.417 4.918 1.00 0.00 C ATOM 1069 CG ASN A 70 3.523 -7.653 4.834 1.00 0.00 C ATOM 1070 OD1 ASN A 70 3.900 -8.102 3.757 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.838 -8.268 5.959 1.00 0.00 N ATOM 0 H ASN A 70 4.061 -4.200 6.182 1.00 0.00 H new ATOM 0 HA ASN A 70 3.798 -5.291 3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.301 -6.290 5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.747 -6.575 4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.397 -9.121 5.935 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.522 -7.891 6.852 1.00 0.00 H new ATOM 1078 N LEU A 71 2.733 -2.720 4.553 1.00 0.00 N ATOM 1079 CA LEU A 71 1.847 -1.550 4.615 1.00 0.00 C ATOM 1080 C LEU A 71 2.587 -0.291 4.144 1.00 0.00 C ATOM 1081 O LEU A 71 3.729 -0.063 4.529 1.00 0.00 O ATOM 1082 CB LEU A 71 1.348 -1.404 6.072 1.00 0.00 C ATOM 1083 CG LEU A 71 0.140 -0.463 6.259 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.167 -1.131 5.803 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -0.002 -0.074 7.737 1.00 0.00 C ATOM 0 H LEU A 71 3.704 -2.495 4.768 1.00 0.00 H new ATOM 0 HA LEU A 71 0.993 -1.683 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.081 -2.391 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.171 -1.040 6.687 1.00 0.00 H new ATOM 0 HG LEU A 71 0.319 0.422 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.998 -0.441 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.093 -1.393 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.338 -2.034 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.858 0.590 7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.152 -0.972 8.337 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.903 0.436 8.068 1.00 0.00 H new ATOM 1097 N PHE A 72 1.937 0.539 3.332 1.00 0.00 N ATOM 1098 CA PHE A 72 2.464 1.802 2.813 1.00 0.00 C ATOM 1099 C PHE A 72 1.504 2.937 3.183 1.00 0.00 C ATOM 1100 O PHE A 72 0.299 2.821 2.956 1.00 0.00 O ATOM 1101 CB PHE A 72 2.628 1.669 1.290 1.00 0.00 C ATOM 1102 CG PHE A 72 2.986 2.965 0.588 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.263 3.534 0.755 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.029 3.612 -0.218 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.579 4.750 0.124 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.348 4.824 -0.854 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.620 5.395 -0.678 1.00 0.00 C ATOM 0 H PHE A 72 0.991 0.344 3.004 1.00 0.00 H new ATOM 0 HA PHE A 72 3.436 2.032 3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.402 0.930 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.699 1.285 0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.000 3.036 1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.049 3.176 -0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.557 5.189 0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.616 5.316 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.862 6.331 -1.159 1.00 0.00 H new ATOM 1117 N SER A 73 2.011 4.032 3.755 1.00 0.00 N ATOM 1118 CA SER A 73 1.154 5.144 4.213 1.00 0.00 C ATOM 1119 C SER A 73 1.760 6.548 4.037 1.00 0.00 C ATOM 1120 O SER A 73 2.978 6.733 4.053 1.00 0.00 O ATOM 1121 CB SER A 73 0.745 4.891 5.675 1.00 0.00 C ATOM 1122 OG SER A 73 -0.203 5.829 6.160 1.00 0.00 O ATOM 0 H SER A 73 3.008 4.178 3.915 1.00 0.00 H new ATOM 0 HA SER A 73 0.279 5.151 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.330 3.887 5.761 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.634 4.923 6.305 1.00 0.00 H new ATOM 0 HG SER A 73 -0.869 6.010 5.465 1.00 0.00 H new ATOM 1128 N PHE A 74 0.895 7.559 3.871 1.00 0.00 N ATOM 1129 CA PHE A 74 1.281 8.971 3.696 1.00 0.00 C ATOM 1130 C PHE A 74 0.182 9.969 4.112 1.00 0.00 C ATOM 1131 O PHE A 74 -1.005 9.647 4.101 1.00 0.00 O ATOM 1132 CB PHE A 74 1.749 9.217 2.250 1.00 0.00 C ATOM 1133 CG PHE A 74 0.695 8.949 1.192 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.206 9.964 0.812 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.606 7.675 0.599 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.200 9.699 -0.145 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.388 7.412 -0.358 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.298 8.420 -0.719 1.00 0.00 C ATOM 0 H PHE A 74 -0.115 7.417 3.854 1.00 0.00 H new ATOM 0 HA PHE A 74 2.111 9.157 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.081 10.251 2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.615 8.586 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.132 10.946 1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.303 6.899 0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.888 10.478 -0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.453 6.436 -0.816 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.075 8.211 -1.440 1.00 0.00 H new ATOM 1148 N GLU A 75 0.605 11.189 4.463 1.00 0.00 N ATOM 1149 CA GLU A 75 -0.233 12.338 4.845 1.00 0.00 C ATOM 1150 C GLU A 75 -0.274 13.351 3.687 1.00 0.00 C ATOM 1151 O GLU A 75 0.762 13.867 3.255 1.00 0.00 O ATOM 1152 CB GLU A 75 0.371 12.978 6.113 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.261 14.292 6.610 1.00 0.00 C ATOM 1154 CD GLU A 75 -1.532 14.139 7.449 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -2.634 14.038 6.866 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -1.433 14.208 8.697 1.00 0.00 O ATOM 0 H GLU A 75 1.599 11.417 4.490 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.254 12.018 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.311 12.248 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.429 13.162 5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.480 14.830 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.491 14.914 5.745 1.00 0.00 H new ATOM 1163 N SER A 76 -1.469 13.661 3.187 1.00 0.00 N ATOM 1164 CA SER A 76 -1.695 14.600 2.078 1.00 0.00 C ATOM 1165 C SER A 76 -2.025 16.037 2.537 1.00 0.00 C ATOM 1166 O SER A 76 -2.601 16.265 3.606 1.00 0.00 O ATOM 1167 CB SER A 76 -2.822 14.073 1.178 1.00 0.00 C ATOM 1168 OG SER A 76 -4.040 13.969 1.898 1.00 0.00 O ATOM 0 H SER A 76 -2.333 13.258 3.549 