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 135:sc= 0.0487 USER MOD Set 1.2: A 102 GLN : amide:sc= 0.519 K(o=1.5,f=-3.4) USER MOD Set 1.3: A 147 ASN : amide:sc= 0.883 K(o=1.5,f=-2.8!) USER MOD Set 2.1: A 76 SER OG : rot -125:sc= 0.355 USER MOD Set 2.2: A 80 CYS SG : rot -85:sc= 0.939 USER MOD Set 2.3: A 82 THR OG1 : rot 135:sc= 1.09 USER MOD Single : A 19 THR OG1 : rot 147:sc= 0.415 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.107) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.231 K(o=0.23,f=0.88) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 148:sc=-0.00348 (180deg=-0.0646) USER MOD Single : A 41 THR OG1 : rot -159:sc= 1.1 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.98 K(o=0.98,f=-3!) USER MOD Single : A 59 TYR OH : rot 155:sc= 0.35 USER MOD Single : A 61 CYS SG : rot 174:sc= -0.736 USER MOD Single : A 67 TYR OH : rot -152:sc= 0.39 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0201 K(o=-0.02,f=-2.4!) USER MOD Single : A 73 SER OG : rot 31:sc= 0.00481 USER MOD Single : A 81 GLN : amide:sc= 0.792 K(o=0.79,f=-0.082) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot -160:sc=-0.00697 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 105 MET CE :methyl 151:sc= -0.0468 (180deg=-1.1) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 CYS SG : rot 180:sc= -0.1 USER MOD Single : A 145 ASN : amide:sc= 0.785 K(o=0.79,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.170 -0.011 -11.169 1.00 0.00 N ATOM 234 CA THR A 19 6.385 1.180 -10.771 1.00 0.00 C ATOM 235 C THR A 19 4.883 0.944 -10.598 1.00 0.00 C ATOM 236 O THR A 19 4.263 1.609 -9.771 1.00 0.00 O ATOM 237 CB THR A 19 6.697 2.376 -11.684 1.00 0.00 C ATOM 238 OG1 THR A 19 5.904 3.480 -11.307 1.00 0.00 O ATOM 239 CG2 THR A 19 6.441 2.073 -13.157 1.00 0.00 C ATOM 0 HA THR A 19 6.719 1.422 -9.762 1.00 0.00 H new ATOM 0 HB THR A 19 7.758 2.597 -11.566 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.404 4.309 -11.459 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.678 2.952 -13.756 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.069 1.240 -13.472 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.393 1.810 -13.298 1.00 0.00 H new ATOM 247 N LYS A 20 4.287 -0.033 -11.286 1.00 0.00 N ATOM 248 CA LYS A 20 2.910 -0.460 -11.010 1.00 0.00 C ATOM 249 C LYS A 20 2.879 -1.423 -9.812 1.00 0.00 C ATOM 250 O LYS A 20 3.590 -2.432 -9.800 1.00 0.00 O ATOM 251 CB LYS A 20 2.266 -1.100 -12.253 1.00 0.00 C ATOM 252 CG LYS A 20 2.052 -0.082 -13.382 1.00 0.00 C ATOM 253 CD LYS A 20 1.320 -0.734 -14.561 1.00 0.00 C ATOM 254 CE LYS A 20 1.106 0.296 -15.678 1.00 0.00 C ATOM 255 NZ LYS A 20 0.368 -0.286 -16.830 1.00 0.00 N ATOM 0 H LYS A 20 4.738 -0.547 -12.043 1.00 0.00 H new ATOM 0 HA LYS A 20 2.323 0.423 -10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.900 -1.911 -12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.308 -1.542 -11.978 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.475 0.765 -13.011 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.014 0.309 -13.715 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.899 -1.577 -14.938 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.360 -1.129 -14.230 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.553 1.149 -15.285 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.072 0.671 -16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.243 0.440 -17.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.908 -1.084 -17.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.564 -0.621 -16.512 1.00 0.00 H new ATOM 269 N PHE A 21 2.024 -1.139 -8.830 1.00 0.00 N ATOM 270 CA PHE A 21 1.863 -1.928 -7.608 1.00 0.00 C ATOM 271 C PHE A 21 0.377 -2.144 -7.320 1.00 0.00 C ATOM 272 O PHE A 21 -0.382 -1.188 -7.171 1.00 0.00 O ATOM 273 CB PHE A 21 2.553 -1.212 -6.432 1.00 0.00 C ATOM 274 CG PHE A 21 4.046 -1.001 -6.598 1.00 0.00 C ATOM 275 CD1 PHE A 21 4.942 -2.060 -6.353 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.545 0.256 -6.987 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.329 -1.857 -6.482 1.00 0.00 C ATOM 278 CE2 PHE A 21 5.931 0.456 -7.122 1.00 0.00 C ATOM 279 CZ PHE A 21 6.824 -0.598 -6.862 1.00 0.00 C ATOM 0 H PHE A 21 1.405 -0.329 -8.863 1.00 0.00 H new ATOM 0 HA PHE A 21 2.331 -2.904 -7.740 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.078 -0.242 -6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.381 -1.789 -5.523 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.564 -3.030 -6.066 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.862 1.069 -7.182 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.013 -2.670 -6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.309 1.421 -7.426 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.888 -0.440 -6.954 1.00 0.00 H new ATOM 289 N LYS A 22 -0.050 -3.402 -7.211 1.00 0.00 N ATOM 290 CA LYS A 22 -1.395 -3.734 -6.723 1.00 0.00 C ATOM 291 C LYS A 22 -1.498 -3.358 -5.229 1.00 0.00 C ATOM 292 O LYS A 22 -0.682 -3.804 -4.419 1.00 0.00 O ATOM 293 CB LYS A 22 -1.680 -5.231 -6.969 1.00 0.00 C ATOM 294 CG LYS A 22 -2.216 -5.567 -8.374 1.00 0.00 C ATOM 295 CD LYS A 22 -1.331 -5.095 -9.541 1.00 0.00 C ATOM 296 CE LYS A 22 -1.713 -5.721 -10.895 1.00 0.00 C ATOM 297 NZ LYS A 22 -3.131 -5.465 -11.276 1.00 0.00 N ATOM 0 H LYS A 22 0.517 -4.214 -7.455 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.151 -3.165 -7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.761 -5.793 -6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.402 -5.575 -6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.343 -6.647 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.205 -5.121 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.397 -4.010 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.292 -5.336 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.057 -5.325 -11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.543 -6.797 -10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.656 -6.363 -11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.564 -4.817 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.164 -5.036 -12.223 1.00 0.00 H new ATOM 311 N VAL A 23 -2.479 -2.531 -4.869 1.00 0.00 N ATOM 312 CA VAL A 23 -2.695 -2.006 -3.504 1.00 0.00 C ATOM 313 C VAL A 23 -4.162 -2.165 -3.104 1.00 0.00 C ATOM 314 O VAL A 23 -5.030 -2.203 -3.975 1.00 0.00 O ATOM 315 CB VAL A 23 -2.266 -0.524 -3.363 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.750 -0.340 -3.551 1.00 0.00 C ATOM 317 CG2 VAL A 23 -3.035 0.422 -4.301 1.00 0.00 C ATOM 0 H VAL A 23 -3.173 -2.192 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.065 -2.590 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.525 -0.248 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.495 0.714 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.217 -0.921 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.462 -0.683 