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 143 CYS SG : rot 95:sc= 0.0239 USER MOD Set 1.2: A 145 ASN : amide:sc= 0.873 K(o=0.9,f=-2.6!) USER MOD Set 2.1: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 99 ASN : amide:sc= 0.487 K(o=0.9,f=-0.37) USER MOD Set 2.3: A 102 GLN : amide:sc= 0.0451 K(o=0.9,f=-1.4) USER MOD Set 2.4: A 147 ASN : amide:sc= 0.37 K(o=0.9,f=-2!) USER MOD Set 3.1: A 80 CYS SG : rot -79:sc= 0.53 USER MOD Set 3.2: A 82 THR OG1 : rot 110:sc= 0.538 USER MOD Single : A 19 THR OG1 : rot -36:sc= 0.0956 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0124) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -164:sc= 0 (180deg=-0.0129) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.22 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.914 K(o=0.91,f=-2.8!) USER MOD Single : A 59 TYR OH : rot 157:sc= 0.4 USER MOD Single : A 61 CYS SG : rot -52:sc= 0.48 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= -0.133 K(o=-0.13,f=-1.8) USER MOD Single : A 73 SER OG : rot 32:sc= 0.00338 USER MOD Single : A 76 SER OG : rot 103:sc= 0.871 USER MOD Single : A 81 GLN : amide:sc= 0.593 K(o=0.59,f=-4.5!) USER MOD Single : A 84 GLN : amide:sc= 0.492 K(o=0.49,f=-4.9!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 87:sc= 0.741 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -179:sc= 0 (180deg=-0.00106) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 6.976 -0.138 -12.164 1.00 0.00 N ATOM 234 CA THR A 19 6.443 1.198 -11.787 1.00 0.00 C ATOM 235 C THR A 19 4.953 1.219 -11.436 1.00 0.00 C ATOM 236 O THR A 19 4.498 2.150 -10.773 1.00 0.00 O ATOM 237 CB THR A 19 6.738 2.258 -12.859 1.00 0.00 C ATOM 238 OG1 THR A 19 6.238 1.842 -14.110 1.00 0.00 O ATOM 239 CG2 THR A 19 8.233 2.544 -13.009 1.00 0.00 C ATOM 0 HA THR A 19 6.979 1.445 -10.871 1.00 0.00 H new ATOM 0 HB THR A 19 6.244 3.172 -12.530 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.345 0.872 -14.199 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.383 3.300 -13.780 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.631 2.907 -12.062 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.752 1.628 -13.293 1.00 0.00 H new ATOM 247 N LYS A 20 4.207 0.182 -11.816 1.00 0.00 N ATOM 248 CA LYS A 20 2.831 -0.089 -11.386 1.00 0.00 C ATOM 249 C LYS A 20 2.845 -1.131 -10.252 1.00 0.00 C ATOM 250 O LYS A 20 3.579 -2.122 -10.323 1.00 0.00 O ATOM 251 CB LYS A 20 2.043 -0.588 -12.609 1.00 0.00 C ATOM 252 CG LYS A 20 0.550 -0.783 -12.336 1.00 0.00 C ATOM 253 CD LYS A 20 -0.181 -1.430 -13.523 1.00 0.00 C ATOM 254 CE LYS A 20 -0.367 -0.457 -14.697 1.00 0.00 C ATOM 255 NZ LYS A 20 -1.175 -1.062 -15.791 1.00 0.00 N ATOM 0 H LYS A 20 4.559 -0.525 -12.461 1.00 0.00 H new ATOM 0 HA LYS A 20 2.352 0.810 -10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.165 0.124 -13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.469 -1.533 -12.945 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.423 -1.406 -11.451 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.095 0.182 -12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.381 -2.300 -13.862 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.156 -1.789 -13.194 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.855 0.451 -14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.609 -0.164 -15.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.279 -0.376 -16.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.696 -1.914 -16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.115 -1.319 -15.427 1.00 0.00 H new ATOM 269 N PHE A 21 2.018 -0.932 -9.222 1.00 0.00 N ATOM 270 CA PHE A 21 1.972 -1.771 -8.023 1.00 0.00 C ATOM 271 C PHE A 21 0.525 -2.060 -7.611 1.00 0.00 C ATOM 272 O PHE A 21 -0.284 -1.146 -7.459 1.00 0.00 O ATOM 273 CB PHE A 21 2.729 -1.065 -6.887 1.00 0.00 C ATOM 274 CG PHE A 21 4.213 -0.856 -7.136 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.136 -1.841 -6.737 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.676 0.328 -7.743 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.514 -1.640 -6.935 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.055 0.524 -7.949 1.00 0.00 C ATOM 279 CZ PHE A 21 6.974 -0.459 -7.542 1.00 0.00 C ATOM 0 H PHE A 21 1.346 -0.165 -9.199 1.00 0.00 H new ATOM 0 HA PHE A 21 2.449 -2.727 -8.237 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.266 -0.094 -6.710 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.608 -1.647 -5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.785 -2.753 -6.278 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.972 1.087 -8.051 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.220 -2.394 -6.620 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.407 1.430 -8.420 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.032 -0.307 -7.696 1.00 0.00 H new ATOM 289 N LYS A 22 0.198 -3.337 -7.394 1.00 0.00 N ATOM 290 CA LYS A 22 -1.077 -3.735 -6.789 1.00 0.00 C ATOM 291 C LYS A 22 -1.104 -3.320 -5.308 1.00 0.00 C ATOM 292 O LYS A 22 -0.156 -3.595 -4.570 1.00 0.00 O ATOM 293 CB LYS A 22 -1.274 -5.258 -6.928 1.00 0.00 C ATOM 294 CG LYS A 22 -1.330 -5.788 -8.369 1.00 0.00 C ATOM 295 CD LYS A 22 -2.494 -5.210 -9.190 1.00 0.00 C ATOM 296 CE LYS A 22 -2.617 -5.857 -10.579 1.00 0.00 C ATOM 297 NZ LYS A 22 -3.090 -7.269 -10.514 1.00 0.00 N ATOM 0 H LYS A 22 0.806 -4.121 -7.631 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.893 -3.232 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.461 -5.761 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.198 -5.535 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.391 -5.554 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.417 -6.874 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.426 -5.353 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.354 -4.135 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.308 -5.274 -11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.648 -5.825 -11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.237 -7.631 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.377 -7.852 -10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.986 -7.311 -9.988 1.00 0.00 H new ATOM 311 N VAL A 23 -2.187 -2.675 -4.873 1.00 0.00 N ATOM 312 CA VAL A 23 -2.371 -2.179 -3.494 1.00 0.00 C ATOM 313 C VAL A 23 -3.801 -2.449 -3.011 1.00 0.00 C ATOM 314 O VAL A 23 -4.688 -2.654 -3.837 1.00 0.00 O ATOM 315 CB VAL A 23 -2.024 -0.674 -3.359 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.554 -0.373 -3.696 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.933 0.248 -4.191 1.00 0.00 C ATOM 0 H VAL A 23 -2.983 -2.474 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.674 -2.727 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.200 -0.455 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.367 0.695 -3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.095 -0.928 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.348 -0.673 -4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.630 1.285 -4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.846 -0.011 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.968 0.124 -3.871 1.00 0.00 H new ATOM 327 N THR A 24 -4.043 -2.437 -1.694 1.00 0.00 N ATOM 328 CA THR A 24 -5.386 -2.617 -1.107 1.00 0.00 C ATOM 329 C THR A 24 -5.561 -1.660 0.061 1.00 0.00 C ATOM 330 O THR A 24 -4.844 -1.765 1.049 1.00 0.00 O ATOM 331 CB THR A 24 -5.598 -4.078 -0.680 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.461 -4.912 -1.811 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.005 -4.331 -0.137 1.00 0.00 C ATOM 0 H THR A 24 -3.310 -2.302 -0.997 1.00 0.00 H new ATOM 0 HA THR A 24 -6.144 -2.387 -1.856 1.00 0.00 H new ATOM 0 HB THR A 24 -4.863 -4.287 0.097 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.593 -5.846 -1.546 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.101 -5.378 0.150 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.178 -3.699 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.740 -4.097 -0.907 1.00 0.00 H new ATOM 341 N ASN A 25 -6.494 -0.713 -0.054 1.00 0.00 N ATOM 342 CA ASN A 25 -6.746 0.316 0.964 1.00 0.00 C ATOM 343 C ASN A 25 -7.189 -0.301 2.306 1.00 0.00 C ATOM 344 O ASN A 25 -7.948 -1.274 2.302 1.00 0.00 O ATOM 345 CB ASN A 25 -7.792 1.299 0.406 1.00 0.00 C ATOM 346 CG ASN A 25 -8.151 2.431 1.370 1.00 0.00 C ATOM 347 OD1 ASN A 25 -9.305 2.619 1.730 1.00 0.00 O ATOM 348 ND2 ASN A 25 -7.189 3.218 1.818 1.00 0.00 N ATOM 0 H ASN A 25 -7.106 -0.636 -0.867 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.822 0.853 1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.414 1.730 -0.521 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.698 0.747 0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.410 3.978 2.461 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.225 3.065 1.521 1.00 0.00 H new ATOM 355 N VAL A 26 -6.741 0.266 3.436 1.00 0.00 N ATOM 356 CA VAL A 26 -7.091 -0.207 4.788 1.00 0.00 C ATOM 357 C VAL A 26 -7.476 0.927 5.742 1.00 0.00 C ATOM 358 O VAL A 26 -6.992 2.053 5.626 1.00 0.00 O ATOM 359 CB VAL A 26 -5.992 -1.081 5.438 1.00 0.00 C ATOM 360 CG1 VAL A 26 -5.758 -2.384 4.666 1.00 0.00 C ATOM 361 CG2 VAL A 26 -4.641 -0.367 5.615 1.00 0.00 C ATOM 0 H VAL A 26 -6.119 1.074 3.439 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.969 -0.833 4.629 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.386 -1.300 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.978 -2.964 5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.681 -2.963 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.448 -2.153 3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.927 -1.049 6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.265 -0.053 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.772 0.507 6.252 1.00 0.00 H new ATOM 371 N ASP A 27 -8.359 0.597 6.689 1.00 0.00 N ATOM 372 CA ASP A 27 -8.829 1.472 7.766 1.00 0.00 C ATOM 373 C ASP A 27 -7.875 1.508 8.983 1.00 0.00 C ATOM 374 O ASP A 27 -6.765 0.970 8.958 1.00 0.00 O ATOM 375 CB ASP A 27 -10.264 1.069 8.164 1.00 0.00 C ATOM 376 CG ASP A 27 -10.407 -0.290 8.877 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.403 -1.021 9.054 1.00 0.00 O ATOM 378 OD2 ASP A 27 -11.551 -0.619 9.263 1.00 0.00 O ATOM 0 H ASP A 27 -8.785 -0.329 6.727 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.838 2.494 7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.671 1.843 8.814 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.879 1.052 7.264 1.00 0.00 H new ATOM 383 N ASP A 28 -8.319 2.140 10.075 1.00 0.00 N ATOM 384 CA ASP A 28 -7.557 2.307 11.321 1.00 0.00 C ATOM 385 C ASP A 28 -7.351 1.004 12.121 1.00 0.00 C ATOM 386 O ASP A 28 -6.532 0.960 13.040 1.00 0.00 O ATOM 387 CB ASP A 28 -8.250 3.368 12.184 1.00 0.00 C ATOM 388 CG ASP A 28 -9.601 2.902 12.751 1.00 0.00 C ATOM 389 OD1 ASP A 28 -10.574 2.797 11.970 1.00 0.00 O ATOM 390 OD2 ASP A 28 -9.684 2.673 13.981 1.00 0.00 O ATOM 0 H ASP A 28 -9.246 2.563 10.119 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.553 2.626 11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.592 3.642 13.009 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.405 4.267 11.588 1.00 0.00 H new ATOM 395 N GLU A 29 -8.068 -0.056 11.744 1.00 0.00 N ATOM 396 CA GLU A 29 -7.928 -1.425 12.257 1.00 0.00 C ATOM 397 C GLU A 29 -7.163 -2.349 11.280 1.00 0.00 C ATOM 398 O GLU A 29 -6.953 -3.527 11.575 1.00 0.00 O ATOM 399 CB GLU A 29 -9.319 -1.996 12.584 1.00 0.00 C ATOM 400 CG GLU A 29 -10.004 -1.259 13.743 1.00 0.00 C ATOM 401 CD GLU A 29 -11.290 -1.982 14.177 1.00 0.00 C ATOM 402 OE1 GLU A 29 -11.209 -2.924 15.004 1.00 0.00 O ATOM 403 OE2 GLU A 29 -12.393 -1.608 13.713 1.00 0.00 O ATOM 0 H GLU A 29 -8.800 0.018 11.037 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.330 -1.382 13.167 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.950 -1.936 11.697 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.224 -3.052 12.836 