1.00 0.00 H new ATOM 0 HA SER A 76 -0.756 14.660 1.528 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.954 14.740 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.547 13.097 0.778 1.00 0.00 H new ATOM 0 HG SER A 76 -4.687 14.612 1.541 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.671 17.028 1.708 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.994 18.445 1.918 1.00 0.00 C ATOM 1176 C GLY A 77 -3.429 18.798 1.516 1.00 0.00 C ATOM 1177 O GLY A 77 -4.046 18.131 0.684 1.00 0.00 O ATOM 0 H GLY A 77 -1.140 16.863 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.845 18.694 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.300 19.059 1.344 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.948 19.895 2.078 1.00 0.00 N ATOM 1182 CA ARG A 78 -5.363 20.306 1.988 1.00 0.00 C ATOM 1183 C ARG A 78 -5.865 20.745 0.595 1.00 0.00 C ATOM 1184 O ARG A 78 -7.045 21.077 0.463 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.649 21.358 3.082 1.00 0.00 C ATOM 1186 CG ARG A 78 -4.988 22.739 2.872 1.00 0.00 C ATOM 1187 CD ARG A 78 -5.892 23.783 2.197 1.00 0.00 C ATOM 1188 NE ARG A 78 -7.045 24.134 3.051 1.00 0.00 N ATOM 1189 CZ ARG A 78 -8.295 24.371 2.664 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -8.669 24.306 1.402 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -9.203 24.683 3.564 1.00 0.00 N ATOM 0 H ARG A 78 -3.383 20.544 2.625 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.951 19.405 2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.728 21.499 3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.317 20.959 4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.668 23.125 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.090 22.610 2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.313 24.680 1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.249 23.394 1.243 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.861 24.202 4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.989 24.067 0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.638 24.495 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.946 24.741 4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.164 24.866 3.276 1.00 0.00 H new ATOM 1205 N ARG A 79 -4.998 20.755 -0.429 1.00 0.00 N ATOM 1206 CA ARG A 79 -5.282 21.239 -1.797 1.00 0.00 C ATOM 1207 C ARG A 79 -5.189 20.169 -2.906 1.00 0.00 C ATOM 1208 O ARG A 79 -5.357 20.497 -4.082 1.00 0.00 O ATOM 1209 CB ARG A 79 -4.399 22.468 -2.099 1.00 0.00 C ATOM 1210 CG ARG A 79 -2.890 22.156 -2.136 1.00 0.00 C ATOM 1211 CD ARG A 79 -2.056 23.358 -2.606 1.00 0.00 C ATOM 1212 NE ARG A 79 -2.199 24.531 -1.719 1.00 0.00 N ATOM 1213 CZ ARG A 79 -1.565 24.752 -0.572 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -0.698 23.895 -0.073 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -1.804 25.858 0.099 1.00 0.00 N ATOM 0 H ARG A 79 -4.042 20.414 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.334 21.525 -1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.697 22.891 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.584 23.231 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.559 21.854 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.712 21.311 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.006 23.070 -2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.358 23.632 -3.617 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.857 25.250 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.494 23.028 -0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.230 24.099 0.810 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.472 26.539 -0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.321 26.034 0.980 1.00 0.00 H new ATOM 1229 N CYS A 80 -4.937 18.900 -2.562 1.00 0.00 N ATOM 1230 CA CYS A 80 -4.976 17.771 -3.511 1.00 0.00 C ATOM 1231 C CYS A 80 -6.425 17.292 -3.776 1.00 0.00 C ATOM 1232 O CYS A 80 -7.377 17.852 -3.226 1.00 0.00 O ATOM 1233 CB CYS A 80 -4.038 16.663 -3.000 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.763 15.855 -1.550 1.00 0.00 S ATOM 0 H CYS A 80 -4.698 18.621 -1.610 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.612 18.091 -4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.866 15.929 -3.787 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.067 17.087 -2.743 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.590 16.606 -0.503 1.00 0.00 H new ATOM 1240 N GLN A 81 -6.607 16.251 -4.600 1.00 0.00 N ATOM 1241 CA GLN A 81 -7.935 15.750 -4.999 1.00 0.00 C ATOM 1242 C GLN A 81 -8.779 15.271 -3.799 1.00 0.00 C ATOM 1243 O GLN A 81 -9.996 15.478 -3.776 1.00 0.00 O ATOM 1244 CB GLN A 81 -7.766 14.607 -6.023 1.00 0.00 C ATOM 1245 CG GLN A 81 -9.076 14.304 -6.780 1.00 0.00 C ATOM 1246 CD GLN A 81 -9.074 12.943 -7.478 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -9.800 12.027 -7.113 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -8.271 12.757 -8.505 1.00 0.00 N ATOM 0 H GLN A 81 -5.834 15.728 -5.012 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.477 16.582 -5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.989 14.875 -6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.429 13.707 -5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.909 14.343 -6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.247 15.084 -7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.661 13.512 -8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.259 11.858 -8.987 1.00 0.00 H new ATOM 1257 N THR A 82 -8.135 14.663 -2.791 1.00 0.00 N ATOM 1258 CA THR A 82 -8.784 14.076 -1.606 1.00 0.00 C ATOM 1259 C THR A 82 -8.867 15.029 -0.414 1.00 0.00 C ATOM 1260 O THR A 82 -9.542 14.708 0.566 1.00 0.00 O ATOM 1261 CB THR A 82 -8.049 12.795 -1.187 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.670 13.069 -1.029 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.204 11.687 -2.224 1.00 0.00 C ATOM 0 H THR A 82 -7.120 14.563 -2.776 1.00 0.00 H new ATOM 0 HA THR A 82 -9.810 13.854 -1.901 1.00 0.00 H new ATOM 0 HB THR A 82 -8.489 12.458 -0.248 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.310 