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.687 1.444 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.863 0.127 -5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.101 0.366 -4.080 1.00 0.00 H new ATOM 327 N THR A 24 -4.441 -2.233 -1.798 1.00 0.00 N ATOM 328 CA THR A 24 -5.807 -2.282 -1.248 1.00 0.00 C ATOM 329 C THR A 24 -5.902 -1.347 -0.057 1.00 0.00 C ATOM 330 O THR A 24 -5.174 -1.513 0.916 1.00 0.00 O ATOM 331 CB THR A 24 -6.188 -3.721 -0.878 1.00 0.00 C ATOM 332 OG1 THR A 24 -6.176 -4.501 -2.053 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.598 -3.822 -0.298 1.00 0.00 C ATOM 0 H THR A 24 -3.717 -2.256 -1.080 1.00 0.00 H new ATOM 0 HA THR A 24 -6.519 -1.948 -2.003 1.00 0.00 H new ATOM 0 HB THR A 24 -5.472 -4.064 -0.131 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.416 -5.426 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.817 -4.861 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.664 -3.215 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.320 -3.462 -1.031 1.00 0.00 H new ATOM 341 N ASN A 25 -6.782 -0.350 -0.143 1.00 0.00 N ATOM 342 CA ASN A 25 -6.990 0.657 0.903 1.00 0.00 C ATOM 343 C ASN A 25 -7.649 0.040 2.151 1.00 0.00 C ATOM 344 O ASN A 25 -8.502 -0.844 2.013 1.00 0.00 O ATOM 345 CB ASN A 25 -7.846 1.792 0.316 1.00 0.00 C ATOM 346 CG ASN A 25 -7.972 2.978 1.264 1.00 0.00 C ATOM 347 OD1 ASN A 25 -9.026 3.233 1.827 1.00 0.00 O ATOM 348 ND2 ASN A 25 -6.908 3.729 1.482 1.00 0.00 N ATOM 0 H ASN A 25 -7.383 -0.215 -0.956 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.029 1.055 1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.405 2.127 -0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.840 1.410 0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.966 4.522 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.028 3.516 1.012 1.00 0.00 H new ATOM 355 N VAL A 26 -7.275 0.499 3.354 1.00 0.00 N ATOM 356 CA VAL A 26 -7.765 -0.080 4.621 1.00 0.00 C ATOM 357 C VAL A 26 -8.155 0.962 5.673 1.00 0.00 C ATOM 358 O VAL A 26 -7.573 2.045 5.738 1.00 0.00 O ATOM 359 CB VAL A 26 -6.765 -1.088 5.241 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.519 -2.302 4.333 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.401 -0.478 5.611 1.00 0.00 C ATOM 0 H VAL A 26 -6.628 1.278 3.480 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.673 -0.610 4.333 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.256 -1.402 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.811 -2.978 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.460 -2.824 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.111 -1.967 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.761 -1.250 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.930 -0.070 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.545 0.319 6.341 1.00 0.00 H new ATOM 371 N ASP A 27 -9.132 0.602 6.515 1.00 0.00 N ATOM 372 CA ASP A 27 -9.526 1.342 7.721 1.00 0.00 C ATOM 373 C ASP A 27 -8.428 1.325 8.808 1.00 0.00 C ATOM 374 O ASP A 27 -7.431 0.607 8.707 1.00 0.00 O ATOM 375 CB ASP A 27 -10.815 0.746 8.327 1.00 0.00 C ATOM 376 CG ASP A 27 -11.971 0.502 7.348 1.00 0.00 C ATOM 377 OD1 ASP A 27 -11.896 -0.496 6.599 1.00 0.00 O ATOM 378 OD2 ASP A 27 -12.981 1.245 7.398 1.00 0.00 O ATOM 0 H ASP A 27 -9.689 -0.240 6.371 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.691 2.373 7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.564 -0.201 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.166 1.415 9.113 1.00 0.00 H new ATOM 383 N ASP A 28 -8.662 2.042 9.915 1.00 0.00 N ATOM 384 CA ASP A 28 -7.843 1.971 11.137 1.00 0.00 C ATOM 385 C ASP A 28 -7.808 0.555 11.763 1.00 0.00 C ATOM 386 O ASP A 28 -6.856 0.205 12.461 1.00 0.00 O ATOM 387 CB ASP A 28 -8.387 3.002 12.138 1.00 0.00 C ATOM 388 CG ASP A 28 -7.556 3.077 13.430 1.00 0.00 C ATOM 389 OD1 ASP A 28 -6.414 3.590 13.381 1.00 0.00 O ATOM 390 OD2 ASP A 28 -8.065 2.653 14.496 1.00 0.00 O ATOM 0 H ASP A 28 -9.438 2.699 9.990 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.810 2.198 10.874 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.406 3.984 11.666 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.417 2.749 12.389 1.00 0.00 H new ATOM 395 N GLU A 29 -8.813 -0.276 11.464 1.00 0.00 N ATOM 396 CA GLU A 29 -8.907 -1.688 11.866 1.00 0.00 C ATOM 397 C GLU A 29 -8.271 -2.658 10.842 1.00 0.00 C ATOM 398 O GLU A 29 -8.278 -3.871 11.056 1.00 0.00 O ATOM 399 CB GLU A 29 -10.380 -2.057 12.123 1.00 0.00 C ATOM 400 CG GLU A 29 -10.990 -1.272 13.293 1.00 0.00 C ATOM 401 CD GLU A 29 -12.409 -1.768 13.608 1.00 0.00 C ATOM 402 OE1 GLU A 29 -13.382 -1.260 13.001 1.00 0.00 O ATOM 403 OE2 GLU A 29 -12.565 -2.666 14.471 1.00 0.00 O ATOM 0 H GLU A 29 -9.616 0.027 10.913 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.331 -1.800 12.785 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.961 -1.867 11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.452 -3.125 12.330 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.359 -1.379 14.176 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.018 -0.210 13.048 1.00 0.00 H new ATOM 410 N GLY A 30 -7.726 -2.155 9.725 1.00 0.00 N ATOM 411 CA GLY A 30 -6.981 -2.943 8.728 1.00 0.00 C ATOM 412 C GLY A 30 -7.847 -3.733 7.738 1.00 0.00 C ATOM 413 O GLY A 30 -7.311 -4.541 6.983 1.00 0.00 O ATOM 0 H GLY A 30 -7.792 -1.166 9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.336 -2.269 8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.330 -3.641 9.254 1.00 0.00 H new ATOM 417 N VAL A 31 -9.163 -3.515 7.730 1.00 0.00 N ATOM 418 CA VAL A 31 -10.132 -4.227 6.872 1.00 0.00 C ATOM 419 C VAL A 31 -10.016 -3.740 5.422 1.00 0.00 C ATOM 420 O VAL A 31 -9.950 -2.539 5.172 1.00 0.00 O ATOM 421 CB VAL A 31 -11.589 -4.057 7.378 1.00 0.00 C ATOM 422 CG1 VAL A 31 -12.574 -4.925 6.574 1.00 0.00 C ATOM 423 CG2 VAL A 31 -11.714 -4.429 8.866 1.00 0.00 C ATOM 0 H VAL A 31 -9.604 -2.821 8.334 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.890 -5.289 6.917 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.840 -3.005 7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.584 -4.779 6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.539 -4.636 5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.297 -5.975 6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.747 -4.299 9.188 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.418 -5.469 9.007 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.065 -3.784 9.458 1.00 0.00 H new ATOM 433 N GLU A 32 -9.987 -4.674 4.469 1.00 0.00 N ATOM 434 CA GLU A 32 -9.868 -4.398 3.032 1.00 0.00 C ATOM 435 C GLU A 32 -11.146 -3.743 2.476 1.00 0.00 C ATOM 436 O GLU A 32 -12.221 -4.349 2.491 1.00 0.00 O ATOM 437 CB GLU A 32 -9.565 -5.709 2.287 1.00 0.00 C ATOM 438 CG GLU A 32 -8.169 -6.258 2.610 1.00 0.00 C ATOM 439 CD GLU A 32 -7.967 -7.643 1.975 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.317 -8.660 2.621 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.457 -7.722 0.833 1.00 0.00 O ATOM 0 H GLU A 32 -10.047 -5.670 4.679 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.050 -3.694 2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.315 -6.455 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.646 -5.540 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.408 -5.570 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.041 -6.326 3.690 1.00 0.00 H new ATOM 448 N LEU A 33 -11.027 -2.507 1.973 1.00 0.00 N ATOM 449 CA LEU A 33 -12.146 -1.717 1.435 1.00 0.00 C ATOM 450 C LEU A 33 -12.300 -1.886 -0.079 1.00 0.00 C ATOM 451 O LEU A 33 -13.361 -2.285 -0.559 1.00 0.00 O ATOM 452 CB LEU A 33 -11.931 -0.233 1.788 1.00 0.00 C ATOM 453 CG LEU A 33 -12.098 0.083 3.284 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.595 1.504 3.557 1.00 0.00 C ATOM 455 CD2 LEU A 33 -13.570 -0.054 3.701 1.00 0.00 C ATOM 0 H LEU A 33 -10.133 -2.017 1.927 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.067 -2.081 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.930 0.064 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.637 0.372 1.218 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.514 -0.626 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.711 1.734 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.542 1.576 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.173 2.214 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.670 0.173 4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.178 0.641 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.908 -1.074 3.515 1.00 0.00 H new ATOM 467 N GLY A 34 -11.237 -1.570 -0.824 1.00 0.00 N ATOM 468 CA GLY A 34 -11.189 -1.651 -2.287 1.00 0.00 C ATOM 469 C GLY A 34 -9.767 -1.712 -2.829 1.00 0.00 C ATOM 470 O GLY A 34 -8.864 -1.056 -2.307 1.00 0.00 O ATOM 0 H GLY A 34 -10.362 -1.242 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.736 -2.535 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.698 -0.785 -2.711 1.00 0.00 H new ATOM 474 N SER A 35 -9.573 -2.497 -3.884 1.00 0.00 N ATOM 475 CA SER A 35 -8.286 -2.686 -4.559 1.00 0.00 C ATOM 476 C SER A 35 -8.084 -1.728 -5.749 1.00 0.00 C ATOM 477 O SER A 35 -9.036 -1.183 -6.318 1.00 0.00 O ATOM 478 CB SER A 35 -8.136 -4.156 -4.982 1.00 0.00 C ATOM 479 OG SER A 35 -9.205 -4.581 -5.821 1.00 0.00 O ATOM 0 H SER A 35 -10.327 -3.037 -4.308 1.00 0.00 H new ATOM 0 HA SER A 35 -7.499 -2.437 -3.848 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.189 -4.288 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.099 -4.787 -4.094 1.00 0.00 H new ATOM 0 HG SER A 35 -9.072 -5.520 -6.070 1.00 0.00 H new ATOM 485 N GLY A 36 -6.817 -1.493 -6.105 1.00 0.00 N ATOM 486 CA GLY A 36 -6.386 -0.582 -7.167 1.00 0.00 C ATOM 487 C GLY A 36 -4.942 -0.802 -7.606 1.00 0.00 C ATOM 488 O GLY A 36 -4.200 -1.566 -6.977 1.00 0.00 O ATOM 0 H GLY A 36 -6.033 -1.952 -5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.042 -0.704 -8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.500 0.446 -6.822 1.00 0.00 H new ATOM 492 N VAL A 37 -4.539 -0.105 -8.670 1.00 0.00 N ATOM 493 CA VAL A 37 -3.162 -0.123 -9.195 1.00 0.00 C ATOM 494 C VAL A 37 -2.511 1.234 -8.938 1.00 0.00 C ATOM 495 O VAL A 37 -2.843 2.232 -9.575 1.00 0.00 O ATOM 496 CB VAL A 37 -3.107 -0.493 -10.696 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.651 -0.564 -11.196 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.780 -1.852 -10.948 1.00 0.00 C ATOM 0 H VAL A 37 -5.165 0.498 -9.203 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.607 -0.901 -8.671 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.639 0.287 -11.240 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.642 -0.826 -12.254 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.171 0.405 -11.058 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.109 -1.321 -10.630 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.729 -2.092 -12.010 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.265 -2.624 -10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.823 -1.805 -10.636 1.00 0.00 H new ATOM 508 N MET A 38 -1.571 1.257 -7.997 1.00 0.00 N ATOM 509 CA MET A 38 -0.746 2.418 -7.670 1.00 0.00 C ATOM 510 C MET A 38 0.405 2.541 -8.675 1.00 0.00 C ATOM 511 O MET A 38 0.975 1.539 -9.103 1.00 0.00 O ATOM 512 CB MET A 38 -0.257 2.281 -6.222 1.00 0.00 C ATOM 513 CG MET A 38 0.479 3.527 -5.723 1.00 0.00 C ATOM 514 SD MET A 38 0.835 3.502 -3.948 1.00 0.00 S ATOM 515 CE MET A 38 -0.775 4.015 -3.294 1.00 0.00 C ATOM 0 H MET A 38 -1.355 0.442 -7.422 1.00 0.00 H new ATOM 0 HA MET A 38 -1.325 3.339 -7.744 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.110 2.084 -5.573 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.406 1.419 -6.147 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.416 3.628 -6.271 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.121 4.408 -5.952 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.943 3.541 -2.327 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.791 5.098 -3.175 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.561 3.715 -3.986 1.00 0.00 H new ATOM 525 N GLU A 39 0.721 3.773 -9.059 1.00 0.00 N ATOM 526 CA GLU A 39 1.688 4.126 -10.099 1.00 0.00 C ATOM 527 C GLU A 39 2.409 5.430 -9.725 1.00 0.00 C ATOM 528 O GLU A 39 1.780 6.409 -9.315 1.00 0.00 O ATOM 529 CB GLU A 39 0.936 4.228 -11.437 1.00 0.00 C ATOM 530 CG GLU A 39 1.808 4.684 -12.611 1.00 0.00 C ATOM 531 CD GLU A 39 1.015 4.608 -13.923 1.00 0.00 C ATOM 532 OE1 GLU A 39 0.032 5.370 -14.080 1.00 0.00 O ATOM 533 OE2 GLU A 39 1.361 3.779 -14.797 1.00 0.00 O ATOM 0 H GLU A 39 0.290 4.594 -8.634 1.00 0.00 H new ATOM 0 HA GLU A 39 2.459 3.362 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.505 3.255 -11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.106 4.925 -11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.151 5.705 -12.444 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.697 4.057 -12.678 1.00 0.00 H new ATOM 540 N LEU A 40 3.739 5.439 -9.839 1.00 0.00 N ATOM 541 CA LEU A 40 4.601 6.553 -9.435 1.00 0.00 C ATOM 542 C LEU A 40 5.359 7.085 -10.666 1.00 0.00 C ATOM 543 O LEU A 40 6.141 6.352 -11.281 1.00 0.00 O ATOM 544 CB LEU A 40 5.565 6.071 -8.328 1.00 0.00 C ATOM 545 CG LEU A 40 5.018 6.092 -6.883 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.931 5.053 -6.578 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.170 5.867 -5.898 1.00 0.00 C ATOM 0 H LEU A 40 4.260 4.652 -10.225 1.00 0.00 H new ATOM 0 HA LEU A 40 4.006 7.372 -9.031 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.872 5.052 -8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.462 6.690 -8.363 1.00 0.00 H new ATOM 0 HG LEU A 40 4.553 7.072 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.615 5.151 -5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.076 5.217 