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.320 -1.189 14.588 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.241 -0.239 13.440 1.00 0.00 H new ATOM 410 N GLY A 30 -6.726 -1.834 10.119 1.00 0.00 N ATOM 411 CA GLY A 30 -5.957 -2.572 9.109 1.00 0.00 C ATOM 412 C GLY A 30 -6.797 -3.508 8.233 1.00 0.00 C ATOM 413 O GLY A 30 -6.233 -4.395 7.595 1.00 0.00 O ATOM 0 H GLY A 30 -6.904 -0.866 9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.443 -1.857 8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.188 -3.158 9.612 1.00 0.00 H new ATOM 417 N VAL A 31 -8.121 -3.337 8.198 1.00 0.00 N ATOM 418 CA VAL A 31 -9.062 -4.207 7.468 1.00 0.00 C ATOM 419 C VAL A 31 -9.111 -3.791 5.998 1.00 0.00 C ATOM 420 O VAL A 31 -9.277 -2.611 5.710 1.00 0.00 O ATOM 421 CB VAL A 31 -10.490 -4.142 8.066 1.00 0.00 C ATOM 422 CG1 VAL A 31 -11.429 -5.158 7.389 1.00 0.00 C ATOM 423 CG2 VAL A 31 -10.479 -4.426 9.577 1.00 0.00 C ATOM 0 H VAL A 31 -8.585 -2.572 8.687 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.704 -5.232 7.560 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.854 -3.130 7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.422 -5.086 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.491 -4.942 6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.039 -6.166 7.533 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.496 -4.372 9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.074 -5.422 9.757 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.859 -3.685 10.082 1.00 0.00 H new ATOM 433 N GLU A 32 -8.979 -4.756 5.083 1.00 0.00 N ATOM 434 CA GLU A 32 -9.008 -4.550 3.627 1.00 0.00 C ATOM 435 C GLU A 32 -10.385 -4.056 3.142 1.00 0.00 C ATOM 436 O GLU A 32 -11.397 -4.739 3.323 1.00 0.00 O ATOM 437 CB GLU A 32 -8.645 -5.869 2.920 1.00 0.00 C ATOM 438 CG GLU A 32 -7.182 -6.284 3.136 1.00 0.00 C ATOM 439 CD GLU A 32 -6.943 -7.722 2.647 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.122 -8.670 3.447 1.00 0.00 O ATOM 441 OE2 GLU A 32 -6.570 -7.913 1.466 1.00 0.00 O ATOM 0 H GLU A 32 -8.845 -5.734 5.341 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.279 -3.778 3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.299 -6.662 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.833 -5.766 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.523 -5.600 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.931 -6.209 4.194 1.00 0.00 H new ATOM 448 N LEU A 33 -10.422 -2.879 2.501 1.00 0.00 N ATOM 449 CA LEU A 33 -11.647 -2.281 1.947 1.00 0.00 C ATOM 450 C LEU A 33 -11.879 -2.730 0.501 1.00 0.00 C ATOM 451 O LEU A 33 -12.930 -3.286 0.175 1.00 0.00 O ATOM 452 CB LEU A 33 -11.615 -0.745 2.028 1.00 0.00 C ATOM 453 CG LEU A 33 -11.752 -0.238 3.475 1.00 0.00 C ATOM 454 CD1 LEU A 33 -10.402 0.014 4.101 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.570 1.047 3.529 1.00 0.00 C ATOM 0 H LEU A 33 -9.591 -2.307 2.350 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.478 -2.635 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.680 -0.380 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.422 -0.334 1.422 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.265 -1.019 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.535 0.371 5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.828 -0.912 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.867 0.766 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.651 1.383 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.078 1.817 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.567 0.861 3.129 1.00 0.00 H new ATOM 467 N GLY A 34 -10.885 -2.483 -0.357 1.00 0.00 N ATOM 468 CA GLY A 34 -10.893 -2.837 -1.779 1.00 0.00 C ATOM 469 C GLY A 34 -9.536 -2.636 -2.447 1.00 0.00 C ATOM 470 O GLY A 34 -8.723 -1.823 -2.003 1.00 0.00 O ATOM 0 H GLY A 34 -10.024 -2.016 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.195 -3.879 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.640 -2.233 -2.295 1.00 0.00 H new ATOM 474 N SER A 35 -9.284 -3.389 -3.514 1.00 0.00 N ATOM 475 CA SER A 35 -8.021 -3.360 -4.261 1.00 0.00 C ATOM 476 C SER A 35 -7.962 -2.215 -5.294 1.00 0.00 C ATOM 477 O SER A 35 -8.965 -1.842 -5.911 1.00 0.00 O ATOM 478 CB SER A 35 -7.773 -4.729 -4.911 1.00 0.00 C ATOM 479 OG SER A 35 -8.838 -5.131 -5.769 1.00 0.00 O ATOM 0 H SER A 35 -9.961 -4.050 -3.894 1.00 0.00 H new ATOM 0 HA SER A 35 -7.219 -3.154 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.845 -4.693 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.638 -5.478 -4.131 1.00 0.00 H new ATOM 0 HG SER A 35 -8.632 -6.006 -6.159 1.00 0.00 H new ATOM 485 N GLY A 36 -6.761 -1.659 -5.487 1.00 0.00 N ATOM 486 CA GLY A 36 -6.430 -0.581 -6.421 1.00 0.00 C ATOM 487 C GLY A 36 -5.060 -0.775 -7.069 1.00 0.00 C ATOM 488 O GLY A 36 -4.291 -1.665 -6.687 1.00 0.00 O ATOM 0 H GLY A 36 -5.944 -1.970 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.193 -0.530 -7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.448 0.372 -5.893 1.00 0.00 H new ATOM 492 N VAL A 37 -4.752 0.081 -8.041 1.00 0.00 N ATOM 493 CA VAL A 37 -3.493 0.057 -8.800 1.00 0.00 C ATOM 494 C VAL A 37 -2.771 1.391 -8.608 1.00 0.00 C ATOM 495 O VAL A 37 -3.232 2.430 -9.074 1.00 0.00 O ATOM 496 CB VAL A 37 -3.762 -0.236 -10.293 1.00 0.00 C ATOM 497 CG1 VAL A 37 -2.497 -0.072 -11.145 1.00 0.00 C ATOM 498 CG2 VAL A 37 -4.299 -1.665 -10.485 1.00 0.00 C ATOM 0 H VAL A 37 -5.381 0.829 -8.333 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.854 -0.744 -8.428 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.507 0.489 -10.621 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.730 -0.287 -12.188 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.130 0.951 -11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.730 -0.763 -10.795 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.480 -1.846 -11.544 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.566 -2.382 -10.114 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.231 -1.781 -9.932 1.00 0.00 H new ATOM 508 N MET A 38 -1.625 1.350 -7.929 1.00 0.00 N ATOM 509 CA MET A 38 -0.797 2.517 -7.617 1.00 0.00 C ATOM 510 C MET A 38 0.310 2.693 -8.663 1.00 0.00 C ATOM 511 O MET A 38 0.880 1.719 -9.159 1.00 0.00 O ATOM 512 CB MET A 38 -0.251 2.363 -6.191 1.00 0.00 C ATOM 513 CG MET A 38 0.447 3.631 -5.686 1.00 0.00 C ATOM 514 SD MET A 38 0.894 3.576 -3.931 1.00 0.00 S ATOM 515 CE MET A 38 -0.711 3.929 -3.167 1.00 0.00 C ATOM 0 H MET A 38 -1.235 0.479 -7.570 1.00 0.00 H new ATOM 0 HA MET A 38 -1.394 3.428 -7.656 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.070 2.111 -5.518 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.452 1.530 -6.163 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.349 3.796 -6.275 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.207 4.486 -5.857 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.564 4.211 -2.124 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.195 4.748 -3.699 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.341 3.041 -3.217 1.00 0.00 H new ATOM 525 N GLU A 39 0.599 3.946 -9.002 1.00 0.00 N ATOM 526 CA GLU A 39 1.483 4.347 -10.096 1.00 0.00 C ATOM 527 C GLU A 39 2.219 5.647 -9.735 1.00 0.00 C ATOM 528 O GLU A 39 1.611 6.625 -9.294 1.00 0.00 O ATOM 529 CB GLU A 39 0.623 4.492 -11.362 1.00 0.00 C ATOM 530 CG GLU A 39 1.403 4.904 -12.615 1.00 0.00 C ATOM 531 CD GLU A 39 0.501 4.859 -13.861 1.00 0.00 C ATOM 532 OE1 GLU A 39 -0.610 5.440 -13.834 1.00 0.00 O ATOM 533 OE2 GLU A 39 0.902 4.241 -14.875 1.00 0.00 O ATOM 0 H GLU A 39 0.208 4.744 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 39 2.254 3.597 -10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.122 3.544 -11.556 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.156 5.231 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.802 5.910 -12.486 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.255 4.239 -12.753 1.00 0.00 H new ATOM 540 N LEU A 40 3.543 5.661 -9.895 1.00 0.00 N ATOM 541 CA LEU A 40 4.412 6.797 -9.563 1.00 0.00 C ATOM 542 C LEU A 40 5.081 7.313 -10.848 1.00 0.00 C ATOM 543 O LEU A 40 5.686 6.527 -11.585 1.00 0.00 O ATOM 544 CB LEU A 40 5.457 6.356 -8.514 1.00 0.00 C ATOM 545 CG LEU A 40 4.993 6.383 -7.038 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.926 5.344 -6.663 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.209 6.162 -6.132 1.00 0.00 C ATOM 0 H LEU A 40 4.057 4.863 -10.269 1.00 0.00 H new ATOM 0 HA LEU A 40 3.828 7.611 -9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.778 5.342 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.332 6.999 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 40 4.529 7.359 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.672 5.448 -5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.034 5.503 -7.269 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.314 4.342 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.893 6.179 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.661 5.196 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.939 6.953 -6.303 1.00 0.00 H new ATOM 559 N THR A 41 4.971 8.622 -11.119 1.00 0.00 N ATOM 560 CA THR A 41 5.505 9.285 -12.328 1.00 0.00 C ATOM 561 C THR A 41 6.519 10.363 -11.954 1.00 0.00 C ATOM 562 O THR A 41 6.684 10.682 -10.782 1.00 0.00 O ATOM 563 CB THR A 41 4.369 9.869 -13.188 1.00 0.00 C ATOM 564 OG1 THR A 41 3.865 11.041 -12.580 1.00 0.00 O ATOM 565 CG2 THR A 41 3.222 8.878 -13.421 1.00 0.00 C ATOM 0 H THR A 41 4.497 9.270 -10.490 1.00 0.00 H new ATOM 0 HA THR A 41 6.019 8.531 -12.924 1.00 0.00 H new ATOM 0 HB THR A 41 4.797 10.098 -14.164 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.143 11.411 -13.131 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.453 9.349 -14.033 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.603 7.994 -13.933 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.794 8.585 -12.462 1.00 0.00 H new ATOM 573 N GLN A 42 7.182 10.984 -12.934 1.00 0.00 N ATOM 574 CA GLN A 42 8.063 12.133 -12.664 1.00 0.00 C ATOM 575 C GLN A 42 7.291 13.405 -12.243 1.00 0.00 C ATOM 576 O GLN A 42 7.915 14.418 -11.927 1.00 0.00 O ATOM 577 CB GLN A 42 8.983 12.412 -13.865 1.00 0.00 C ATOM 578 CG GLN A 42 9.958 11.258 -14.152 1.00 0.00 C ATOM 579 CD GLN A 42 11.080 11.685 -15.101 1.00 0.00 C ATOM 580 OE1 GLN A 42 12.236 11.831 -14.718 1.00 0.00 O ATOM 581 NE2 GLN A 42 10.797 11.922 -16.367 1.00 0.00 N ATOM 0 H GLN A 42 7.129 10.716 -13.917 1.00 0.00 H new ATOM 0 HA GLN A 42 8.680 11.856 -11.809 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.373 12.594 -14.750 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.551 13.323 -13.677 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.389 10.905 -13.215 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.412 10.421 -14.588 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.842 11.807 -16.706 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.533 12.221 -17.007 1.00 0.00 H new ATOM 590 N SER A 43 5.954 13.370 -12.204 1.00 0.00 N ATOM 591 CA SER A 43 5.116 14.513 -11.812 1.00 0.00 C ATOM 592 C SER A 43 4.433 14.341 -10.446 1.00 0.00 C ATOM 593 O SER A 43 4.375 15.309 -9.684 1.00 0.00 O ATOM 594 CB SER A 43 4.040 14.773 -12.880 1.00 0.00 C ATOM 595 OG SER A 43 4.614 15.089 -14.144 1.00 0.00 O ATOM 0 H SER A 43 5.416 12.538 -12.446 1.00 0.00 H new ATOM 0 HA SER A 43 5.793 15.363 -11.727 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.406 13.892 -12.979 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.398 15.593 -12.557 1.00 0.00 H new ATOM 0 HG SER A 43 3.901 15.246 -14.797 1.00 0.00 H new ATOM 601 N GLU A 44 3.905 13.150 -10.121 1.00 0.00 N ATOM 602 CA GLU A 44 3.044 12.937 -8.949 1.00 0.00 C ATOM 603 C GLU A 44 2.762 11.453 -8.661 1.00 0.00 C ATOM 604 O GLU A 44 3.015 10.566 -9.483 1.00 0.00 O ATOM 605 CB GLU A 44 1.723 13.730 -9.092 1.00 0.00 C ATOM 606 CG GLU A 44 0.830 13.301 -10.262 1.00 0.00 C ATOM 607 CD GLU A 44 -0.313 14.302 -10.513 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.828 14.916 -9.549 1.00 0.00 O ATOM 609 OE2 GLU A 44 -0.705 14.479 -11.691 1.00 0.00 O ATOM 0 H GLU A 44 4.065 12.304 -10.668 1.00 0.00 H new ATOM 0 HA GLU A 44 3.597 13.314 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.156 13.630 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.963 14.787 -9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.435 13.208 -11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.411 12.316 -10.056 1.00 0.00 H new ATOM 616 N LEU A 45 2.184 11.192 -7.484 1.00 0.00 N ATOM 617 CA LEU A 45 1.639 9.892 -7.104 1.00 0.00 C ATOM 618 C LEU A 45 0.242 9.765 -7.728 1.00 0.00 C ATOM 619 O LEU A 45 -0.579 10.666 -7.563 1.00 0.00 O ATOM 620 CB LEU A 45 1.589 9.808 -5.561 1.00 0.00 C ATOM 621 CG LEU A 45 2.000 8.442 -4.980 1.00 0.00 C ATOM 622 CD1 LEU A 45 1.935 8.488 -3.450 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.128 7.290 -5.487 1.00 0.00 C ATOM 0 H LEU A 45 2.082 11.898 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 45 2.259 9.071 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.243 10.576 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.576 10.039 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 45 3.019 8.251 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.227 7.519 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.614 9.256 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.918 8.722 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.467 6.354 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.090 7.469 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.206 7.225 -6.572 1.00 0.00 H new ATOM 635 N VAL A 46 -0.035 8.667 -8.428 1.00 0.00 N ATOM 636 CA VAL A 46 -1.325 8.357 -9.064 1.00 0.00 C ATOM 637 C VAL A 46 -1.853 7.038 -8.491 1.00 0.00 C ATOM 638 O VAL A 46 -1.088 6.105 -8.246 1.00 0.00 O ATOM 639 CB VAL A 46 -1.172 8.270 -10.605 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.507 7.953 -11.304 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.602 9.573 -11.195 1.00 0.00 C ATOM 0 H VAL A 46 0.659 7.935 -8.577 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.037 9.155 -8.853 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.474 7.453 -10.788 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.350 7.902 -12.381 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.886 6.996 -10.947 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.230 8.737 -11.079 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.510 9.473 -12.276 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.272 10.401 -10.963 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.380 9.769 -10.764 1.00 0.00 H new ATOM 651 N LEU A 47 -3.167 6.944 -8.274 1.00 0.00 N ATOM 652 CA LEU A 47 -3.813 5.755 -7.723 1.00 0.00 C ATOM 653 C LEU A 47 -5.184 5.546 -8.375 1.00 0.00 C ATOM 654 O LEU A 47 -6.114 6.338 -8.212 1.00 0.00 O ATOM 655 CB LEU A 47 -3.874 5.879 -6.186 1.00 0.00 C ATOM 656 CG LEU A 47 -3.761 4.552 -5.407 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.101 4.790 -3.933 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.649 3.428 -5.951 1.00 0.00 C ATOM 0 H LEU A 47 -3.818 7.702 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.233 4.861 -7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.071 6.541 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.814 6.360 -5.915 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.730 4.220 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.021 3.851 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.406 5.517 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.119 5.172 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.510 2.531 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.694 3.736 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.376 3.216 -6.985 1.00 0.00 H new ATOM 670 N HIS A 48 -5.284 4.457 -9.129 1.00 0.00 N ATOM 671 CA HIS A 48 -6.474 3.999 -9.841 1.00 0.00 C ATOM 672 C HIS A 48 -7.300 3.046 -8.953 1.00 0.00 C ATOM 673 O HIS A 48 -6.753 2.095 -8.378 1.00 0.00 O ATOM 674 CB HIS A 48 -6.006 3.302 -11.128 1.00 0.00 C ATOM 675 CG HIS A 48 -5.118 4.143 -12.014 1.00 0.00 C ATOM 676 ND1 HIS A 48 -5.559 5.087 -12.941 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.752 4.088 -12.053 1.00 0.00 C ATOM 678 CE1 HIS A 48 -4.446 5.576 -13.517 1.00 0.00 C ATOM 679 NE2 HIS A 48 -3.346 4.994 -13.008 1.00 0.00 N ATOM 0 H HIS A 48 -4.490 3.832 -9.269 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.121 4.839 -10.091 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.470 2.392 -10.858 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.883 2.997 -11.700 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.115 3.457 -11.452 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.437 6.335 -14.286 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.383 5.189 -13.280 1.00 0.00 H new ATOM 687 N LEU A 49 -8.608 3.296 -8.841 1.00 0.00 N ATOM 688 CA LEU A 49 -9.547 2.606 -7.942 1.00 0.00 C ATOM 689 C LEU A 49 -10.779 2.107 -8.717 1.00 0.00 C ATOM 690 O LEU A 49 -11.049 2.557 -9.830 1.00 0.00 O ATOM 691 CB LEU A 49 -9.962 3.580 -6.814 1.00 0.00 C ATOM 692 CG LEU A 49 -8.819 4.061 -5.893 1.00 0.00 C ATOM 693 CD1 LEU A 49 -9.326 5.174 -4.968 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.250 2.916 -5.042 1.00 0.00 C ATOM 0 H LEU A 49 -9.065 4.017 -9.399 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.061 1.733 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.431 4.453 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.720 3.094 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.021 4.438 -6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.514 5.508 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.681 6.012 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.144 4.794 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.449 3.297 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.040 2.500 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.857 2.137 -5.696 1.00 0.00 H new ATOM 786 N ALA A 54 -9.714 7.938 -10.587 1.00 0.00 N ATOM 787 CA ALA A 54 -8.287 7.959 -10.247 1.00 0.00 C ATOM 788 C ALA A 54 -7.921 9.178 -9.375 1.00 0.00 C ATOM 789 O ALA A 54 -8.229 10.324 -9.726 1.00 0.00 O ATOM 790 CB ALA A 54 -7.467 7.908 -11.543 1.00 0.00 C ATOM 0 HA ALA A 54 -8.050 7.083 -9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.404 7.923 -11.302 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.703 6.993 -12.087 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.711 8.771 -12.162 1.00 0.00 H new ATOM 796 N VAL A 55 -7.236 8.930 -8.256 1.00 0.00 N ATOM 797 CA VAL A 55 -6.872 9.935 -7.242 1.00 0.00 C ATOM 798 C VAL A 55 -5.369 10.194 -7.312 1.00 0.00 C ATOM 799 O VAL A 55 -4.579 9.251 -7.326 1.00 0.00 O ATOM 800 CB VAL A 55 -7.255 9.491 -5.810 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.016 10.636 -4.812 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.729 9.066 -5.703 1.00 0.00 C ATOM 0 H VAL A 55 -6.906 7.994 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.430 10.846 -7.460 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.624 8.634 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.290 10.308 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.963 10.917 -4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.625 11.496 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.947 8.764 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.370 9.903 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.916 8.229 -6.376 1.00 0.00 H new ATOM 812 N ARG A 56 -4.983 11.472 -7.375 1.00 0.00 N ATOM 813 CA ARG A 56 -3.606 11.917 -7.570 1.00 0.00 C ATOM 814 C ARG A 56 -3.164 12.898 -6.478 1.00 0.00 C ATOM 815 O ARG A 56 -3.937 13.755 -6.039 1.00 0.00 O ATOM 816 CB ARG A 56 -3.437 12.548 -8.964 1.00 0.00 C ATOM 817 CG ARG A 56 -3.813 11.615 -10.130 1.00 0.00 C ATOM 818 CD ARG A 56 -5.274 11.687 -10.599 1.00 0.00 C ATOM 819 NE ARG A 56 -5.584 12.967 -11.259 1.00 0.00 N ATOM 820 CZ ARG A 56 -6.790 13.371 -11.642 1.00 0.00 C ATOM 821 NH1 ARG A 56 -7.870 12.639 -11.457 1.00 0.00 N ATOM 822 NH2 ARG A 56 -6.928 14.538 -12.236 1.00 0.00 N ATOM 0 H ARG A 56 -5.642 12.246 -7.289 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.964 11.039 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.051 13.447 -9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.400 12.862 -9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.167 11.845 -10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.596 10.589 -9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.473 10.867 -11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.936 11.552 -9.743 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.804 13.599 -11.438 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.797 11.727 -11.005 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.779 12.984 -11.765 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.111 15.127 -12.400 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.852 14.853 -12.532 1.00 0.00 H new ATOM 836 N TRP A 57 -1.898 12.785 -6.071 1.00 0.00 N ATOM 837 CA TRP A 57 -1.264 13.595 -5.027 1.00 0.00 C ATOM 838 C TRP A 57 0.127 14.073 -5.490 1.00 0.00 C ATOM 839 O TRP A 57 1.027 13.236 -5.634 1.00 0.00 O ATOM 840 CB TRP A 57 -1.152 12.765 -3.739 1.00 0.00 C ATOM 841 CG TRP A 57 -2.441 12.329 -3.115 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.263 13.093 -2.364 1.00 0.00 C ATOM 843 CD2 TRP A 57 -3.062 11.010 -3.165 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.330 12.333 -1.915 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.233 11.027 -2.348 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.735 9.796 -3.804 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -5.009 9.877 -2.133 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.522 8.649 -3.613 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.644 8.680 -2.771 1.00 0.00 C ATOM 0 H TRP A 57 -1.260 12.099 -6.476 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.875 14.476 -4.831 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.559 11.876 -3.956 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.596 13.348 -3.004 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.111 14.140 -2.146 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.090 12.693 -1.338 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.869 9.748 -4.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.874 9.912 -1.