12.524 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.669 10.798 -1.889 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.261 11.450 -2.348 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.793 12.020 -3.177 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.187 16.180 -0.474 1.00 0.00 N ATOM 1272 CA GLY A 83 -7.987 17.071 0.669 1.00 0.00 C ATOM 1273 C GLY A 83 -6.972 16.489 1.657 1.00 0.00 C ATOM 1274 O GLY A 83 -6.205 15.583 1.330 1.00 0.00 O ATOM 0 H GLY A 83 -7.755 16.521 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.640 18.043 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.938 17.235 1.176 1.00 0.00 H new ATOM 1278 N GLN A 84 -6.962 17.024 2.875 1.00 0.00 N ATOM 1279 CA GLN A 84 -6.051 16.595 3.939 1.00 0.00 C ATOM 1280 C GLN A 84 -6.513 15.264 4.561 1.00 0.00 C ATOM 1281 O GLN A 84 -7.649 15.154 5.032 1.00 0.00 O ATOM 1282 CB GLN A 84 -5.963 17.709 4.998 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.921 17.424 6.091 1.00 0.00 C ATOM 1284 CD GLN A 84 -4.897 18.535 7.142 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -4.383 19.626 6.924 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -5.462 18.314 8.313 1.00 0.00 N ATOM 0 H GLN A 84 -7.592 17.775 3.157 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.060 16.421 3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.716 18.650 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.941 17.838 5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.146 16.472 6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.934 17.327 5.639 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.894 17.411 8.509 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.467 19.046 9.023 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.622 14.267 4.595 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.856 12.973 5.242 1.00 0.00 C ATOM 1297 C GLY A 85 -4.641 12.044 5.229 1.00 0.00 C ATOM 1298 O GLY A 85 -3.750 12.166 4.388 1.00 0.00 O ATOM 0 H GLY A 85 -4.700 14.339 4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.159 13.144 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.688 12.474 4.744 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.640 11.064 6.138 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.665 9.961 6.143 1.00 0.00 C ATOM 1304 C ILE A 86 -4.313 8.738 5.500 1.00 0.00 C ATOM 1305 O ILE A 86 -5.342 8.260 5.980 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.130 9.662 7.564 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.416 10.910 8.119 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.172 8.454 7.523 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -1.927 10.817 9.566 1.00 0.00 C ATOM 0 H ILE A 86 -5.319 11.010 6.897 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.790 10.251 5.561 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.962 9.414 8.223 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.560 11.128 7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.096 11.758 8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.800 8.250 8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.705 7.580 7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.333 8.677 6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.441 11.752 9.847 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.776 10.636 10.226 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.215 9.997 9.657 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.702 8.228 4.432 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.153 7.043 3.704 1.00 0.00 C ATOM 1323 C PHE A 87 -3.160 5.902 3.913 1.00 0.00 C ATOM 1324 O PHE A 87 -1.949 6.133 3.983 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.308 7.384 2.214 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.250 8.541 1.959 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.629 8.387 2.196 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.746 9.790 1.548 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.497 9.481 2.043 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.617 10.880 1.390 1.00 0.00 C ATOM 1331 CZ PHE A 87 -6.988 10.732 1.655 1.00 0.00 C ATOM 0 H PHE A 87 -2.856 8.639 4.038 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.123 6.721 4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.329 7.624 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.672 6.504 1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.020 7.426 2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.690 9.909 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.555 9.361 2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.231 11.835 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.651 11.579 1.561 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.660 4.668 4.002 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.837 3.479 4.194 1.00 0.00 C ATOM 1343 C ALA A 88 -3.324 2.314 3.328 1.00 0.00 C ATOM 1344 O ALA A 88 -4.525 2.021 3.243 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.806 3.116 5.680 1.00 0.00 C ATOM 0 H ALA A 88 -4.658 4.467 3.942 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.819 3.695 3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.191 2.228 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.385 3.945 6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.820 2.916 6.027 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.355 1.663 2.689 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.570 0.600 1.715 1.00 0.00 C ATOM 1353 C PHE A 89 -1.755 -0.642 2.076 1.00 0.00 C ATOM 1354 O PHE A 89 -0.562 -0.555 2.363 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.221 1.091 0.304 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.916 2.371 -0.112 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.370 3.622 0.239 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.120 2.313 -0.837 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.039 4.806 -0.109 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.782 3.501 -1.193 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.245 4.747 -0.825 