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.328 4.052 -6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.785 5.882 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.635 4.901 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.911 6.658 -6.018 1.00 0.00 H new ATOM 559 N THR A 41 5.114 8.348 -11.044 1.00 0.00 N ATOM 560 CA THR A 41 5.663 8.976 -12.264 1.00 0.00 C ATOM 561 C THR A 41 6.804 9.930 -11.919 1.00 0.00 C ATOM 562 O THR A 41 7.049 10.232 -10.756 1.00 0.00 O ATOM 563 CB THR A 41 4.558 9.687 -13.068 1.00 0.00 C ATOM 564 OG1 THR A 41 4.179 10.875 -12.409 1.00 0.00 O ATOM 565 CG2 THR A 41 3.321 8.809 -13.281 1.00 0.00 C ATOM 0 H THR A 41 4.519 8.976 -10.504 1.00 0.00 H new ATOM 0 HA THR A 41 6.070 8.187 -12.896 1.00 0.00 H new ATOM 0 HB THR A 41 4.973 9.910 -14.051 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.287 11.146 -12.710 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.576 9.362 -13.853 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.603 7.909 -13.827 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.902 8.530 -12.314 1.00 0.00 H new ATOM 573 N GLN A 42 7.477 10.482 -12.928 1.00 0.00 N ATOM 574 CA GLN A 42 8.450 11.566 -12.722 1.00 0.00 C ATOM 575 C GLN A 42 7.778 12.911 -12.344 1.00 0.00 C ATOM 576 O GLN A 42 8.458 13.936 -12.268 1.00 0.00 O ATOM 577 CB GLN A 42 9.373 11.681 -13.951 1.00 0.00 C ATOM 578 CG GLN A 42 10.272 10.440 -14.120 1.00 0.00 C ATOM 579 CD GLN A 42 11.277 10.549 -15.274 1.00 0.00 C ATOM 580 OE1 GLN A 42 11.343 11.519 -16.020 1.00 0.00 O ATOM 581 NE2 GLN A 42 12.111 9.545 -15.467 1.00 0.00 N ATOM 0 H GLN A 42 7.369 10.198 -13.902 1.00 0.00 H new ATOM 0 HA GLN A 42 9.066 11.311 -11.860 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.767 11.814 -14.847 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.997 12.569 -13.853 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.818 10.270 -13.192 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.641 9.566 -14.283 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.074 8.727 -14.858 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.792 9.587 -16.225 1.00 0.00 H new ATOM 590 N SER A 43 6.465 12.926 -12.073 1.00 0.00 N ATOM 591 CA SER A 43 5.695 14.123 -11.712 1.00 0.00 C ATOM 592 C SER A 43 4.864 13.963 -10.419 1.00 0.00 C ATOM 593 O SER A 43 4.832 14.903 -9.620 1.00 0.00 O ATOM 594 CB SER A 43 4.783 14.528 -12.881 1.00 0.00 C ATOM 595 OG SER A 43 5.521 14.882 -14.047 1.00 0.00 O ATOM 0 H SER A 43 5.894 12.081 -12.100 1.00 0.00 H new ATOM 0 HA SER A 43 6.423 14.909 -11.508 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.110 13.703 -13.116 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.161 15.370 -12.578 1.00 0.00 H new ATOM 0 HG SER A 43 4.901 15.130 -14.764 1.00 0.00 H new ATOM 601 N GLU A 44 4.214 12.814 -10.162 1.00 0.00 N ATOM 602 CA GLU A 44 3.331 12.621 -9.006 1.00 0.00 C ATOM 603 C GLU A 44 3.024 11.143 -8.684 1.00 0.00 C ATOM 604 O GLU A 44 3.331 10.222 -9.447 1.00 0.00 O ATOM 605 CB GLU A 44 2.017 13.396 -9.220 1.00 0.00 C ATOM 606 CG GLU A 44 1.137 12.861 -10.359 1.00 0.00 C ATOM 607 CD GLU A 44 1.562 13.307 -11.764 1.00 0.00 C ATOM 608 OE1 GLU A 44 1.672 14.530 -12.005 1.00 0.00 O ATOM 609 OE2 GLU A 44 1.669 12.441 -12.663 1.00 0.00 O ATOM 0 H GLU A 44 4.290 11.989 -10.757 1.00 0.00 H new ATOM 0 HA GLU A 44 3.872 13.009 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.443 13.374 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.255 14.440 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.142 11.772 -10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.110 13.181 -10.187 1.00 0.00 H new ATOM 616 N LEU A 45 2.352 10.928 -7.548 1.00 0.00 N ATOM 617 CA LEU A 45 1.761 9.650 -7.158 1.00 0.00 C ATOM 618 C LEU A 45 0.379 9.547 -7.822 1.00 0.00 C ATOM 619 O LEU A 45 -0.414 10.485 -7.722 1.00 0.00 O ATOM 620 CB LEU A 45 1.667 9.592 -5.613 1.00 0.00 C ATOM 621 CG LEU A 45 2.038 8.228 -5.004 1.00 0.00 C ATOM 622 CD1 LEU A 45 1.954 8.287 -3.475 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.145 7.094 -5.512 1.00 0.00 C ATOM 0 H LEU A 45 2.202 11.662 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 45 2.369 8.807 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.323 10.354 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.650 9.846 -5.313 1.00 0.00 H new ATOM 0 HG LEU A 45 3.060 8.015 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.219 7.315 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.645 9.043 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.938 8.545 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.451 6.155 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.107 7.304 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.240 7.013 -6.595 1.00 0.00 H new ATOM 635 N VAL A 46 0.084 8.429 -8.481 1.00 0.00 N ATOM 636 CA VAL A 46 -1.188 8.138 -9.164 1.00 0.00 C ATOM 637 C VAL A 46 -1.741 6.805 -8.643 1.00 0.00 C ATOM 638 O VAL A 46 -0.979 5.909 -8.281 1.00 0.00 O ATOM 639 CB VAL A 46 -1.003 8.077 -10.704 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.357 8.007 -11.439 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.227 9.291 -11.251 1.00 0.00 C ATOM 0 H VAL A 46 0.751 7.662 -8.561 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.892 8.942 -8.950 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.430 7.169 -10.891 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.185 7.966 -12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.897 7.114 -11.123 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.947 8.892 -11.200 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.125 9.200 -12.332 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.769 10.206 -11.013 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.762 9.326 -10.795 1.00 0.00 H new ATOM 651 N LEU A 47 -3.066 6.661 -8.597 1.00 0.00 N ATOM 652 CA LEU A 47 -3.743 5.443 -8.162 1.00 0.00 C ATOM 653 C LEU A 47 -5.018 5.240 -8.986 1.00 0.00 C ATOM 654 O LEU A 47 -5.957 6.034 -8.921 1.00 0.00 O ATOM 655 CB LEU A 47 -4.005 5.522 -6.642 1.00 0.00 C ATOM 656 CG LEU A 47 -3.962 4.176 -5.893 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.500 4.360 -4.470 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.745 3.056 -6.583 1.00 0.00 C ATOM 0 H LEU A 47 -3.710 7.404 -8.867 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.117 4.567 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.267 6.190 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.983 5.976 -6.482 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.916 3.868 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.468 3.406 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.886 5.088 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.529 4.717 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.666 2.142 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.793 3.344 