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.261 7.732 -4.120 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.226 7.784 -2.614 1.00 0.00 H new ATOM 860 N PRO A 58 0.336 15.387 -5.720 1.00 0.00 N ATOM 861 CA PRO A 58 1.640 15.921 -6.095 1.00 0.00 C ATOM 862 C PRO A 58 2.634 15.771 -4.948 1.00 0.00 C ATOM 863 O PRO A 58 2.296 15.989 -3.786 1.00 0.00 O ATOM 864 CB PRO A 58 1.411 17.387 -6.462 1.00 0.00 C ATOM 865 CG PRO A 58 0.135 17.766 -5.715 1.00 0.00 C ATOM 866 CD PRO A 58 -0.653 16.458 -5.673 1.00 0.00 C ATOM 0 HA PRO A 58 2.070 15.379 -6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.251 18.010 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.295 17.515 -7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.351 18.137 -4.713 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.416 18.551 -6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.254 16.394 -4.766 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.341 16.390 -6.516 1.00 0.00 H new ATOM 874 N TYR A 59 3.880 15.430 -5.276 1.00 0.00 N ATOM 875 CA TYR A 59 4.926 15.162 -4.280 1.00 0.00 C ATOM 876 C TYR A 59 5.267 16.384 -3.409 1.00 0.00 C ATOM 877 O TYR A 59 5.725 16.231 -2.277 1.00 0.00 O ATOM 878 CB TYR A 59 6.183 14.651 -4.997 1.00 0.00 C ATOM 879 CG TYR A 59 6.034 13.381 -5.820 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.173 12.344 -5.408 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.799 13.223 -6.992 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.083 11.156 -6.152 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.705 12.038 -7.747 1.00 0.00 C ATOM 884 CZ TYR A 59 5.848 10.998 -7.325 1.00 0.00 C ATOM 885 OH TYR A 59 5.739 9.846 -8.038 1.00 0.00 O ATOM 0 H TYR A 59 4.197 15.331 -6.241 1.00 0.00 H new ATOM 0 HA TYR A 59 4.539 14.405 -3.598 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.544 15.442 -5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.956 14.482 -4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.578 12.464 -4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.461 14.014 -7.313 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.427 10.363 -5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.288 11.925 -8.649 1.00 0.00 H new ATOM 0 HH TYR A 59 6.009 10.009 -8.966 1.00 0.00 H new ATOM 895 N LEU A 60 4.963 17.591 -3.902 1.00 0.00 N ATOM 896 CA LEU A 60 5.102 18.848 -3.165 1.00 0.00 C ATOM 897 C LEU A 60 4.027 19.047 -2.081 1.00 0.00 C ATOM 898 O LEU A 60 4.287 19.768 -1.118 1.00 0.00 O ATOM 899 CB LEU A 60 5.234 20.002 -4.175 1.00 0.00 C ATOM 900 CG LEU A 60 3.933 20.418 -4.884 1.00 0.00 C ATOM 901 CD1 LEU A 60 3.250 21.557 -4.119 1.00 0.00 C ATOM 902 CD2 LEU A 60 4.232 20.881 -6.314 1.00 0.00 C ATOM 0 H LEU A 60 4.605 17.721 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 60 6.018 18.822 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.637 20.871 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.964 19.716 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 60 3.270 19.554 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.331 21.841 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.013 21.226 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.919 22.416 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.303 21.172 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.910 21.734 -6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.696 20.067 -6.871 1.00 0.00 H new ATOM 914 N CYS A 61 2.860 18.382 -2.179 1.00 0.00 N ATOM 915 CA CYS A 61 1.850 18.371 -1.103 1.00 0.00 C ATOM 916 C CYS A 61 1.991 17.194 -0.116 1.00 0.00 C ATOM 917 O CYS A 61 1.380 17.228 0.954 1.00 0.00 O ATOM 918 CB CYS A 61 0.431 18.481 -1.698 1.00 0.00 C ATOM 919 SG CYS A 61 -0.279 16.851 -2.100 1.00 0.00 S ATOM 0 H CYS A 61 2.592 17.840 -3.001 1.00 0.00 H new ATOM 0 HA CYS A 61 2.036 19.253 -0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.219 18.993 -0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.464 19.093 -2.599 1.00 0.00 H new ATOM 0 HG CYS A 61 0.560 16.181 -2.833 1.00 0.00 H new ATOM 925 N LEU A 62 2.794 16.171 -0.439 1.00 0.00 N ATOM 926 CA LEU A 62 3.063 15.046 0.463 1.00 0.00 C ATOM 927 C LEU A 62 3.987 15.501 1.598 1.00 0.00 C ATOM 928 O LEU A 62 5.197 15.649 1.410 1.00 0.00 O ATOM 929 CB LEU A 62 3.663 13.848 -0.300 1.00 0.00 C ATOM 930 CG LEU A 62 2.760 13.204 -1.369 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.470 11.966 -1.931 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.389 12.791 -0.819 1.00 0.00 C ATOM 0 H LEU A 62 3.276 16.101 -1.335 1.00 0.00 H new ATOM 0 HA LEU A 62 2.119 14.711 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.585 14.175 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.936 13.082 0.425 1.00 0.00 H new ATOM 0 HG LEU A 62 2.584 13.949 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.842 11.499 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.419 12.262 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.654 11.255 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.797 12.343 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.522 12.066 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.872 13.670 -0.433 1.00 0.00 H new ATOM 944 N ARG A 63 3.415 15.712 2.788 1.00 0.00 N ATOM 945 CA ARG A 63 4.159 16.172 3.967 1.00 0.00 C ATOM 946 C ARG A 63 5.121 15.090 4.484 1.00 0.00 C ATOM 947 O ARG A 63 6.250 15.401 4.867 1.00 0.00 O ATOM 948 CB ARG A 63 3.160 16.584 5.063 1.00 0.00 C ATOM 949 CG ARG A 63 3.816 17.324 6.246 1.00 0.00 C ATOM 950 CD ARG A 63 4.126 18.799 5.946 1.00 0.00 C ATOM 951 NE ARG A 63 2.889 19.607 5.933 1.00 0.00 N ATOM 952 CZ ARG A 63 2.238 20.065 6.998 1.00 0.00 C ATOM 953 NH1 ARG A 63 2.723 19.956 8.219 1.00 0.00 N ATOM 954 NH2 ARG A 63 1.065 20.638 6.848 1.00 0.00 N ATOM 0 H ARG A 63 2.420 15.568 2.962 1.00 0.00 H new ATOM 0 HA ARG A 63 4.767 17.032 3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.394 17.224 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.655 15.693 5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.156 17.268 7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.740 16.814 6.517 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.812 19.190 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.628 18.880 4.982 1.00 0.00 H new ATOM 0 HE ARG A 63 2.497 19.835 5.019 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.627 19.508 8.371 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.195 20.320 9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.658 20.730 5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.562 20.991 7.662 1.00 0.00 H new ATOM 968 N ARG A 64 4.677 13.825 4.476 1.00 0.00 N ATOM 969 CA ARG A 64 5.401 12.667 5.016 1.00 0.00 C ATOM 970 C ARG A 64 4.830 11.341 4.495 1.00 0.00 C ATOM 971 O ARG A 64 3.662 11.264 4.107 1.00 0.00 O ATOM 972 CB ARG A 64 5.425 12.727 6.559 1.00 0.00 C ATOM 973 CG ARG A 64 4.125 12.267 7.241 1.00 0.00 C ATOM 974 CD ARG A 64 4.077 12.635 8.729 1.00 0.00 C ATOM 975 NE ARG A 64 3.688 14.041 8.909 1.00 0.00 N ATOM 976 CZ ARG A 64 4.182 14.944 9.742 1.00 0.00 C ATOM 977 NH1 ARG A 64 5.196 14.701 10.549 1.00 0.00 N ATOM 978 NH2 ARG A 64 3.624 16.133 9.765 1.00 0.00 N ATOM 0 H ARG A 64 3.772 13.572 4.079 1.00 0.00 H new ATOM 0 HA ARG A 64 6.431 12.711 4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.247 12.109 6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.637 13.751 6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.273 12.717 6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.026 11.187 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.367 11.988 9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.053 12.463 9.182 1.00 0.00 H new ATOM 0 HE ARG A 64 2.931 14.367 8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.638 13.782 10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.539 15.432 11.172 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.834 16.338 9.153 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.980 16.851 10.395 1.00 0.00 H new ATOM 992 N TYR A 65 5.655 10.299 4.508 1.00 0.00 N ATOM 993 CA TYR A 65 5.366 8.973 3.944 1.00 0.00 C ATOM 994 C TYR A 65 6.217 7.887 4.617 1.00 0.00 C ATOM 995 O TYR A 65 7.367 8.132 4.977 1.00 0.00 O ATOM 996 CB TYR A 65 5.596 8.994 2.424 1.00 0.00 C ATOM 997 CG TYR A 65 6.984 9.453 2.015 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.042 8.529 1.909 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.222 10.819 1.772 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.340 8.967 1.586 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.519 11.263 1.465 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.586 10.343 1.382 1.00 0.00 C ATOM 1003 OH TYR A 65 10.844 10.793 1.116 1.00 0.00 O ATOM 0 H TYR A 65 6.583 10.351 4.928 1.00 0.00 H new ATOM 0 HA TYR A 65 4.321 8.731 4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.424 7.993 2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.857 9.651 1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.856 7.478 2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.407 11.526 1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.145 8.253 1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.700 12.313 1.292 1.00 0.00 H new ATOM 0 HH TYR A 65 10.826 11.766 1.003 1.00 0.00 H new ATOM 1013 N GLY A 66 5.657 6.693 4.807 1.00 0.00 N ATOM 1014 CA GLY A 66 6.287 5.580 5.518 1.00 0.00 C ATOM 1015 C GLY A 66 5.865 4.206 5.011 1.00 0.00 C ATOM 1016 O GLY A 66 4.976 4.086 4.163 1.00 0.00 O ATOM 0 H GLY A 66 4.725 6.466 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.370 5.672 5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.045 5.655 6.578 1.00 0.00 H new ATOM 1020 N TYR A 67 6.511 3.158 5.526 1.00 0.00 N ATOM 1021 CA TYR A 67 6.389 1.806 4.970 1.00 0.00 C ATOM 1022 C TYR A 67 6.688 0.692 5.995 1.00 0.00 C ATOM 1023 O TYR A 67 7.826 0.434 6.381 1.00 0.00 O ATOM 1024 CB TYR A 67 7.252 1.697 3.700 1.00 0.00 C ATOM 1025 CG TYR A 67 8.723 1.387 3.930 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.550 2.258 4.676 1.00 0.00 C ATOM 1027 CD2 TYR A 67 9.219 0.135 3.523 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.876 1.894 4.972 1.00 0.00 C ATOM 1029 CE2 TYR A 67 10.544 -0.236 3.819 1.00 0.00 C ATOM 1030 CZ TYR A 67 11.382 0.649 4.534 1.00 0.00 C ATOM 1031 OH TYR A 67 12.660 0.281 4.830 1.00 0.00 O ATOM 0 H TYR A 67 7.130 3.220 6.335 1.00 0.00 H new ATOM 0 HA TYR A 67 5.346 1.645 4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.831 0.920 3.062 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.178 2.636 3.151 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.162 3.206 5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.579 -0.545 2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.508 2.566 5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.920 -1.197 3.500 1.00 0.00 H new ATOM 0 HH TYR A 67 12.841 -0.605 4.452 1.00 0.00 H new ATOM 1041 N ASP A 68 5.648 -0.008 6.431 1.00 0.00 N ATOM 1042 CA ASP A 68 5.761 -1.093 7.416 1.00 0.00 C ATOM 1043 C ASP A 68 5.789 -2.479 6.740 1.00 0.00 C ATOM 1044 O ASP A 68 5.770 -2.594 5.511 1.00 0.00 O ATOM 1045 CB ASP A 68 4.646 -0.972 8.474 1.00 0.00 C ATOM 1046 CG ASP A 68 5.188 -1.182 9.894 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.739 -2.275 10.159 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.062 -0.258 10.734 1.00 0.00 O ATOM 0 H ASP A 68 4.693 0.157 6.113 1.00 0.00 H new ATOM 0 HA ASP A 68 6.716 -0.993 7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.182 0.012 8.403 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.868 -1.707 8.269 1.00 0.00 H new ATOM 1053 N SER A 69 5.821 -3.551 7.532 1.00 0.00 N ATOM 1054 CA SER A 69 5.703 -4.921 7.018 1.00 0.00 C ATOM 1055 C SER A 69 4.362 -5.117 6.276 1.00 0.00 C ATOM 1056 O SER A 69 3.279 -5.038 6.863 1.00 0.00 O ATOM 1057 CB SER A 69 5.920 -5.952 8.142 1.00 0.00 C ATOM 1058 OG SER A 69 5.145 -5.692 9.308 1.00 0.00 O ATOM 0 H SER A 69 5.929 -3.498 8.545 1.00 0.00 H new ATOM 0 HA SER A 69 6.493 -5.089 6.286 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.674 -6.945 7.766 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.976 -5.966 8.413 1.00 0.00 H new ATOM 0 HG SER A 69 5.326 -6.381 9.981 1.00 0.00 H new ATOM 1064 N ASN A 70 4.439 -5.324 4.952 1.00 0.00 N ATOM 1065 CA ASN A 70 3.299 -5.491 4.036 1.00 0.00 C ATOM 1066 C ASN A 70 2.383 -4.240 3.932 1.00 0.00 C ATOM 1067 O ASN A 70 1.213 -4.367 3.566 1.00 0.00 O ATOM 1068 CB ASN A 70 2.545 -6.793 4.399 1.00 0.00 C ATOM 1069 CG ASN A 70 1.597 -7.306 3.314 1.00 0.00 C ATOM 1070 OD1 ASN A 70 1.759 -7.054 2.127 1.00 0.00 O ATOM 1071 ND2 ASN A 70 0.585 -8.065 3.692 1.00 0.00 N ATOM 0 H ASN A 70 5.336 -5.382 4.470 1.00 0.00 H new ATOM 0 HA ASN A 70 3.687 -5.590 3.022 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.276 -7.570 4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.973 -6.623 5.311 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.059 -8.440 2.996 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.448 -8.277 4.680 1.00 0.00 H new ATOM 1078 N LEU A 71 2.872 -3.030 4.255 1.00 0.00 N ATOM 1079 CA LEU A 71 2.057 -1.807 4.385 1.00 0.00 C ATOM 1080 C LEU A 71 2.795 -0.554 3.883 1.00 0.00 C ATOM 1081 O LEU A 71 3.971 -0.360 4.174 1.00 0.00 O ATOM 1082 CB LEU A 71 1.661 -1.655 5.871 1.00 0.00 C ATOM 1083 CG LEU A 71 0.642 -0.534 