1.00 0.00 C ATOM 0 H PHE A 89 -1.368 1.869 2.841 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.625 0.325 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.143 1.243 0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.473 0.308 -0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.435 3.670 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.535 1.357 -1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.626 5.763 0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.706 3.456 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.760 5.658 -1.093 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.402 -1.806 2.056 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.800 -3.094 2.385 1.00 0.00 C ATOM 1373 C LYS A 90 -1.212 -3.729 1.117 1.00 0.00 C ATOM 1374 O LYS A 90 -1.919 -3.900 0.118 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.875 -3.956 3.068 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.268 -5.143 3.830 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.366 -5.913 4.579 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.780 -6.925 5.576 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.138 -8.089 4.906 1.00 0.00 N ATOM 0 H LYS A 90 -3.387 -1.880 1.803 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.967 -2.989 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.449 -3.338 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.572 -4.327 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.758 -5.809 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.519 -4.786 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.005 -5.208 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.997 -6.436 3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.045 -6.424 6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.573 -7.282 6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.760 -8.739 5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.842 -8.587 4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.362 -7.756 4.299 1.00 0.00 H new ATOM 1393 N CYS A 91 0.082 -4.047 1.152 1.00 0.00 N ATOM 1394 CA CYS A 91 0.873 -4.501 0.002 1.00 0.00 C ATOM 1395 C CYS A 91 2.254 -5.023 0.444 1.00 0.00 C ATOM 1396 O CYS A 91 2.995 -4.331 1.142 1.00 0.00 O ATOM 1397 CB CYS A 91 0.992 -3.361 -1.035 1.00 0.00 C ATOM 1398 SG CYS A 91 1.654 -1.840 -0.288 1.00 0.00 S ATOM 0 H CYS A 91 0.630 -3.995 2.011 1.00 0.00 H new ATOM 0 HA CYS A 91 0.360 -5.338 -0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.641 -3.678 -1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 91 0.012 -3.158 -1.467 1.00 0.00 H new ATOM 0 HG CYS A 91 0.842 -1.422 0.637 1.00 0.00 H new ATOM 1404 N SER A 92 2.637 -6.219 0.005 1.00 0.00 N ATOM 1405 CA SER A 92 3.914 -6.861 0.374 1.00 0.00 C ATOM 1406 C SER A 92 5.158 -6.163 -0.218 1.00 0.00 C ATOM 1407 O SER A 92 6.283 -6.440 0.203 1.00 0.00 O ATOM 1408 CB SER A 92 3.901 -8.334 -0.066 1.00 0.00 C ATOM 1409 OG SER A 92 2.689 -8.982 0.306 1.00 0.00 O ATOM 0 H SER A 92 2.068 -6.784 -0.626 1.00 0.00 H new ATOM 0 HA SER A 92 3.994 -6.777 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.028 -8.392 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.746 -8.856 0.383 1.00 0.00 H new ATOM 0 HG SER A 92 2.713 -9.916 0.010 1.00 0.00 H new ATOM 1415 N ARG A 93 4.959 -5.244 -1.177 1.00 0.00 N ATOM 1416 CA ARG A 93 6.000 -4.475 -1.878 1.00 0.00 C ATOM 1417 C ARG A 93 6.155 -3.037 -1.347 1.00 0.00 C ATOM 1418 O ARG A 93 6.814 -2.219 -1.987 1.00 0.00 O ATOM 1419 CB ARG A 93 5.724 -4.504 -3.397 1.00 0.00 C ATOM 1420 CG ARG A 93 5.747 -5.934 -3.977 1.00 0.00 C ATOM 1421 CD ARG A 93 5.575 -5.961 -5.502 1.00 0.00 C ATOM 1422 NE ARG A 93 6.731 -5.370 -6.198 1.00 0.00 N ATOM 1423 CZ ARG A 93 6.753 -4.867 -7.426 1.00 0.00 C ATOM 1424 NH1 ARG A 93 5.703 -4.870 -8.221 1.00 0.00 N ATOM 1425 NH2 ARG A 93 7.852 -4.322 -7.889 1.00 0.00 N ATOM 0 H ARG A 93 4.021 -5.006 -1.500 1.00 0.00 H new ATOM 0 HA ARG A 93 6.959 -4.954 -1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.752 -4.051 -3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.469 -3.896 -3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.690 -6.413 -3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.952 -6.521 -3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.440 -6.991 -5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.671 -5.417 -5.775 1.00 0.00 H new ATOM 0 HE ARG A 93 7.609 -5.345 -5.680 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.822 -5.272 -7.901 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.771 -4.471 -9.157 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.688 -4.285 -7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.871 -3.935 -8.832 1.00 0.00 H new ATOM 1439 N ALA A 94 5.581 -2.703 -0.184 1.00 0.00 N ATOM 1440 CA ALA A 94 5.572 -1.352 0.397 1.00 0.00 C ATOM 1441 C ALA A 94 6.956 -0.672 0.488 1.00 0.00 C ATOM 1442 O ALA A 94 7.053 0.535 0.268 1.00 0.00 O ATOM 1443 CB ALA A 94 4.927 -1.449 1.784 1.00 0.00 C ATOM 0 H ALA A 94 5.095 -3.386 0.397 1.00 0.00 H new ATOM 0 HA ALA A 94 5.003 -0.711 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.904 -0.461 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.909 -1.827 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.508 -2.127 2.409 1.00 0.00 H new ATOM 1449 N GLU A 95 8.021 -1.441 0.742 1.00 0.00 N ATOM 1450 CA GLU A 95 9.407 -0.954 0.756 1.00 0.00 C ATOM 1451 C GLU A 95 9.866 -0.439 -0.624 1.00 0.00 C ATOM 1452 O GLU A 95 10.565 0.571 -0.702 1.00 0.00 O ATOM 1453 CB GLU A 95 10.319 -2.090 1.253 1.00 0.00 C ATOM 1454 CG GLU A 95 11.780 -1.666 1.444 1.00 0.00 C ATOM 1455 CD GLU A 95 12.631 -2.837 1.958 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.604 -3.127 3.179 1.00 0.00 O ATOM 1457 OE2 GLU A 95 13.338 -3.475 1.145 1.00 0.00 O ATOM 0 H GLU A 95 7.943 -2.437 0.947 1.00 0.00 H new ATOM 0 HA GLU A 95 9.469 -0.100 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.932 -2.467 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.279 -2.915 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.184 -1.306 