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.334 2.884 -7.578 1.00 0.00 H new ATOM 670 N HIS A 48 -5.036 4.162 -9.761 1.00 0.00 N ATOM 671 CA HIS A 48 -6.131 3.756 -10.638 1.00 0.00 C ATOM 672 C HIS A 48 -7.093 2.804 -9.897 1.00 0.00 C ATOM 673 O HIS A 48 -6.653 1.791 -9.335 1.00 0.00 O ATOM 674 CB HIS A 48 -5.514 3.101 -11.883 1.00 0.00 C ATOM 675 CG HIS A 48 -4.553 3.999 -12.625 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.921 5.019 -13.504 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.190 3.951 -12.546 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.768 5.557 -13.936 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.712 4.934 -13.382 1.00 0.00 N ATOM 0 H HIS A 48 -4.249 3.514 -9.798 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.725 4.618 -10.942 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.992 2.192 -11.584 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.314 2.801 -12.560 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.602 3.273 -11.945 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.698 6.378 -14.634 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.730 5.152 -13.552 1.00 0.00 H new ATOM 687 N LEU A 49 -8.391 3.132 -9.892 1.00 0.00 N ATOM 688 CA LEU A 49 -9.449 2.458 -9.122 1.00 0.00 C ATOM 689 C LEU A 49 -10.598 2.022 -10.045 1.00 0.00 C ATOM 690 O LEU A 49 -11.044 2.784 -10.905 1.00 0.00 O ATOM 691 CB LEU A 49 -9.975 3.423 -8.033 1.00 0.00 C ATOM 692 CG LEU A 49 -8.954 3.851 -6.958 1.00 0.00 C ATOM 693 CD1 LEU A 49 -9.572 4.917 -6.044 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.502 2.666 -6.095 1.00 0.00 C ATOM 0 H LEU A 49 -8.750 3.908 -10.448 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.036 1.565 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.354 4.320 -8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.821 2.950 -7.534 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.085 4.252 -7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.845 5.214 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.854 5.787 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.457 4.509 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.784 3.011 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.366 2.232 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.035 1.912 -6.728 1.00 0.00 H new ATOM 786 N ALA A 54 -9.153 8.062 -11.527 1.00 0.00 N ATOM 787 CA ALA A 54 -7.791 7.939 -11.007 1.00 0.00 C ATOM 788 C ALA A 54 -7.538 9.032 -9.951 1.00 0.00 C ATOM 789 O ALA A 54 -7.907 10.192 -10.156 1.00 0.00 O ATOM 790 CB ALA A 54 -6.797 8.015 -12.173 1.00 0.00 C ATOM 0 HA ALA A 54 -7.655 6.976 -10.516 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.780 7.924 -11.791 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.995 7.204 -12.874 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.908 8.971 -12.684 1.00 0.00 H new ATOM 796 N VAL A 55 -6.910 8.672 -8.832 1.00 0.00 N ATOM 797 CA VAL A 55 -6.642 9.568 -7.691 1.00 0.00 C ATOM 798 C VAL A 55 -5.163 9.953 -7.683 1.00 0.00 C ATOM 799 O VAL A 55 -4.305 9.087 -7.833 1.00 0.00 O ATOM 800 CB VAL A 55 -7.059 8.930 -6.348 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.846 9.919 -5.194 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.543 8.525 -6.370 1.00 0.00 C ATOM 0 H VAL A 55 -6.561 7.725 -8.683 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.246 10.468 -7.810 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.440 8.045 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.145 9.453 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.793 10.196 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.448 10.811 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.812 8.078 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.158 9.408 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.711 7.802 -7.168 1.00 0.00 H new ATOM 812 N ARG A 56 -4.871 11.251 -7.535 1.00 0.00 N ATOM 813 CA ARG A 56 -3.534 11.825 -7.719 1.00 0.00 C ATOM 814 C ARG A 56 -3.090 12.673 -6.521 1.00 0.00 C ATOM 815 O ARG A 56 -3.864 13.487 -6.008 1.00 0.00 O ATOM 816 CB ARG A 56 -3.541 12.671 -9.004 1.00 0.00 C ATOM 817 CG ARG A 56 -3.639 11.799 -10.266 1.00 0.00 C ATOM 818 CD ARG A 56 -3.842 12.665 -11.515 1.00 0.00 C ATOM 819 NE ARG A 56 -3.499 11.923 -12.745 1.00 0.00 N ATOM 820 CZ ARG A 56 -2.286 11.790 -13.274 1.00 0.00 C ATOM 821 NH1 ARG A 56 -1.241 12.391 -12.750 1.00 0.00 N ATOM 822 NH2 ARG A 56 -2.105 11.046 -14.342 1.00 0.00 N ATOM 0 H ARG A 56 -5.573 11.945 -7.279 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.816 11.009 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.381 13.365 -8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.632 13.272 -9.048 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.731 11.205 -10.374 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.468 11.099 -10.165 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.879 12.997 -11.565 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.224 13.560 -11.444 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.268 11.468 -13.237 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.351 12.974 -11.920 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.320 12.274 -13.173 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.897 10.567 -14.770 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.172 10.948 -14.743 1.00 0.00 H new ATOM 836 N TRP A 57 -1.818 12.528 -6.136 1.00 0.00 N ATOM 837 CA TRP A 57 -1.163 13.278 -5.059 1.00 0.00 C ATOM 838 C TRP A 57 0.231 13.777 -5.507 1.00 0.00 C ATOM 839 O TRP A 57 1.121 12.949 -5.730 1.00 0.00 O ATOM 840 CB TRP A 57 -1.036 12.391 -3.812 1.00 0.00 C ATOM 841 CG TRP A 57 -2.319 11.871 -3.244 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.179 12.584 -2.483 1.00 0.00 C ATOM 843 CD2 TRP A 57 -2.902 10.538 -3.360 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.244 11.789 -2.117 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.107 10.502 -2.593 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.525 9.343 -4.018 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -4.877 9.340 -2.454 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.302 8.177 -3.896 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.471 8.169 -3.117 1.00 0.00 C ATOM 0 H TRP A 57 -1.192 11.859 -6.584 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.773 14.149 -4.818 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.400 11.541 -4.058 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.522 12.960 -3.037 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.051 13.619 -2.204 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.036 12.113 -1.562 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.629 9.326 -4.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.770 9.344 -1.