6.178 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -0.772 -0.916 5.718 1.00 0.00 C ATOM 1085 CD2 LEU A 71 0.618 -0.242 7.685 1.00 0.00 C ATOM 0 H LEU A 71 3.863 -2.871 4.437 1.00 0.00 H new ATOM 0 HA LEU A 71 1.170 -1.903 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.248 -2.602 6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.564 -1.470 6.452 1.00 0.00 H new ATOM 0 HG LEU A 71 0.956 0.354 5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.462 -0.104 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.769 -1.094 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.090 -1.822 6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.103 0.549 7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.331 -1.144 8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.609 0.076 8.010 1.00 0.00 H new ATOM 1097 N PHE A 72 2.080 0.331 3.189 1.00 0.00 N ATOM 1098 CA PHE A 72 2.544 1.637 2.717 1.00 0.00 C ATOM 1099 C PHE A 72 1.549 2.725 3.153 1.00 0.00 C ATOM 1100 O PHE A 72 0.338 2.534 3.051 1.00 0.00 O ATOM 1101 CB PHE A 72 2.677 1.575 1.188 1.00 0.00 C ATOM 1102 CG PHE A 72 3.066 2.887 0.535 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.322 3.468 0.801 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.168 3.530 -0.338 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.670 4.695 0.209 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.521 4.750 -0.936 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.766 5.335 -0.657 1.00 0.00 C ATOM 0 H PHE A 72 1.111 0.148 2.927 1.00 0.00 H new ATOM 0 HA PHE A 72 3.514 1.885 3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.422 0.822 0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.728 1.242 0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.018 2.970 1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.207 3.084 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.629 5.145 0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.834 5.239 -1.611 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.030 6.280 -1.109 1.00 0.00 H new ATOM 1117 N SER A 73 2.037 3.863 3.646 1.00 0.00 N ATOM 1118 CA SER A 73 1.187 4.952 4.166 1.00 0.00 C ATOM 1119 C SER A 73 1.781 6.349 3.914 1.00 0.00 C ATOM 1120 O SER A 73 3.002 6.509 3.862 1.00 0.00 O ATOM 1121 CB SER A 73 0.945 4.712 5.664 1.00 0.00 C ATOM 1122 OG SER A 73 0.051 5.657 6.230 1.00 0.00 O ATOM 0 H SER A 73 3.036 4.063 3.699 1.00 0.00 H new ATOM 0 HA SER A 73 0.240 4.936 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.546 3.708 5.808 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.897 4.755 6.194 1.00 0.00 H new ATOM 0 HG SER A 73 -0.602 5.935 5.554 1.00 0.00 H new ATOM 1128 N PHE A 74 0.930 7.374 3.776 1.00 0.00 N ATOM 1129 CA PHE A 74 1.343 8.768 3.519 1.00 0.00 C ATOM 1130 C PHE A 74 0.291 9.823 3.910 1.00 0.00 C ATOM 1131 O PHE A 74 -0.898 9.526 4.023 1.00 0.00 O ATOM 1132 CB PHE A 74 1.779 8.930 2.050 1.00 0.00 C ATOM 1133 CG PHE A 74 0.703 8.610 1.030 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.209 9.600 0.616 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.613 7.310 0.497 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.210 9.288 -0.321 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.383 7.001 -0.444 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.298 7.988 -0.849 1.00 0.00 C ATOM 0 H PHE A 74 -0.082 7.261 3.840 1.00 0.00 H new ATOM 0 HA PHE A 74 2.192 8.960 4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.113 9.956 1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.638 8.284 1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.140 10.600 1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.311 6.549 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.911 10.047 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.446 6.005 -0.856 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.069 7.748 -1.566 1.00 0.00 H new ATOM 1148 N GLU A 75 0.752 11.067 4.096 1.00 0.00 N ATOM 1149 CA GLU A 75 -0.049 12.240 4.473 1.00 0.00 C ATOM 1150 C GLU A 75 -0.145 13.242 3.309 1.00 0.00 C ATOM 1151 O GLU A 75 0.869 13.651 2.741 1.00 0.00 O ATOM 1152 CB GLU A 75 0.577 12.906 5.712 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.282 14.039 6.293 1.00 0.00 C ATOM 1154 CD GLU A 75 0.284 14.581 7.615 1.00 0.00 C ATOM 1155 OE1 GLU A 75 1.440 15.060 7.633 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -0.430 14.543 8.643 1.00 0.00 O ATOM 0 H GLU A 75 1.740 11.294 3.982 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.062 11.915 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.736 12.150 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.557 13.302 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.347 14.851 5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.296 13.675 6.457 1.00 0.00 H new ATOM 1163 N SER A 76 -1.363 13.661 2.970 1.00 0.00 N ATOM 1164 CA SER A 76 -1.686 14.609 1.896 1.00 0.00 C ATOM 1165 C SER A 76 -1.948 16.036 2.418 1.00 0.00 C ATOM 1166 O SER A 76 -2.381 16.234 3.558 1.00 0.00 O ATOM 1167 CB SER A 76 -2.910 14.102 1.118 1.00 0.00 C ATOM 1168 OG SER A 76 -4.051 13.963 1.955 1.00 0.00 O ATOM 0 H SER A 76 -2.196 13.334 3.460 1.00 0.00 H new ATOM 0 HA SER A 76 -0.817 14.667 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.137 14.794 0.307 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.676 13.141 0.660 1.00 0.00 H new ATOM 0 HG SER A 76 -4.664 14.712 1.800 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.689 17.046 1.576 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.877 18.467 1.903 1.00 0.00 C ATOM 1176 C GLY A 77 -3.297 18.980 1.629 1.00 0.00 C ATOM 1177 O GLY A 77 -4.062 18.378 0.875 1.00 0.00 O ATOM 0 H GLY A 77 -1.336 16.896 0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.641 18.623 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.168 19.061 1.326 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.634 20.144 2.199 1.00 0.00 N ATOM 1182 CA ARG A 78 -4.966 20.794 2.164 1.00 0.00 C ATOM 1183 C ARG A 78 -5.446 21.344 0.796 1.00 0.00 C ATOM 1184 O ARG A 78 -6.406 22.118 0.751 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.057 21.867 3.276 1.00 0.00 C ATOM 1186 CG ARG A 78 -4.222 23.153 3.092 1.00 0.00 C ATOM 1187 CD ARG A 78 -2.719 23.038 3.391 1.00 0.00 C ATOM 1188 NE ARG A 78 -2.463 22.650 4.794 1.00 0.00 N ATOM 1189 CZ ARG A 78 -1.511 23.118 5.592 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -0.549 23.910 5.161 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -1.526 22.775 6.860 1.00 0.00 N ATOM 0 H ARG A 78 -2.955 20.693 2.726 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.671 19.984 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.103 22.156 3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.759 21.404 4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.341 23.494 2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.640 23.927 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.272 22.301 2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.234 23.992 3.184 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.085 21.947 5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.517 24.186 4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.163 24.247 5.809 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.259 22.161 7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.804 23.123 7.491 1.00 0.00 H new ATOM 1205 N ARG A 79 -4.790 20.972 -0.311 1.00 0.00 N ATOM 1206 CA ARG A 79 -4.988 21.536 -1.661 1.00 0.00 C ATOM 1207 C ARG A 79 -4.913 20.499 -2.804 1.00 0.00 C ATOM 1208 O ARG A 79 -4.586 20.840 -3.943 1.00 0.00 O ATOM 1209 CB ARG A 79 -4.133 22.795 -1.843 1.00 0.00 C ATOM 1210 CG ARG A 79 -2.635 22.662 -1.554 1.00 0.00 C ATOM 1211 CD ARG A 79 -1.789 22.012 -2.658 1.00 0.00 C ATOM 1212 NE ARG A 79 -1.808 22.803 -3.903 1.00 0.00 N ATOM 1213 CZ ARG A 79 -1.262 22.467 -5.066 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -0.605 21.338 -5.228 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -1.369 23.276 -6.096 1.00 0.00 N ATOM 0 H ARG A 79 -4.078 20.242 -0.295 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.026 21.861 -1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.251 23.140 -2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.535 23.575 -1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.234 23.656 -1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.512 22.080 -0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.761 21.904 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.164 21.009 -2.860 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.290 23.701 -3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.503 20.691 -4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.198 21.111 -6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.870 24.159 -6.001 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.951 23.021 -6.991 1.00 0.00 H new ATOM 1229 N CYS A 80 -5.216 19.231 -2.504 1.00 0.00 N ATOM 1230 CA CYS A 80 -5.333 18.117 -3.462 1.00 0.00 C ATOM 1231 C CYS A 80 -6.795 17.619 -3.584 1.00 0.00 C ATOM 1232 O CYS A 80 -7.699 18.188 -2.966 1.00 0.00 O ATOM 1233 CB CYS A 80 -4.344 17.017 -3.031 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.894 16.256 -1.476 1.00 0.00 S ATOM 0 H CYS A 80 -5.395 18.936 -1.544 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.070 18.447 -4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.270 16.258 -3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.348 17.442 -2.905 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.579 17.029 -0.479 1.00 0.00 H new ATOM 1240 N GLN A 81 -7.036 16.550 -4.355 1.00 0.00 N ATOM 1241 CA GLN A 81 -8.381 15.990 -4.600 1.00 0.00 C ATOM 1242 C GLN A 81 -9.113 15.534 -3.326 1.00 0.00 C ATOM 1243 O GLN A 81 -10.346 15.576 -3.288 1.00 0.00 O ATOM 1244 CB GLN A 81 -8.277 14.784 -5.553 1.00 0.00 C ATOM 1245 CG GLN A 81 -8.019 15.169 -7.016 1.00 0.00 C ATOM 1246 CD GLN A 81 -7.862 13.922 -7.888 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -6.764 13.530 -8.246 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -8.926 13.227 -8.236 1.00 0.00 N ATOM 0 H GLN A 81 -6.295 16.039 -4.835 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.963 16.802 -5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.473 14.132 -5.212 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.201 14.208 -5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.844 15.776 -7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.119 15.780 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.854 13.536 -7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.822 12.379 -8.794 1.00 0.00 H new ATOM 1257 N THR A 82 -8.374 15.099 -2.295 1.00 0.00 N ATOM 1258 CA THR A 82 -8.919 14.516 -1.058 1.00 0.00 C ATOM 1259 C THR A 82 -8.870 15.455 0.144 1.00 0.00 C ATOM 1260 O THR A 82 -9.456 15.143 1.182 1.00 0.00 O ATOM 1261 CB THR A 82 -8.179 13.217 -0.725 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.787 13.457 -0.674 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.443 12.124 -1.758 1.00 0.00 C ATOM 0 H THR A 82 -7.355 15.144 -2.297 1.00 0.00 H new ATOM 0 HA THR A 82 -9.973 14.322 -1.254 1.00 0.00 H new ATOM 0 HB THR A 82 -8.550 12.877 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.477 13.391 0.253 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.898 11.222 -1.481 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.511 11.907 -1.793 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.109 12.462 -2.739 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.180 16.594 0.028 1.00 0.00 N ATOM 1272 CA GLY A 83 -7.870 17.484 1.151 1.00 0.00 C ATOM 1273 C GLY A 83 -6.771 16.923 2.060 1.00 0.00 C ATOM 1274 O GLY A 83 -6.067 15.972 1.710 1.00 0.00 O ATOM 0 H GLY A 83 -7.815 16.929 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.558 18.454 0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.773 17.650 1.738 1.00 0.00 