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.832 -0.837 2.149 1.00 0.00 H new ATOM 1464 N GLU A 96 9.444 -1.087 -1.716 1.00 0.00 N ATOM 1465 CA GLU A 96 9.755 -0.649 -3.079 1.00 0.00 C ATOM 1466 C GLU A 96 9.001 0.637 -3.436 1.00 0.00 C ATOM 1467 O GLU A 96 9.573 1.517 -4.081 1.00 0.00 O ATOM 1468 CB GLU A 96 9.403 -1.736 -4.106 1.00 0.00 C ATOM 1469 CG GLU A 96 10.226 -3.021 -3.972 1.00 0.00 C ATOM 1470 CD GLU A 96 9.775 -4.049 -5.019 1.00 0.00 C ATOM 1471 OE1 GLU A 96 10.076 -3.876 -6.223 1.00 0.00 O ATOM 1472 OE2 GLU A 96 9.076 -5.022 -4.657 1.00 0.00 O ATOM 0 H GLU A 96 8.875 -1.933 -1.678 1.00 0.00 H new ATOM 0 HA GLU A 96 10.827 -0.456 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.346 -1.984 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.544 -1.331 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.285 -2.799 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.108 -3.435 -2.971 1.00 0.00 H new ATOM 1479 N ILE A 97 7.748 0.788 -2.976 1.00 0.00 N ATOM 1480 CA ILE A 97 6.967 2.027 -3.158 1.00 0.00 C ATOM 1481 C ILE A 97 7.663 3.188 -2.439 1.00 0.00 C ATOM 1482 O ILE A 97 7.899 4.232 -3.046 1.00 0.00 O ATOM 1483 CB ILE A 97 5.497 1.897 -2.680 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.823 0.601 -3.184 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.715 3.134 -3.164 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.362 0.418 -2.749 1.00 0.00 C ATOM 0 H ILE A 97 7.247 0.058 -2.469 1.00 0.00 H new ATOM 0 HA ILE A 97 6.925 2.224 -4.229 1.00 0.00 H new ATOM 0 HB ILE A 97 5.492 1.842 -1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.867 0.586 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.401 -0.253 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.678 3.060 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.164 4.035 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.749 3.183 -4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.977 -0.519 -3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.307 0.395 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.764 1.248 -3.126 1.00 0.00 H new ATOM 1498 N PHE A 98 8.039 2.994 -1.169 1.00 0.00 N ATOM 1499 CA PHE A 98 8.731 3.993 -0.363 1.00 0.00 C ATOM 1500 C PHE A 98 10.088 4.396 -0.960 1.00 0.00 C ATOM 1501 O PHE A 98 10.376 5.590 -1.065 1.00 0.00 O ATOM 1502 CB PHE A 98 8.877 3.426 1.050 1.00 0.00 C ATOM 1503 CG PHE A 98 9.636 4.322 2.004 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.962 5.328 2.722 1.00 0.00 C ATOM 1505 CD2 PHE A 98 11.020 4.137 2.184 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.671 6.134 3.631 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.728 4.949 3.086 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.052 5.941 3.816 1.00 0.00 C ATOM 0 H PHE A 98 7.865 2.122 -0.669 1.00 0.00 H new ATOM 0 HA PHE A 98 8.147 4.913 -0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.884 3.238 1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.385 2.463 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.903 5.481 2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.538 3.370 1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.154 6.902 4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.791 4.811 3.218 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.593 6.556 4.520 1.00 0.00 H new ATOM 1518 N ASN A 99 10.902 3.427 -1.395 1.00 0.00 N ATOM 1519 CA ASN A 99 12.194 3.697 -2.029 1.00 0.00 C ATOM 1520 C ASN A 99 12.026 4.471 -3.348 1.00 0.00 C ATOM 1521 O ASN A 99 12.686 5.494 -3.543 1.00 0.00 O ATOM 1522 CB ASN A 99 12.959 2.383 -2.258 1.00 0.00 C ATOM 1523 CG ASN A 99 13.527 1.759 -0.982 1.00 0.00 C ATOM 1524 OD1 ASN A 99 13.666 2.392 0.060 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.916 0.497 -1.040 1.00 0.00 N ATOM 0 H ASN A 99 10.682 2.434 -1.317 1.00 0.00 H new ATOM 0 HA ASN A 99 12.775 4.327 -1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.291 1.665 -2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.777 2.568 -2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.330 0.053 -0.220 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.802 -0.033 -1.904 1.00 0.00 H new ATOM 1532 N LEU A 100 11.105 4.046 -4.222 1.00 0.00 N ATOM 1533 CA LEU A 100 10.824 4.720 -5.492 1.00 0.00 C ATOM 1534 C LEU A 100 10.281 6.138 -5.267 1.00 0.00 C ATOM 1535 O LEU A 100 10.678 7.055 -5.981 1.00 0.00 O ATOM 1536 CB LEU A 100 9.850 3.846 -6.305 1.00 0.00 C ATOM 1537 CG LEU A 100 9.446 4.443 -7.667 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.647 4.617 -8.611 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.406 3.539 -8.336 1.00 0.00 C ATOM 0 H LEU A 100 10.530 3.218 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 100 11.748 4.841 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.308 2.871 -6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.950 3.679 -5.713 1.00 0.00 H new ATOM 0 HG LEU A 100 9.029 5.432 -7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.308 5.041 -9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.375 5.286 -8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.110 3.647 -8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.121 3.963 -9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.830 2.546 -8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.525 3.464 -7.698 1.00 0.00 H new ATOM 1551 N LEU A 101 9.437 6.340 -4.251 1.00 0.00 N ATOM 1552 CA LEU A 101 8.924 7.654 -3.864 1.00 0.00 C ATOM 1553 C LEU A 101 10.058 8.625 -3.518 1.00 0.00 C ATOM 1554 O LEU A 101 10.147 9.687 -4.130 1.00 0.00 O ATOM 1555 CB LEU A 101 7.926 7.478 -2.700 1.00 0.00 C ATOM 1556 CG LEU A 101 7.234 8.770 -2.228 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.412 9.408 -3.353 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.305 8.459 -1.050 1.00 0.00 C ATOM 0 H LEU A 101 9.086 5.582 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 101 8.400 8.101 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.160 6.765 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.453 7.037 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 101 8.011 9.471 