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.996 7.276 -4.408 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.056 7.266 -3.028 1.00 0.00 H new ATOM 860 N PRO A 58 0.449 15.102 -5.646 1.00 0.00 N ATOM 861 CA PRO A 58 1.749 15.657 -6.013 1.00 0.00 C ATOM 862 C PRO A 58 2.748 15.506 -4.867 1.00 0.00 C ATOM 863 O PRO A 58 2.421 15.755 -3.707 1.00 0.00 O ATOM 864 CB PRO A 58 1.504 17.127 -6.358 1.00 0.00 C ATOM 865 CG PRO A 58 0.226 17.482 -5.604 1.00 0.00 C ATOM 866 CD PRO A 58 -0.540 16.164 -5.506 1.00 0.00 C ATOM 0 HA PRO A 58 2.183 15.129 -6.862 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.339 17.754 -6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.385 17.269 -7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.447 17.887 -4.616 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.352 18.238 -6.136 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.060 16.087 -4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.297 16.096 -6.287 1.00 0.00 H new ATOM 874 N TYR A 59 3.985 15.127 -5.203 1.00 0.00 N ATOM 875 CA TYR A 59 5.054 14.852 -4.231 1.00 0.00 C ATOM 876 C TYR A 59 5.409 16.061 -3.350 1.00 0.00 C ATOM 877 O TYR A 59 5.804 15.896 -2.196 1.00 0.00 O ATOM 878 CB TYR A 59 6.305 14.372 -4.986 1.00 0.00 C ATOM 879 CG TYR A 59 6.186 13.085 -5.787 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.266 12.075 -5.430 1.00 0.00 C ATOM 881 CD2 TYR A 59 7.042 12.886 -6.888 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.204 10.882 -6.167 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.972 11.696 -7.638 1.00 0.00 C ATOM 884 CZ TYR A 59 6.054 10.689 -7.276 1.00 0.00 C ATOM 885 OH TYR A 59 5.970 9.537 -7.990 1.00 0.00 O ATOM 0 H TYR A 59 4.279 15.000 -6.172 1.00 0.00 H new ATOM 0 HA TYR A 59 4.684 14.081 -3.556 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.613 15.166 -5.667 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.108 14.245 -4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.607 12.221 -4.587 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.756 13.650 -7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.504 10.110 -5.884 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.621 11.555 -8.490 1.00 0.00 H new ATOM 0 HH TYR A 59 6.288 9.694 -8.904 1.00 0.00 H new ATOM 895 N LEU A 60 5.202 17.272 -3.873 1.00 0.00 N ATOM 896 CA LEU A 60 5.407 18.535 -3.159 1.00 0.00 C ATOM 897 C LEU A 60 4.323 18.847 -2.115 1.00 0.00 C ATOM 898 O LEU A 60 4.579 19.636 -1.205 1.00 0.00 O ATOM 899 CB LEU A 60 5.686 19.648 -4.183 1.00 0.00 C ATOM 900 CG LEU A 60 4.464 20.118 -4.995 1.00 0.00 C ATOM 901 CD1 LEU A 60 3.828 21.345 -4.331 1.00 0.00 C ATOM 902 CD2 LEU A 60 4.880 20.471 -6.427 1.00 0.00 C ATOM 0 H LEU A 60 4.878 17.405 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 60 6.291 18.449 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.104 20.506 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.450 19.297 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 60 3.737 19.306 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.965 21.668 -4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.508 21.087 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.558 22.153 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.006 20.801 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.620 21.271 -6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.310 19.592 -6.908 1.00 0.00 H new ATOM 914 N CYS A 61 3.159 18.184 -2.185 1.00 0.00 N ATOM 915 CA CYS A 61 2.108 18.253 -1.152 1.00 0.00 C ATOM 916 C CYS A 61 2.106 17.054 -0.178 1.00 0.00 C ATOM 917 O CYS A 61 1.274 17.017 0.733 1.00 0.00 O ATOM 918 CB CYS A 61 0.747 18.445 -1.830 1.00 0.00 C ATOM 919 SG CYS A 61 0.762 19.994 -2.787 1.00 0.00 S ATOM 0 H CYS A 61 2.916 17.577 -2.968 1.00 0.00 H new ATOM 0 HA CYS A 61 2.326 19.114 -0.520 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.533 17.601 -2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.044 18.475 -1.081 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.342 20.095 -3.466 1.00 0.00 H new ATOM 925 N LEU A 62 3.029 16.093 -0.329 1.00 0.00 N ATOM 926 CA LEU A 62 3.230 15.008 0.638 1.00 0.00 C ATOM 927 C LEU A 62 4.106 15.507 1.793 1.00 0.00 C ATOM 928 O LEU A 62 5.310 15.715 1.629 1.00 0.00 O ATOM 929 CB LEU A 62 3.838 13.767 -0.046 1.00 0.00 C ATOM 930 CG LEU A 62 2.959 13.125 -1.139 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.680 11.896 -1.703 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.576 12.710 -0.618 1.00 0.00 C ATOM 0 H LEU A 62 3.659 16.048 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 62 2.265 14.705 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.794 14.047 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.047 13.017 0.717 1.00 0.00 H new ATOM 0 HG LEU A 62 2.800 13.874 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.065 11.436 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.635 12.199 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.854 11.177 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.000 12.264 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.693 11.983 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.051 13.587 -0.240 1.00 0.00 H new ATOM 944 N ARG A 63 3.496 15.700 2.967 1.00 0.00 N ATOM 945 CA ARG A 63 4.177 16.210 4.167 1.00 0.00 C ATOM 946 C ARG A 63 5.087 15.149 4.805 1.00 0.00 C ATOM 947 O ARG A 63 6.186 15.466 5.269 1.00 0.00 O ATOM 948 CB ARG A 63 3.116 16.728 5.151 1.00 0.00 C ATOM 949 CG ARG A 63 3.728 17.321 6.430 1.00 0.00 C ATOM 950 CD ARG A 63 2.687 18.090 7.251 1.00 0.00 C ATOM 951 NE ARG A 63 3.237 18.494 8.558 1.00 0.00 N ATOM 952 CZ ARG A 63 3.247 17.770 9.673 1.00 0.00 C ATOM 953 NH1 ARG A 63 2.724 16.563 9.742 1.00 0.00 N ATOM 954 NH2 ARG A 63 3.800 18.266 10.760 1.00 0.00 N ATOM 0 H ARG A 63 2.506 15.505 3.115 1.00 0.00 H new ATOM 0 HA ARG A 63 4.835 17.032 3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.510 17.488 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.446 15.911 5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.151 16.520 7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.549 17.988 6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.364 18.973 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.805 17.468 7.401 1.00 0.00 H new ATOM 0 HE ARG A 63 3.652 19.424 8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.289 16.148 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.754 16.043 10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.215 19.197 10.741 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.813 17.719 11.621 1.00 0.00 H new ATOM 968 N ARG A 64 4.651 13.886 4.774 1.00 0.00 N ATOM 969 CA ARG A 64 5.388 12.712 5.259 1.00 0.00 C ATOM 970 C ARG A 64 4.855 11.418 4.643 1.00 0.00 C ATOM 971 O ARG A 64 3.714 11.350 4.183 1.00 0.00 O ATOM 972 CB ARG A 64 5.405 12.648 6.801 1.00 0.00 C ATOM 973 CG ARG A 64 4.024 12.557 7.456 1.00 0.00 C ATOM 974 CD ARG A 64 4.153 12.411 