H new ATOM 1278 N GLN A 84 -6.618 17.529 3.237 1.00 0.00 N ATOM 1279 CA GLN A 84 -5.610 17.134 4.224 1.00 0.00 C ATOM 1280 C GLN A 84 -6.064 15.876 4.983 1.00 0.00 C ATOM 1281 O GLN A 84 -7.132 15.863 5.605 1.00 0.00 O ATOM 1282 CB GLN A 84 -5.336 18.320 5.165 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.114 18.108 6.073 1.00 0.00 C ATOM 1284 CD GLN A 84 -3.819 19.340 6.935 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -3.518 20.428 6.449 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -3.890 19.227 8.246 1.00 0.00 N ATOM 0 H GLN A 84 -7.195 18.315 3.536 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.677 16.876 3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.185 19.220 4.569 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.215 18.493 5.786 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.287 17.247 6.718 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.243 17.877 5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.138 18.332 8.668 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.697 20.034 8.839 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.252 14.816 4.936 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.540 13.521 5.563 1.00 0.00 C ATOM 1297 C GLY A 85 -4.385 12.529 5.450 1.00 0.00 C ATOM 1298 O GLY A 85 -3.316 12.856 4.936 1.00 0.00 O ATOM 0 H GLY A 85 -4.355 14.834 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.774 13.678 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.428 13.090 5.100 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.596 11.306 5.937 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.623 10.198 5.888 1.00 0.00 C ATOM 1304 C ILE A 86 -4.317 8.968 5.294 1.00 0.00 C ATOM 1305 O ILE A 86 -5.454 8.661 5.664 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.045 9.914 7.301 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.292 11.131 7.884 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.113 8.682 7.288 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -1.988 11.015 9.381 1.00 0.00 C ATOM 0 H ILE A 86 -5.471 11.044 6.391 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.778 10.466 5.254 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.900 9.708 7.945 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.355 11.260 7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.885 12.029 7.712 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.724 8.509 8.292 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.672 7.806 6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.284 8.860 6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.459 11.907 9.715 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.921 10.918 9.935 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.367 10.137 9.559 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.631 8.263 4.392 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.139 7.080 3.692 1.00 0.00 C ATOM 1323 C PHE A 87 -3.113 5.944 3.744 1.00 0.00 C ATOM 1324 O PHE A 87 -1.912 6.181 3.600 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.461 7.440 2.233 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.433 8.589 2.075 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.788 8.413 2.410 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.980 9.843 1.627 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.686 9.489 2.303 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.879 10.918 1.523 1.00 0.00 C ATOM 1331 CZ PHE A 87 -7.229 10.744 1.867 1.00 0.00 C ATOM 0 H PHE A 87 -2.678 8.506 4.120 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.050 6.742 4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.533 7.691 1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.872 6.561 1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.139 7.450 2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.942 9.980 1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.727 9.351 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.531 11.880 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.916 11.574 1.797 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.597 4.711 3.919 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.763 3.520 4.054 1.00 0.00 C ATOM 1343 C ALA A 88 -3.304 2.334 3.248 1.00 0.00 C ATOM 1344 O ALA A 88 -4.518 2.127 3.117 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.614 3.175 5.537 1.00 0.00 C ATOM 0 H ALA A 88 -4.596 4.512 3.971 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.780 3.738 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.992 2.286 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.146 4.010 6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.597 2.983 5.966 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.363 1.562 2.710 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.608 0.492 1.749 1.00 0.00 C ATOM 1353 C PHE A 89 -1.673 -0.694 2.009 1.00 0.00 C ATOM 1354 O PHE A 89 -0.459 -0.525 2.123 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.416 1.025 0.315 1.00 0.00 C ATOM 1356 CG PHE A 89 -3.119 2.332 -0.014 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.521 3.561 0.329 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.369 2.325 -0.660 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.188 4.769 0.067 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -5.037 3.535 -0.919 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.447 4.758 -0.556 1.00 0.00 C ATOM 0 H PHE A 89 -1.375 1.669 2.940 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.635 0.145 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.348 1.156 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.764 0.264 -0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.547 3.574 0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.816 1.388 -0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.732 5.708 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.005 3.525 -1.398 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.960 5.687 -0.756 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.218 -1.910 2.073 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.430 -3.137 2.150 1.00 0.00 C ATOM 1373 C LYS A 90 -0.830 -3.464 0.777 1.00 0.00 C ATOM 1374 O LYS A 90 -1.498 -3.322 -0.252 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.285 -4.290 2.701 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.410 -4.200 4.229 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.293 -5.332 4.775 1.00 0.00 C ATOM 1378 CE LYS A 90 -3.438 -5.281 6.305 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.196 -5.688 7.017 1.00 0.00 N ATOM 0 H LYS A 90 -3.225 -2.070 2.073 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.602 -2.993 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.276 -4.261 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.837 -5.244 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.420 -4.255 4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.835 -3.236 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.280 -5.271 4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.867 -6.293 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.709 -4.269 6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.256 -5.934 6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.351 -5.635 8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.949 -6.664 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.419 -5.051 6.751 1.00 0.00 H new ATOM 1393 N CYS A 91 0.436 -3.881 0.776 1.00 0.00 N ATOM 1394 CA CYS A 91 1.235 -4.171 -0.413 1.00 0.00 C ATOM 1395 C CYS A 91 2.527 -4.902 -0.011 1.00 0.00 C ATOM 1396 O CYS A 91 3.284 -4.402 0.822 1.00 0.00 O ATOM 1397 CB CYS A 91 1.553 -2.848 -1.135 1.00 0.00 C ATOM 1398 SG CYS A 91 2.455 -3.186 -2.675 1.00 0.00 S ATOM 0 H CYS A 91 0.954 -4.032 1.641 1.00 0.00 H new ATOM 0 HA CYS A 91 0.678 -4.820 -1.089 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.630 -2.312 -1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.149 -2.204 -0.488 1.00 0.00 H new ATOM 0 HG CYS A 91 1.607 -3.397 -3.637 1.00 0.00 H new ATOM 1404 N SER A 92 2.828 -6.047 -0.622 1.00 0.00 N ATOM 1405 CA SER A 92 4.065 -6.799 -0.343 1.00 0.00 C ATOM 1406 C SER A 92 5.329 -6.100 -0.877 1.00 0.00 C ATOM 1407 O SER A 92 6.435 -6.343 -0.386 1.00 0.00 O ATOM 1408 CB SER A 92 3.956 -8.205 -0.947 1.00 0.00 C ATOM 1409 OG SER A 92 3.692 -8.127 -2.342 1.00 0.00 O ATOM 0 H SER A 92 2.229 -6.484 -1.322 1.00 0.00 H new ATOM 0 HA SER A 92 4.169 -6.854 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.882 -8.754 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.160 -8.760 -0.450 1.00 0.00 H new ATOM 0 HG SER A 92 3.627 -9.031 -2.714 1.00 0.00 H new ATOM 1415 N ARG A 93 5.152 -5.189 -1.844 1.00 0.00 N ATOM 1416 CA ARG A 93 6.199 -4.405 -2.513 1.00 0.00 C ATOM 1417 C ARG A 93 6.244 -2.946 -2.020 1.00 0.00 C ATOM 1418 O ARG A 93 6.845 -2.090 -2.669 1.00 0.00 O ATOM 1419 CB ARG A 93 6.015 -4.520 -4.040 1.00 0.00 C ATOM 1420 CG ARG A 93 6.157 -5.975 -4.532 1.00 0.00 C ATOM 1421 CD ARG A 93 5.974 -6.119 -6.048 1.00 0.00 C ATOM 1422 NE ARG A 93 7.042 -5.437 -6.797 1.00 0.00 N ATOM 1423 CZ ARG A 93 6.980 -4.981 -8.040 1.00 0.00 C ATOM 1424 NH1 ARG A 93 5.916 -5.135 -8.800 1.00 0.00 N ATOM 1425 NH2 ARG A 93 8.001 -4.338 -8.552 1.00 0.00 N ATOM 0 H ARG A 93 4.222 -4.967 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 93 7.174 -4.816 -2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.032 -4.138 -4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.753 -3.894 -4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.141 -6.352 -4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.422 -6.598 -4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.963 -7.176 -6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.007 -5.707 -6.338 1.00 0.00 H new ATOM 0 HE ARG A 93 7.926 -5.301 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.096 -5.622 -8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.911 -4.768 -9.752 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.842 -4.189 -7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.955 -3.987 -9.508 1.00 0.00 H new ATOM 1439 N ALA A 94 5.652 -2.650 -0.854 1.00 0.00 N ATOM 1440 CA ALA A 94 5.649 -1.329 -0.206 1.00 0.00 C ATOM 1441 C ALA A 94 7.045 -0.684 -0.091 1.00 0.00 C ATOM 1442 O ALA A 94 7.177 0.527 -0.250 1.00 0.00 O ATOM 1443 CB ALA A 94 5.020 -1.494 1.184 1.00 0.00 C ATOM 0 H ALA A 94 5.142 -3.350 -0.315 1.00 0.00 H new ATOM 0 HA ALA A 94 5.072 -0.648 -0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.003 -0.530 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.001 -1.868 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.609 -2.202 1.768 1.00 0.00 H new ATOM 1449 N GLU A 95 8.082 -1.500 0.122 1.00 0.00 N ATOM 1450 CA GLU A 95 9.490 -1.089 0.145 1.00 0.00 C ATOM 1451 C GLU A 95 9.955 -0.489 -1.194 1.00 0.00 C ATOM 1452 O GLU A 95 10.624 0.545 -1.203 1.00 0.00 O ATOM 1453 CB GLU A 95 10.321 -2.316 0.558 1.00 0.00 C ATOM 1454 CG GLU A 95 11.842 -2.113 0.567 1.00 0.00 C ATOM 1455 CD GLU A 95 12.510 -2.759 -0.658 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.748 -3.990 -0.632 1.00 0.00 O ATOM 1457 OE2 GLU A 95 12.806 -2.044 -1.642 1.00 0.00 O ATOM 0 H GLU A 95 7.961 -2.499 0.289 1.00 0.00 H new ATOM 0 HA GLU A 95 9.628 -0.284 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.008 -2.626 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.086 -3.137 -0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.067 -1.047 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.261 -2.541 1.478 1.00 0.00 H new ATOM 1464 N GLU A 96 9.557 -1.075 -2.326 1.00 0.00 N ATOM 1465 CA GLU A 96 9.900 -0.554 -3.653 1.00 0.00 C ATOM 1466 C GLU A 96 9.142 0.748 -3.960 1.00 0.00 C ATOM 1467 O GLU A 96 9.716 1.661 -4.555 1.00 0.00 O ATOM 1468 CB GLU A 96 9.585 -1.584 -4.749 1.00 0.00 C ATOM 1469 CG GLU A 96 10.447 -2.848 -4.680 1.00 