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.937 10.318 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.068 9.653 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.646 8.708 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.817 9.376 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.549 7.739 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.887 8.041 -0.229 1.00 0.00 H new ATOM 1570 N GLN A 102 10.951 8.263 -2.588 1.00 0.00 N ATOM 1571 CA GLN A 102 12.054 9.148 -2.204 1.00 0.00 C ATOM 1572 C GLN A 102 13.084 9.343 -3.328 1.00 0.00 C ATOM 1573 O GLN A 102 13.711 10.397 -3.403 1.00 0.00 O ATOM 1574 CB GLN A 102 12.716 8.685 -0.897 1.00 0.00 C ATOM 1575 CG GLN A 102 13.410 7.317 -0.942 1.00 0.00 C ATOM 1576 CD GLN A 102 14.206 7.003 0.328 1.00 0.00 C ATOM 1577 OE1 GLN A 102 13.829 7.344 1.442 1.00 0.00 O ATOM 1578 NE2 GLN A 102 15.345 6.350 0.212 1.00 0.00 N ATOM 0 H GLN A 102 10.931 7.372 -2.093 1.00 0.00 H new ATOM 0 HA GLN A 102 11.615 10.129 -2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.451 9.433 -0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.955 8.659 -0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.660 6.541 -1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.081 7.285 -1.801 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.674 6.058 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.897 6.136 1.043 1.00 0.00 H new ATOM 1587 N ASP A 103 13.235 8.365 -4.225 1.00 0.00 N ATOM 1588 CA ASP A 103 14.103 8.453 -5.402 1.00 0.00 C ATOM 1589 C ASP A 103 13.548 9.433 -6.452 1.00 0.00 C ATOM 1590 O ASP A 103 14.273 10.315 -6.914 1.00 0.00 O ATOM 1591 CB ASP A 103 14.308 7.054 -6.019 1.00 0.00 C ATOM 1592 CG ASP A 103 15.271 6.130 -5.246 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.134 6.622 -4.479 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.202 4.896 -5.466 1.00 0.00 O ATOM 0 H ASP A 103 12.747 7.472 -4.152 1.00 0.00 H new ATOM 0 HA ASP A 103 15.067 8.842 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.338 6.561 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.683 7.174 -7.035 1.00 0.00 H new ATOM 1599 N LEU A 104 12.256 9.351 -6.793 1.00 0.00 N ATOM 1600 CA LEU A 104 11.607 10.282 -7.727 1.00 0.00 C ATOM 1601 C LEU A 104 11.533 11.708 -7.163 1.00 0.00 C ATOM 1602 O LEU A 104 11.578 12.672 -7.929 1.00 0.00 O ATOM 1603 CB LEU A 104 10.206 9.756 -8.089 1.00 0.00 C ATOM 1604 CG LEU A 104 10.207 8.458 -8.921 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.785 7.897 -8.964 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.705 8.669 -10.360 1.00 0.00 C ATOM 0 H LEU A 104 11.628 8.635 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 104 12.215 10.336 -8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.648 9.583 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.674 10.528 -8.644 1.00 0.00 H new ATOM 0 HG LEU A 104 10.895 7.763 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.774 6.978 -9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.447 7.684 -7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.119 8.628 -9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.683 7.720 -10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.060 9.387 -10.867 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.726 9.050 -10.339 1.00 0.00 H new ATOM 1618 N MET A 105 11.499 11.855 -5.835 1.00 0.00 N ATOM 1619 CA MET A 105 11.529 13.149 -5.141 1.00 0.00 C ATOM 1620 C MET A 105 12.938 13.760 -5.027 1.00 0.00 C ATOM 1621 O MET A 105 13.050 14.917 -4.615 1.00 0.00 O ATOM 1622 CB MET A 105 10.840 13.007 -3.770 1.00 0.00 C ATOM 1623 CG MET A 105 9.332 12.773 -3.945 1.00 0.00 C ATOM 1624 SD MET A 105 8.408 12.334 -2.446 1.00 0.00 S ATOM 1625 CE MET A 105 8.420 13.903 -1.551 1.00 0.00 C ATOM 0 H MET A 105 11.449 11.061 -5.197 1.00 0.00 H new ATOM 0 HA MET A 105 10.975 13.863 -5.750 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.281 12.176 -3.220 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.008 13.906 -3.178 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.892 13.677 -4.366 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.192 11.979 -4.678 1.00 0.00 H new ATOM 0 HE1 MET A 105 8.946 13.778 -0.605 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.926 14.660 -2.150 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.395 14.219 -1.357 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.090 5.920 2.800 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.303 6.094 4.242 1.00 0.00 C ATOM 2021 C PHE A 136 -9.232 6.986 4.888 1.00 0.00 C ATOM 2022 O PHE A 136 -8.040 6.677 4.828 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.380 4.720 4.918 1.00 0.00 C ATOM 2024 CG PHE A 136 -10.907 4.767 6.341 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -10.047 5.065 7.416 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.273 4.528 6.589 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.552 5.123 8.728 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.775 4.583 7.901 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.914 4.881 8.972 1.00 0.00 C ATOM 0 HA PHE A 136 -11.250 6.613 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.021 4.069 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.387 4.271 4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -8.999 5.249 7.233 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.937 4.302 5.768 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.891 5.354 9.550 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.822 4.396 8.086 1.00 0.00 H new ATOM 0 HZ PHE A 136 -12.299 4.924 9.980 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.674 8.068 5.543 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.817 8.998 6.286 1.00 0.00 C ATOM 2041 C ARG A 137 -8.565 8.480 7.710 1.00 0.00 C ATOM 2042 O ARG A 137 -9.470 8.484 8.550 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.458 10.400 6.331 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.487 11.128 4.973 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.901 11.384 4.429 1.00 0.00 C ATOM 2046 NE