0.00 C ATOM 1470 CD GLU A 96 9.997 -3.860 -5.740 1.00 0.00 C ATOM 1471 OE1 GLU A 96 10.192 -3.614 -6.953 1.00 0.00 O ATOM 1472 OE2 GLU A 96 9.408 -4.901 -5.375 1.00 0.00 O ATOM 0 H GLU A 96 8.989 -1.922 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 96 10.970 -0.349 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.535 -1.868 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.722 -1.116 -5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.495 -2.590 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.372 -3.293 -3.688 1.00 0.00 H new ATOM 1479 N ILE A 97 7.878 0.866 -3.526 1.00 0.00 N ATOM 1480 CA ILE A 97 7.084 2.103 -3.667 1.00 0.00 C ATOM 1481 C ILE A 97 7.734 3.239 -2.869 1.00 0.00 C ATOM 1482 O ILE A 97 7.951 4.322 -3.410 1.00 0.00 O ATOM 1483 CB ILE A 97 5.607 1.905 -3.234 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.933 0.738 -3.991 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.820 3.212 -3.471 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.522 0.400 -3.493 1.00 0.00 C ATOM 0 H ILE A 97 7.374 0.107 -3.066 1.00 0.00 H new ATOM 0 HA ILE A 97 7.072 2.368 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 97 5.600 1.653 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.882 0.988 -5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.560 -0.149 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.783 3.072 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.265 4.016 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.856 3.472 -4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.119 -0.429 -4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.565 0.117 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.877 1.271 -3.608 1.00 0.00 H new ATOM 1498 N PHE A 98 8.088 2.980 -1.605 1.00 0.00 N ATOM 1499 CA PHE A 98 8.766 3.926 -0.723 1.00 0.00 C ATOM 1500 C PHE A 98 10.103 4.400 -1.310 1.00 0.00 C ATOM 1501 O PHE A 98 10.370 5.604 -1.333 1.00 0.00 O ATOM 1502 CB PHE A 98 8.946 3.244 0.640 1.00 0.00 C ATOM 1503 CG PHE A 98 9.736 4.040 1.659 1.00 0.00 C ATOM 1504 CD1 PHE A 98 9.079 4.926 2.534 1.00 0.00 C ATOM 1505 CD2 PHE A 98 11.131 3.870 1.751 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.815 5.632 3.503 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.866 4.581 2.716 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.207 5.454 3.597 1.00 0.00 C ATOM 0 H PHE A 98 7.904 2.081 -1.159 1.00 0.00 H new ATOM 0 HA PHE A 98 8.163 4.827 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.961 3.030 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.443 2.286 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.010 5.064 2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.637 3.192 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.311 6.311 4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.937 4.456 2.780 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.770 5.989 4.347 1.00 0.00 H new ATOM 1518 N ASN A 99 10.919 3.478 -1.837 1.00 0.00 N ATOM 1519 CA ASN A 99 12.180 3.815 -2.497 1.00 0.00 C ATOM 1520 C ASN A 99 11.969 4.665 -3.757 1.00 0.00 C ATOM 1521 O ASN A 99 12.582 5.726 -3.875 1.00 0.00 O ATOM 1522 CB ASN A 99 12.982 2.547 -2.808 1.00 0.00 C ATOM 1523 CG ASN A 99 13.788 2.104 -1.594 1.00 0.00 C ATOM 1524 OD1 ASN A 99 14.738 2.765 -1.187 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.430 0.994 -0.983 1.00 0.00 N ATOM 0 H ASN A 99 10.720 2.478 -1.816 1.00 0.00 H new ATOM 0 HA ASN A 99 12.757 4.426 -1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.305 1.749 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.653 2.732 -3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.944 0.675 -0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.638 0.453 -1.331 1.00 0.00 H new ATOM 1532 N LEU A 100 11.066 4.264 -4.659 1.00 0.00 N ATOM 1533 CA LEU A 100 10.758 5.012 -5.879 1.00 0.00 C ATOM 1534 C LEU A 100 10.217 6.415 -5.556 1.00 0.00 C ATOM 1535 O LEU A 100 10.636 7.383 -6.187 1.00 0.00 O ATOM 1536 CB LEU A 100 9.783 4.170 -6.724 1.00 0.00 C ATOM 1537 CG LEU A 100 9.326 4.820 -8.046 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.500 5.148 -8.982 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.354 3.876 -8.767 1.00 0.00 C ATOM 0 H LEU A 100 10.525 3.405 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 100 11.665 5.182 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.257 3.215 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.901 3.952 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 100 8.838 5.761 -7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.120 5.603 -9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.178 5.842 -8.486 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.036 4.231 -9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.029 4.333 -9.702 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.855 2.931 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.487 3.693 -8.132 1.00 0.00 H new ATOM 1551 N LEU A 101 9.366 6.547 -4.535 1.00 0.00 N ATOM 1552 CA LEU A 101 8.858 7.835 -4.063 1.00 0.00 C ATOM 1553 C LEU A 101 9.990 8.771 -3.615 1.00 0.00 C ATOM 1554 O LEU A 101 10.062 9.896 -4.111 1.00 0.00 O ATOM 1555 CB LEU A 101 7.836 7.591 -2.938 1.00 0.00 C ATOM 1556 CG LEU A 101 7.102 8.863 -2.470 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.196 9.439 -3.568 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.247 8.525 -1.247 1.00 0.00 C ATOM 0 H LEU A 101 9.007 5.751 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 101 8.361 8.342 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.099 6.865 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.349 7.146 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 101 7.854 9.613 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.698 10.334 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.798 9.694 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.448 8.698 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.724 9.420 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.519 7.758 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.887 8.155 -0.446 1.00 0.00 H new ATOM 1570 N GLN A 102 10.888 8.325 -2.725 1.00 0.00 N ATOM 1571 CA GLN A 102 11.993 9.177 -2.278 1.00 0.00 C ATOM 1572 C GLN A 102 13.010 9.452 -3.398 1.00 0.00 C ATOM 1573 O GLN A 102 13.534 10.560 -3.473 1.00 0.00 O ATOM 1574 CB GLN A 102 12.663 8.640 -1.003 1.00 0.00 C ATOM 1575 CG GLN A 102 13.423 7.312 -1.139 1.00 0.00 C ATOM 1576 CD GLN A 102 14.224 6.922 0.110 1.00 0.00 C ATOM 1577 OE1 GLN A 102 14.410 7.687 1.048 1.00 0.00 O ATOM 1578 NE2 GLN A 102 14.741 5.711 0.185 1.00 0.00 N ATOM 0 H GLN A 102 10.871 7.394 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 102 11.554 10.140 -2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.358 9.396 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.895 8.518 -0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.710 6.518 -1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.103 7.379 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.604 5.050 -0.580 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.278 5.436 1.008 1.00 0.00 H new ATOM 1587 N ASP A 103 13.236 8.501 -4.313 1.00 0.00 N ATOM 1588 CA ASP A 103 14.130 8.659 -5.466 1.00 0.00 C ATOM 1589 C ASP A 103 13.639 9.757 -6.427 1.00 0.00 C ATOM 1590 O ASP A 103 14.440 10.563 -6.904 1.00 0.00 O ATOM 1591 CB ASP A 103 14.270 7.323 -6.224 1.00 0.00 C ATOM 1592 CG ASP A 103 15.183 6.280 -5.551 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.115 6.659 -4.804 1.00 0.00 O ATOM 1594 OD2 ASP A 103 14.999 5.072 -5.834 1.00 0.00 O ATOM 0 H ASP A 103 12.794 7.583 -4.271 1.00 0.00 H new ATOM 0 HA ASP A 103 15.104 8.962 -5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.278 6.888 -6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.655 7.529 -7.223 1.00 0.00 H new ATOM 1599 N LEU A 104 12.322 9.832 -6.663 1.00 0.00 N ATOM 1600 CA LEU A 104 11.686 10.870 -7.484 1.00 0.00 C ATOM 1601 C LEU A 104 11.646 12.236 -6.779 1.00 0.00 C ATOM 1602 O LEU A 104 11.677 13.268 -7.452 1.00 0.00 O ATOM 1603 CB LEU A 104 10.269 10.400 -7.867 1.00 0.00 C ATOM 1604 CG LEU A 104 10.251 9.201 -8.837 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.848 8.583 -8.877 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.671 9.606 -10.258 1.00 0.00 C ATOM 0 H LEU A 104 11.657 9.160 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 104 12.285 11.014 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.729 10.129 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.731 11.232 -8.322 1.00 0.00 H new ATOM 0 HG LEU A 104 10.972 8.471 -8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.843 7.737 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.572 8.242 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.131 9.330 -9.216 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.644 8.732 -10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.985 10.362 -10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.682 10.012 -10.237 1.00 0.00 H new ATOM 1618 N MET A 105 11.634 12.258 -5.442 1.00 0.00 N ATOM 1619 CA MET A 105 11.722 13.488 -4.640 1.00 0.00 C ATOM 1620 C MET A 105 13.152 14.041 -4.544 1.00 0.00 C ATOM 1621 O MET A 105 13.330 15.261 -4.584 1.00 0.00 O ATOM 1622 CB MET A 105 11.167 13.231 -3.233 1.00 0.00 C ATOM 1623 CG MET A 105 9.646 13.067 -3.228 1.00 0.00 C ATOM 1624 SD MET A 105 9.032 12.482 -1.634 1.00 0.00 S ATOM 1625 CE MET A 105 7.449 13.349 -1.566 1.00 0.00 C ATOM 0 H MET A 105 11.562 11.412 -4.877 1.00 0.00 H new ATOM 0 HA MET A 105 11.124 14.244 -5.150 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.628 12.333 -2.822 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.443 14.059 -2.580 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.178 14.022 -3.468 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.355 12.364 -4.008 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.944 13.111 -0.630 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.620 14.424 -1.623 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.826 13.036 -2.404 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.791 6.168 2.939 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.935 6.353 4.386 1.00 0.00 C ATOM 2021 C PHE A 136 -9.755 7.162 4.951 1.00 0.00 C ATOM 2022 O PHE A 136 -8.614 6.694 4.939 1.00 0.00 O ATOM 2023 CB PHE A 136 -11.080 4.977 5.057 1.00 0.00 C ATOM 2024 CG PHE A 136 -11.381 5.046 6.543 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -12.709 5.193 6.989 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -10.337 4.972 7.485 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -12.990 5.262 8.366 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -10.618 5.043 8.862 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.944 5.184 9.303 1.00 0.00 C ATOM 0 HA PHE A 136 -11.834 6.930 4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.877 4.424 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -10.159 4.412 4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -13.514 5.253 6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -9.317 4.860 7.149 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -14.010 5.375 8.704 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -9.813 4.989 9.580 1.00 0.00 H new ATOM 0 HZ PHE A 136 -12.160 5.232 10.360 1.00 0.00 H new ATOM 2039 N ARG A 137 -10.033 8.374 5.455 1.00 0.00 N ATOM 2040 CA ARG A 137 -9.030 9.242 6.084 1.00 0.00 C ATOM 2041 C ARG A 137 -8.693 8.715 7.484 1.00 0.00 C ATOM 2042 O ARG A 137 -9.573 8.632 8.347 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.529 10.696 6.198 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.550 11.512 4.891 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.738 11.229 3.962 1.00 0.00 C ATOM 2046 NE ARG A 137 -12.019 11.561 4.615 1.00 0.00 N ATOM 2047 CZ ARG A 137 -13.090 10.785 4.749 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -13.186 9.604 4.176 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -14.095 11.195 5.492 1.00 0.00 N ATOM 0 H ARG A 137 -10.968 8.781 5.437 1.00 0.00 H new ATOM 0 HA ARG A 137 -8.141 9.233 5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.539 10.681 6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.900 11.219 6.918 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -9.552 12.572 5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.627 11.316 4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.633 11.810 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.735 10.178 3.675 1.00 0.00 H new ATOM 0 HE ARG A 137 -12.091 12.498 5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.420 9.252 3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -14.027 9.041 4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -14.048 12.101 5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.921 10.607 5.601 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.421 8.402 7.733 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.912 8.041 9.059 1.00 0.00 C ATOM 2065 C LEU A 138 -6.642 9.313 9.882 1.00 0.00 C ATOM 2066 O LEU A 138 -6.026 10.259 9.384 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.639 7.180 8.914 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.798 5.886 8.091 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.449 5.171 7.981 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.803 4.928 8.735 1.00 0.00 C ATOM 0 H LEU A 138 -6.703 8.392 7.008 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.659 7.451 9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.861 7.789 8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.287 6.914 9.911 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.164 6.170 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.568 4.257 7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.730 5.825 7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -4.087 4.921 8.978 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.889 4.028 8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.461 4.660 9.734 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.776 5.414 8.803 1.00 0.00 H new ATOM 2082 N ARG A 139 -7.088 9.328 11.144 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.841 10.438 12.086 1.00 0.00 C ATOM 2084 C ARG A 139 -5.383 10.524 12.567 1.00 0.00 C ATOM 2085 O ARG A 139 -4.907 11.591 12.955 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.760 10.298 13.308 1.00 0.00 C ATOM 2087 CG ARG A 139 -9.211 10.698 12.992 1.00 0.00 C ATOM 2088 CD ARG A 139 -10.079 10.777 14.256 1.00 0.00 C ATOM 2089 NE ARG A 139 -9.692 11.913 15.115 1.00 0.00 N ATOM 2090 CZ ARG A 139 -10.163 12.186 16.327 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.076 11.436 16.908 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -9.715 13.238 16.978 1.00 0.00 N ATOM 0 H ARG A 139 -7.635 8.567 11.548 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.054 11.355 11.537 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.738 9.267 13.661 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.381 10.921 14.119 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.218 11.664 12.487 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.643 9.974 12.301 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -11.127 10.876 13.972 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.988 9.848 14.819 1.00 0.00 H new ATOM 0 HE ARG A 139 -8.992 12.553 14.740 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.444 10.616 16.426 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -11.415 11.675 17.840 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.010 13.839 16.552 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -10.073 13.452 17.909 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.680 9.395 12.536 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.293 9.210 12.975 1.00 0.00 C ATOM 2108 C HIS A 140 -2.515 8.268 12.030 1.00 0.00 C ATOM 2109 O HIS A 140 -3.107 7.502 11.264 1.00 0.00 O ATOM 2110 CB HIS A 140 -3.300 8.701 14.426 1.00 0.00 C ATOM 2111 CG HIS A 140 -4.031 7.394 14.610 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -3.513 6.128 14.324 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -5.316 7.259 15.049 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -4.504 5.263 14.599 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -5.598 5.912 15.038 1.00 0.00 N ATOM 0 H HIS A 140 -5.086 8.529 12.182 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.769 10.165 12.937 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -2.271 8.581 14.764 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.759 9.456 15.064 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.982 8.055 15.347 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -4.432 4.192 14.483 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -6.481 5.482 15.314 1.00 0.00 H new ATOM 2123 N PHE A 141 -1.181 8.344 12.060 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.312 7.610 11.137 1.00 0.00 C ATOM 2125 C PHE A 141 -0.091 6.158 11.631 1.00 0.00 C ATOM 2126 O PHE A 141 0.336 5.982 12.778 1.00 0.00 O ATOM 2127 CB PHE A 141 0.996 8.400 10.957 1.00 0.00 C ATOM 2128 CG PHE A 141 1.601 8.255 9.576 1.00 0.00 C ATOM 2129 CD1 PHE A 141 2.348 7.110 9.254 1.00 0.00 C ATOM 2130 CD2 PHE A 141 1.434 9.271 8.614 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.919 6.981 7.979 1.00 0.00 C ATOM 2132 CE2 PHE A 141 2.005 9.138 7.337 1.00 0.00 C ATOM 2133 CZ PHE A 141 2.748 7.989 7.020 1.00 0.00 C ATOM 0 H PHE A 141 -0.671 8.920 12.730 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.782 7.519 10.158 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.804 9.455 11.153 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.720 8.064 11.700 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.483 6.329 9.988 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.865 10.156 8.859 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.494 6.100 7.735 1.00 0.00 H new ATOM 0 HE2 PHE A 141 1.873 9.917 6.601 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.187 7.882 6.039 1.00 0.00 H new ATOM 2143 N PRO A 142 -0.379 5.117 10.817 1.00 0.00 N ATOM 2144 CA PRO A 142 -0.384 3.719 11.260 1.00 0.00 C ATOM 2145 C PRO A 142 1.003 3.052 11.272 1.00 0.00 C ATOM 2146 O PRO A 142 1.154 1.990 11.877 1.00 0.00 O ATOM 2147 CB PRO A 142 -1.318 3.002 10.280 1.00 0.00 C ATOM 2148 CG PRO A 142 -1.092 3.768 8.981 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.916 5.206 9.464 1.00 0.00 C ATOM 0 HA PRO A 142 -0.712 3.661 12.298 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -1.065 1.947 10.177 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -2.358 3.050 10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -0.211 3.410 8.448 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.938 3.670 8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -0.238 5.756 8.811 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.867 5.738 9.457 1.00 0.00 H new ATOM 2157 N CYS A 143 2.012 3.655 10.630 1.00 0.00 N ATOM 2158 CA CYS A 143 3.387 3.149 10.537 1.00 0.00 C ATOM 2159 C CYS A 143 4.349 3.951 11.443 1.00 0.00 C ATOM 2160 O CYS A 143 4.118 5.133 11.725 1.00 0.00 O ATOM 2161 CB CYS A 143 3.773 3.105 9.039 1.00 0.00 C ATOM 2162 SG CYS A 143 5.205 4.130 8.624 1.00 0.00 S ATOM 0 H CYS A 143 1.888 4.542 10.143 1.00 0.00 H new ATOM 0 HA CYS A 143 3.466 2.133 10.924 1.00 0.00 H new ATOM 0 HB2 CYS A 143 3.983 2.073 8.758 1.00 0.00 H new ATOM 0 HB3 CYS A 143 2.920 3.431 8.444 1.00 0.00 H new ATOM 0 HG CYS A 143 6.282 3.402 8.649 1.00 0.00 H new ATOM 2168 N GLY A 144 5.434 3.311 11.902 1.00 0.00 N ATOM 2169 CA GLY A 144 6.472 3.940 12.741 1.00 0.00 C ATOM 2170 C GLY A 144 7.630 4.548 11.941 1.00 0.00 C ATOM 2171 O GLY A 144 8.180 5.582 12.320 1.00 0.00 O ATOM 0 H GLY A 144 5.621 2.329 11.700 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.012 4.721 13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 144 6.870 3.195 13.430 1.00 0.00 H new ATOM 2175 N ASN A 145 7.994 3.926 10.819 1.00 0.00 N ATOM 2176 CA ASN A 145 9.085 4.324 9.921 1.00 0.00 C ATOM 2177 C ASN A 145 8.620 5.330 8.855 1.00 0.00 C ATOM 2178 O ASN A 145 8.374 4.971 7.703 1.00 0.00 O ATOM 2179 CB ASN A 145 9.766 3.089 9.293 1.00 0.00 C ATOM 2180 CG ASN A 145 8.842 1.939 8.895 1.00 0.00 C ATOM 2181 OD1 ASN A 145 7.630 2.073 8.769 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.395 0.756 8.716 1.00 0.00 N ATOM 0 H ASN A 145 7.513 3.088 10.493 1.00 0.00 H new ATOM 0 HA ASN A 145 9.832 4.839 10.525 1.00 0.00 H new ATOM 0 HB2 ASN A 145 10.312 3.412 8.407 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.503 2.708 10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 145 8.815 -0.047 8.473 1.00 0.00 H new ATOM 0 HD22 ASN A 145 10.403 0.643 8.821 1.00 0.00 H new ATOM 2189 N VAL A 146 8.538 6.602 9.252 1.00 0.00 N ATOM 2190 CA VAL A 146 8.154 7.737 8.394 1.00 0.00 C ATOM 2191 C VAL A 146 9.377 8.577 8.003 1.00 0.00 C ATOM 2192 O VAL A 146 10.296 8.789 8.792 1.00 0.00 O ATOM 2193 CB VAL A 146 7.045 8.589 9.055 1.00 0.00 C ATOM 2194 CG1 VAL A 146 6.771 9.917 8.339 1.00 0.00 C ATOM 2195 CG2 VAL A 146 5.736 7.807 9.070 1.00 0.00 C ATOM 0 H VAL A 146 8.743 6.885 10.210 1.00 0.00 H new ATOM 0 HA VAL A 146 7.737 7.335 7.470 1.00 0.00 H new ATOM 0 HB VAL A 146 7.408 8.813 10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 146 5.982 10.456 8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.679 10.520 8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 146 6.458 9.720 7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 146 4.957 8.410 9.536 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.445 7.565 8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 146 5.869 6.885 9.637 1.00 0.00 H new ATOM 2205 N ASN A 147 9.350 9.045 6.756 1.00 0.00 N ATOM 2206 CA ASN A 147 10.379 9.791 6.037 1.00 0.00 C ATOM 2207 C ASN A 147 9.764 11.051 5.384 1.00 0.00 C ATOM 2208 O ASN A 147 8.539 11.178 5.277 1.00 0.00 O ATOM 2209 CB ASN A 147 10.983 8.817 5.013 1.00 0.00 C ATOM 2210 CG ASN A 147 12.234 9.310 4.289 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.919 10.233 4.714 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.573 8.676 3.181 1.00 0.00 N ATOM 0 H ASN A 147 8.529 8.897 6.169 1.00 0.00 H new ATOM 0 HA ASN A 147 11.165 10.157 6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.225 7.885 5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.222 8.584 4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.412 8.953 2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 147 11.996 7.909 2.835 1.00 0.00 H new ATOM 2219 N TYR A 148 10.610 11.993 4.954 1.00 0.00 N ATOM 2220 CA TYR A 148 10.208 13.342 4.537 1.00 0.00 C ATOM 2221 C TYR A 148 10.791 13.749 3.171 1.00 0.00 C ATOM 2222 O TYR A 148 11.967 13.509 2.879 1.00 0.00 O ATOM 2223 CB TYR A 148 10.608 14.335 5.641 1.00 0.00 C ATOM 2224 CG TYR A 148 10.113 13.939 7.023 1.00 0.00 C ATOM 2225 CD1 TYR A 148 8.737 13.989 7.316 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.014 13.447 7.989 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.261 13.539 8.561 1.00 0.00 C ATOM 2228 CE2 TYR A 148 10.544 13.001 9.240 1.00 0.00 C ATOM 2229 CZ TYR A 148 9.161 13.042 9.528 1.00 0.00 C ATOM 2230 OH TYR A 148 8.686 12.603 10.727 1.00 0.00 O ATOM 0 H TYR A 148 11.615 11.836 4.884 1.00 0.00 H new ATOM 0 HA TYR A 148 9.127 13.353 4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.694 14.422 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 148 10.215 15.321 5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.044 14.374 6.582 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.071 13.412 7.769 1.00 0.00 H new ATOM 0 HE1 TYR A 148 7.204 13.574 8.778 1.00 0.00 H new ATOM 0 HE2 TYR A 148 11.239 12.628 9.978 1.00 0.00 H new ATOM 0 HH TYR A 148 9.432 12.292 11.280 1.00 0.00 H new