ARG A 137 -11.550 10.149 3.947 1.00 0.00 N ATOM 2047 CZ ARG A 137 -12.780 9.718 4.201 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -13.598 10.337 5.025 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -13.198 8.624 3.606 1.00 0.00 N ATOM 0 H ARG A 137 -10.661 8.326 5.571 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.859 9.069 5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.479 10.308 6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.912 11.014 7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.970 12.082 5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.930 10.538 4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -11.513 11.831 5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.849 12.106 3.614 1.00 0.00 H new ATOM 0 HE ARG A 137 -10.983 9.553 3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -13.296 11.187 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -14.534 9.967 5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -12.582 8.125 2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.139 8.274 3.785 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.331 8.063 8.001 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.870 7.731 9.354 1.00 0.00 C ATOM 2065 C LEU A 138 -6.604 9.011 10.164 1.00 0.00 C ATOM 2066 O LEU A 138 -6.121 10.009 9.623 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.591 6.871 9.278 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.729 5.508 8.574 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.348 4.843 8.501 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.679 4.570 9.324 1.00 0.00 C ATOM 0 H LEU A 138 -6.609 7.944 7.290 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.651 7.162 9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.821 7.446 8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.234 6.698 10.293 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.137 5.686 7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.435 3.877 8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.666 5.481 7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.960 4.699 9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.747 3.620 8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.299 4.396 10.331 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.668 5.025 9.383 1.00 0.00 H new ATOM 2082 N ARG A 139 -6.893 8.966 11.470 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.567 10.038 12.426 1.00 0.00 C ATOM 2084 C ARG A 139 -5.096 10.000 12.873 1.00 0.00 C ATOM 2085 O ARG A 139 -4.503 11.035 13.179 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.479 9.929 13.660 1.00 0.00 C ATOM 2087 CG ARG A 139 -8.925 10.392 13.417 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.823 9.386 12.682 1.00 0.00 C ATOM 2089 NE ARG A 139 -11.217 9.864 12.637 1.00 0.00 N ATOM 2090 CZ ARG A 139 -12.285 9.159 12.278 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -12.202 7.902 11.892 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -13.473 9.723 12.308 1.00 0.00 N ATOM 0 H ARG A 139 -7.367 8.173 11.902 1.00 0.00 H new ATOM 0 HA ARG A 139 -6.731 10.987 11.915 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.493 8.893 13.997 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.050 10.522 14.468 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.381 10.625 14.379 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -8.901 11.319 12.843 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.453 9.234 11.668 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.781 8.420 13.184 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.378 10.834 12.909 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.295 7.437 11.861 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -13.045 7.394 11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.569 10.694 12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -14.298 9.189 12.034 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.512 8.803 12.898 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.116 8.511 13.250 1.00 0.00 C ATOM 2108 C HIS A 140 -2.288 8.027 12.038 1.00 0.00 C ATOM 2109 O HIS A 140 -2.839 7.729 10.976 1.00 0.00 O ATOM 2110 CB HIS A 140 -3.119 7.463 14.377 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.604 6.104 13.937 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.824 5.135 13.300 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.880 5.635 14.062 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -3.651 4.103 13.065 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -4.891 4.374 13.511 1.00 0.00 N ATOM 0 H HIS A 140 -5.029 7.957 12.659 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.635 9.429 13.587 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -2.109 7.368 14.776 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.751 7.819 15.191 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.717 6.153 14.506 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.360 3.181 12.584 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.698 3.753 13.451 1.00 0.00 H new ATOM 2123 N PHE A 141 -0.964 7.914 12.209 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.053 7.348 11.210 1.00 0.00 C ATOM 2125 C PHE A 141 0.331 5.900 11.593 1.00 0.00 C ATOM 2126 O PHE A 141 0.899 5.707 12.675 1.00 0.00 O ATOM 2127 CB PHE A 141 1.168 8.268 11.075 1.00 0.00 C ATOM 2128 CG PHE A 141 1.934 8.023 9.794 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.456 8.570 8.590 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.100 7.237 9.792 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.135 8.332 7.388 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.784 7.008 8.586 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.300 7.552 7.385 1.00 0.00 C ATOM 0 H PHE A 141 -0.490 8.219 13.059 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.541 7.291 10.237 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.842 9.308 11.107 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.831 8.115 11.927 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.562 9.176 8.592 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.468 6.811 10.714 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.761 8.749 6.464 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.685 6.412 8.583 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.825 7.369 6.459 1.00 0.00 H new ATOM 2143 N PRO A 142 0.029 4.882 10.756 1.00 0.00 N ATOM 2144 CA PRO A 142 0.151 3.473 11.139 1.00 0.00 C ATOM 2145 C PRO A 142 1.551 2.872 10.918 1.00 0.00 C ATOM 2146 O PRO A 142 1.907 1.916 11.605 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.891 2.750 10.283 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.882 3.560 8.989 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.675 4.991 9.487 1.00 0.00 C ATOM 0 HA PRO A 142 -0.010 3.363 12.211 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.621 1.708 10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.874 2.751 10.755 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -0.081 3.245 8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.817 3.454 8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -0.096 5.573 8.770 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.630 5.501 9.614 1.00 0.00 H new ATOM 2157 N CYS A 143 2.345 3.401 9.979 1.00 0.00 N ATOM 2158 CA CYS A 143 3.654 2.858 9.614 1.00 0.00 C ATOM 2159 C CYS A 143 4.761 3.287 10.598 1.00 0.00 C ATOM 2160 O CYS A 143 4.837 4.453 10.996 1.00 0.00 O ATOM 2161 CB CYS A 143 3.977 3.288 8.175 1.00 0.00 C ATOM 2162 SG CYS A 143 2.897 2.425 6.994 1.00 0.00 S ATOM 0 H CYS A 143 2.090 4.231 9.445 1.00 0.00 H new ATOM 0 HA CYS A 143 3.615 1.770 9.672 1.00 0.00 H new ATOM 0 HB2 CYS A 143 3.848 4.366 8.074 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.021 3.069 7.949 1.00 0.00 H new ATOM 0 HG CYS A 143 3.035 2.953 5.814 1.00 0.00 H new ATOM 2168 N GLY A 144 5.644 2.350 10.972 1.00 0.00 N ATOM 2169 CA GLY A 144 6.718 2.577 11.954 1.00 0.00 C ATOM 2170 C GLY A 144 7.918 3.366 11.423 1.00 0.00 C ATOM 2171 O GLY A 144 8.653 3.947 12.222 1.00 0.00 O ATOM 0 H GLY A 144 5.634 1.401 10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.302 3.108 12.810 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.068 1.611 12.318 1.00 0.00 H new ATOM 2175 N ASN A 145 8.109 3.419 10.099 1.00 0.00 N ATOM 2176 CA ASN A 145 9.098 4.279 9.441 1.00 0.00 C ATOM 2177 C ASN A 145 8.420 5.547 8.894 1.00 0.00 C ATOM 2178 O ASN A 145 7.340 5.459 8.315 1.00 0.00 O ATOM 2179 CB ASN A 145 9.795 3.523 8.298 1.00 0.00 C ATOM 2180 CG ASN A 145 10.449 2.223 8.760 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.505 2.222 9.383 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.852 1.083 8.466 1.00 0.00 N ATOM 0 H ASN A 145 7.569 2.854 9.443 1.00 0.00 H new ATOM 0 HA ASN A 145 9.848 4.567 10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.066 3.301 7.518 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.553 4.167 7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 145 10.269 0.199 8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.974 1.086 7.948 1.00 0.00 H new ATOM 2189 N VAL A 146 9.063 6.711 9.027 1.00 0.00 N ATOM 2190 CA VAL A 146 8.593 8.023 8.552 1.00 0.00 C ATOM 2191 C VAL A 146 9.769 8.796 7.944 1.00 0.00 C ATOM 2192 O VAL A 146 10.883 8.790 8.471 1.00 0.00 O ATOM 2193 CB VAL A 146 7.928 8.844 9.690 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.692 10.322 9.323 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.551 8.276 10.046 1.00 0.00 C ATOM 0 H VAL A 146 9.970 6.771 9.491 1.00 0.00 H new ATOM 0 HA VAL A 146 7.831 7.859 7.790 1.00 0.00 H new ATOM 0 HB VAL A 146 8.630 8.777 10.521 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.225 10.835 10.163 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.646 10.796 9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.038 10.381 8.453 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.108 8.870 10.846 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.905 8.310 9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.658 7.243 10.378 1.00 0.00 H new ATOM 2205 N ASN A 147 9.488 9.487 6.838 1.00 0.00 N ATOM 2206 CA ASN A 147 10.402 10.355 6.103 1.00 0.00 C ATOM 2207 C ASN A 147 9.654 11.602 5.580 1.00 0.00 C ATOM 2208 O ASN A 147 8.423 11.626 5.494 1.00 0.00 O ATOM 2209 CB ASN A 147 11.066 9.522 4.989 1.00 0.00 C ATOM 2210 CG ASN A 147 12.276 10.177 4.323 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.815 11.175 4.787 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.768 9.618 3.231 1.00 0.00 N ATOM 0 H ASN A 147 8.563 9.452 6.409 1.00 0.00 H new ATOM 0 HA ASN A 147 11.191 10.736 6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.376 8.565 5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.321 9.309 4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.591 10.017 2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.325 8.787 2.839 1.00 0.00 H new ATOM 2219 N TYR A 148 10.400 12.659 5.257 1.00 0.00 N ATOM 2220 CA TYR A 148 9.892 13.998 4.939 1.00 0.00 C ATOM 2221 C TYR A 148 10.446 14.496 3.593 1.00 0.00 C ATOM 2222 O TYR A 148 11.644 14.378 3.315 1.00 0.00 O ATOM 2223 CB TYR A 148 10.257 14.961 6.082 1.00 0.00 C ATOM 2224 CG TYR A 148 9.748 14.540 7.450 1.00 0.00 C ATOM 2225 CD1 TYR A 148 8.423 14.827 7.832 1.00 0.00 C ATOM 2226 CD2 TYR A 148 10.600 13.850 8.337 1.00 0.00 C ATOM 2227 CE1 TYR A 148 7.949 14.432 9.098 1.00 0.00 C ATOM 2228 CE2 TYR A 148 10.133 13.454 9.605 1.00 0.00 C ATOM 2229 CZ TYR A 148 8.804 13.744 9.990 1.00 0.00 C ATOM 2230 OH TYR A 148 8.355 13.363 11.220 1.00 0.00 O ATOM 0 H TYR A 148 11.417 12.605 5.207 1.00 0.00 H new ATOM 0 HA TYR A 148 8.807 13.956 4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.342 15.057 6.126 1.00 0.00 H new ATOM 0 HB3 TYR A 148 9.859 15.948 5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 148 7.768 15.352 7.152 1.00 0.00 H new ATOM 0 HD2 TYR A 148 11.614 13.624 8.043 1.00 0.00 H new ATOM 0 HE1 TYR A 148 6.933 14.654 9.388 1.00 0.00 H new ATOM 0 HE2 TYR A 148 10.790 12.929 10.283 1.00 0.00 H new ATOM 0 HH TYR A 148 9.073 12.901 11.702 1.00 0.00 H new