8.974 1.00 0.00 C ATOM 975 NE ARG A 64 2.833 12.570 9.600 1.00 0.00 N ATOM 976 CZ ARG A 64 2.491 12.333 10.856 1.00 0.00 C ATOM 977 NH1 ARG A 64 3.330 11.853 11.745 1.00 0.00 N ATOM 978 NH2 ARG A 64 1.260 12.580 11.235 1.00 0.00 N ATOM 0 H ARG A 64 3.736 13.642 4.394 1.00 0.00 H new ATOM 0 HA ARG A 64 6.422 12.821 4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.995 11.784 7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.914 13.533 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.445 13.449 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.478 11.706 7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.568 11.434 9.221 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.844 13.159 9.364 1.00 0.00 H new ATOM 0 HE ARG A 64 2.087 12.905 8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.293 11.646 11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.019 11.687 12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.584 12.949 10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.978 12.403 12.199 1.00 0.00 H new ATOM 992 N TYR A 65 5.685 10.383 4.653 1.00 0.00 N ATOM 993 CA TYR A 65 5.417 9.071 4.061 1.00 0.00 C ATOM 994 C TYR A 65 6.248 7.989 4.758 1.00 0.00 C ATOM 995 O TYR A 65 7.300 8.274 5.334 1.00 0.00 O ATOM 996 CB TYR A 65 5.675 9.115 2.545 1.00 0.00 C ATOM 997 CG TYR A 65 7.067 9.591 2.169 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.142 8.684 2.143 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.291 10.956 1.901 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.449 9.140 1.892 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.593 11.415 1.644 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.680 10.514 1.659 1.00 0.00 C ATOM 1003 OH TYR A 65 10.943 10.978 1.456 1.00 0.00 O ATOM 0 H TYR A 65 6.604 10.433 5.092 1.00 0.00 H new ATOM 0 HA TYR A 65 4.368 8.814 4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.519 8.119 2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.940 9.772 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.963 7.633 2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.462 11.648 1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.273 8.442 1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.763 12.461 1.434 1.00 0.00 H new ATOM 0 HH TYR A 65 10.945 11.601 0.700 1.00 0.00 H new ATOM 1013 N GLY A 66 5.749 6.753 4.755 1.00 0.00 N ATOM 1014 CA GLY A 66 6.298 5.659 5.544 1.00 0.00 C ATOM 1015 C GLY A 66 5.762 4.296 5.146 1.00 0.00 C ATOM 1016 O GLY A 66 4.788 4.158 4.405 1.00 0.00 O ATOM 0 H GLY A 66 4.940 6.483 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.383 5.657 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.077 5.834 6.597 1.00 0.00 H new ATOM 1020 N TYR A 67 6.408 3.267 5.673 1.00 0.00 N ATOM 1021 CA TYR A 67 6.104 1.884 5.329 1.00 0.00 C ATOM 1022 C TYR A 67 6.337 0.941 6.516 1.00 0.00 C ATOM 1023 O TYR A 67 7.174 1.191 7.388 1.00 0.00 O ATOM 1024 CB TYR A 67 6.892 1.493 4.069 1.00 0.00 C ATOM 1025 CG TYR A 67 8.316 1.036 4.316 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.307 1.969 4.676 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.645 -0.328 4.207 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.620 1.544 4.946 1.00 0.00 C ATOM 1029 CE2 TYR A 67 9.954 -0.763 4.489 1.00 0.00 C ATOM 1030 CZ TYR A 67 10.949 0.174 4.853 1.00 0.00 C ATOM 1031 OH TYR A 67 12.225 -0.235 5.092 1.00 0.00 O ATOM 0 H TYR A 67 7.161 3.367 6.354 1.00 0.00 H new ATOM 0 HA TYR A 67 5.043 1.787 5.098 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.355 0.695 3.557 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.913 2.348 3.393 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.057 3.017 4.745 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.892 -1.042 3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.375 2.264 5.224 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.199 -1.813 4.427 1.00 0.00 H new ATOM 0 HH TYR A 67 12.407 -1.054 4.585 1.00 0.00 H new ATOM 1041 N ASP A 68 5.559 -0.131 6.550 1.00 0.00 N ATOM 1042 CA ASP A 68 5.585 -1.168 7.586 1.00 0.00 C ATOM 1043 C ASP A 68 5.371 -2.572 6.984 1.00 0.00 C ATOM 1044 O ASP A 68 5.335 -2.734 5.763 1.00 0.00 O ATOM 1045 CB ASP A 68 4.554 -0.821 8.680 1.00 0.00 C ATOM 1046 CG ASP A 68 5.135 -1.047 10.078 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.291 -2.230 10.463 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.441 -0.044 10.765 1.00 0.00 O ATOM 0 H ASP A 68 4.861 -0.315 5.829 1.00 0.00 H new ATOM 0 HA ASP A 68 6.571 -1.194 8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.245 0.219 8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.662 -1.434 8.550 1.00 0.00 H new ATOM 1053 N SER A 69 5.250 -3.602 7.824 1.00 0.00 N ATOM 1054 CA SER A 69 5.092 -4.996 7.379 1.00 0.00 C ATOM 1055 C SER A 69 3.844 -5.184 6.495 1.00 0.00 C ATOM 1056 O SER A 69 2.706 -5.132 6.967 1.00 0.00 O ATOM 1057 CB SER A 69 5.027 -5.947 8.579 1.00 0.00 C ATOM 1058 OG SER A 69 6.170 -5.812 9.420 1.00 0.00 O ATOM 0 H SER A 69 5.258 -3.496 8.838 1.00 0.00 H new ATOM 0 HA SER A 69 5.968 -5.237 6.777 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.125 -5.744 9.156 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.955 -6.975 8.225 1.00 0.00 H new ATOM 0 HG SER A 69 6.095 -6.431 10.176 1.00 0.00 H new ATOM 1064 N ASN A 70 4.072 -5.377 5.192 1.00 0.00 N ATOM 1065 CA ASN A 70 3.062 -5.449 4.123 1.00 0.00 C ATOM 1066 C ASN A 70 2.138 -4.204 4.044 1.00 0.00 C ATOM 1067 O ASN A 70 0.996 -4.307 3.582 1.00 0.00 O ATOM 1068 CB ASN A 70 2.274 -6.773 4.216 1.00 0.00 C ATOM 1069 CG ASN A 70 3.166 -8.009 4.119 1.00 0.00 C ATOM 1070 OD1 ASN A 70 4.008 -8.127 3.236 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.000 -8.974 5.007 1.00 0.00 N ATOM 0 H ASN A 70 5.019 -5.494 4.831 1.00 0.00 H new ATOM 0 HA ASN A 70 3.602 -5.440 3.176 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.729 -6.799 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.532 -6.804 3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.573 -9.817 4.957 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.299 -8.876 5.742 1.00 0.00 H new ATOM 1078 N LEU A 71 2.600 -3.029 4.500 1.00 0.00 N ATOM 1079 CA LEU A 71 1.794 -1.810 4.663 1.00 0.00 C ATOM 1080 C LEU A 71 2.539 -0.577 4.132 1.00 0.00 C ATOM 1081 O LEU A 71 3.707 -0.366 4.450 1.00 0.00 O ATOM 1082 CB LEU A 71 1.470 -1.645 6.163 1.00 0.00 C ATOM 1083 CG LEU A 71 0.390 -0.587 6.476 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.015 -1.075 6.088 1.00 0.00 C ATOM 1085 CD2 LEU A 71 0.401 -0.255 7.975 1.00 0.00 C ATOM 0 H LEU A 71 3.574 -2.898 4.773 1.00 0.00 H new ATOM 0 HA LEU A 71 0.873 -1.901 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.143 -2.607 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.385 -1.378 6.691 1.00 0.00 H new ATOM 0 HG LEU A 71 0.624 0.300 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.747 -0.302 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.044 -1.288 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.252 -1.981 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.364 0.492 8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.195 -1.158 8.549 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.379 0.137 8.254 1.00 0.00 H new ATOM 1097 N PHE A 72 1.850 0.267 3.370 1.00 0.00 N ATOM 1098 CA PHE A 72 2.358 1.533 2.845 1.00 0.00 C ATOM 1099 C PHE A 72 1.407 2.668 3.239 1.00 0.00 C ATOM 1100 O PHE A 72 0.194 2.552 3.060 1.00 0.00 O ATOM 1101 CB PHE A 72 2.487 1.412 1.320 1.00 0.00 C ATOM 1102 CG PHE A 72 2.916 2.690 0.630 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.212 3.202 0.835 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.015 3.375 -0.208 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.601 4.400 0.210 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.408 4.567 -0.838 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.698 5.082 -0.625 1.00 0.00 C ATOM 0 H PHE A 72 0.887 0.082 3.090 1.00 0.00 H new ATOM 0 HA PHE A 72 3.339 1.760 3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.208 0.628 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.528 1.095 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.907 2.675 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.021 2.983 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.593 4.796 0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.719 5.088 -1.486 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.996 6.003 -1.103 1.00 0.00 H new ATOM 1117 N SER A 73 1.942 3.767 3.770 1.00 0.00 N ATOM 1118 CA SER A 73 1.128 4.928 4.181 1.00 0.00 C ATOM 1119 C SER A 73 1.796 6.287 3.909 1.00 0.00 C ATOM 1120 O SER A 73 3.019 6.428 3.950 1.00 0.00 O ATOM 1121 CB SER A 73 0.747 4.791 5.663 1.00 0.00 C ATOM 1122 OG SER A 73 -0.207 5.762 6.065 1.00 0.00 O ATOM 0 H SER A 73 2.943 3.885 3.930 1.00 0.00 H new ATOM 0 HA SER A 73 0.231 4.919 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.345 3.794 5.842 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.642 4.889 6.277 1.00 0.00 H new ATOM 0 HG SER A 73 -0.787 5.984 5.307 1.00 0.00 H new ATOM 1128 N PHE A 74 0.979 7.314 3.662 1.00 0.00 N ATOM 1129 CA PHE A 74 1.434 8.686 3.403 1.00 0.00 C ATOM 1130 C PHE A 74 0.407 9.739 3.830 1.00 0.00 C ATOM 1131 O PHE A 74 -0.788 9.467 3.930 1.00 0.00 O ATOM 1132 CB PHE A 74 1.835 8.846 1.925 1.00 0.00 C ATOM 1133 CG PHE A 74 0.705 8.595 0.947 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.187 9.630 0.602 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.525 7.309 0.406 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.256 9.375 -0.273 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.539 7.056 -0.475 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.434 8.087 -0.805 1.00 0.00 C ATOM 0 H PHE A 74 -0.036 7.216 3.636 1.00 0.00 H new ATOM 0 HA PHE A 74 2.315 8.861 4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.218 9.855 1.771 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.651 8.158 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.049 10.620 1.011 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.207 6.514 0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.940 10.168 -0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.669 6.071 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.262 7.889 -1.470 1.00 0.00 H new ATOM 1148 N GLU A 75 0.896 10.956 4.077 1.00 0.00 N ATOM 1149 CA GLU A 75 0.131 12.119 4.519 1.00 0.00 C ATOM 1150 C GLU A 75 0.199 13.212 3.449 1.00 0.00 C ATOM 1151 O GLU A 75 1.282 13.690 3.100 1.00 0.00 O ATOM 1152 CB GLU A 75 0.713 12.615 5.849 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.092 13.765 6.464 1.00 0.00 C ATOM 1154 CD GLU A 75 0.528 14.179 7.797 1.00 0.00 C ATOM 1155 OE1 GLU A 75 0.233 13.537 8.830 1.00 0.00 O ATOM 1156 OE2 GLU A 75 1.367 15.103 7.814 1.00 0.00 O ATOM 0 H GLU A 75 1.888 11.165 3.968 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.916 11.853 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.749 11.786 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.740 12.943 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.109 14.615 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.127 13.457 6.614 1.00 0.00 H new ATOM 1163 N SER A 76 -0.958 13.631 2.944 1.00 0.00 N ATOM 1164 CA SER A 76 -1.079 14.679 1.927 1.00 0.00 C ATOM 1165 C SER A 76 -1.819 15.901 2.485 1.00 0.00 C ATOM 1166 O SER A 76 -2.784 15.772 3.248 1.00 0.00 O ATOM 1167 CB SER A 76 -1.787 14.128 0.682 1.00 0.00 C ATOM 1168 OG SER A 76 -1.659 15.028 -0.411 1.00 0.00 O ATOM 0 H SER A 76 -1.857 13.246 3.234 1.00 0.00 H new ATOM 0 HA SER A 76 -0.078 15.001 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.362 13.161 0.414 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.842 13.963 0.901 1.00 0.00 H new ATOM 0 HG SER A 76 -2.548 15.245 -0.762 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.369 17.098 2.088 1.00 0.00 N ATOM 1175 CA GLY A 77 -2.037 18.369 2.383 1.00 0.00 C ATOM 1176 C GLY A 77 -3.321 18.561 1.571 1.00 0.00 C ATOM 1177 O GLY A 77 -3.655 17.761 0.694 1.00 0.00 O ATOM 0 H GLY A 77 -0.514 17.211 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.274 18.413 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.353 19.192 2.175 1.00 0.00 H new ATOM 1181 N ARG A 78 -4.042 19.655 1.842 1.00 0.00 N ATOM 1182 CA ARG A 78 -5.356 19.951 1.236 1.00 0.00 C ATOM 1183 C ARG A 78 -5.341 20.237 -0.280 1.00 0.00 C ATOM 1184 O ARG A 78 -6.400 20.331 -0.901 1.00 0.00 O ATOM 1185 CB ARG A 78 -6.057 21.064 2.033 1.00 0.00 C ATOM 1186 CG ARG A 78 -5.407 22.452 1.892 1.00 0.00 C ATOM 1187 CD ARG A 78 -6.036 23.478 2.844 1.00 0.00 C ATOM 1188 NE ARG A 78 -5.621 23.256 4.245 1.00 0.00 N ATOM 1189 CZ ARG A 78 -6.281 22.607 5.199 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -7.492 22.120 5.020 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -5.711 22.418 6.367 1.00 0.00 N ATOM 0 H ARG A 78 -3.730 20.372 2.496 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.933 19.029 1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.096 21.128 1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.069 20.787 3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.339 22.375 2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.511 22.799 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.749 24.483 2.535 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.122 23.421 2.774 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.718 23.649 4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.960 22.234 4.121 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.962 21.628 5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.768 22.768 6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.211 21.921 7.104 1.00 0.00 H new ATOM 1205 N ARG A 79 -4.154 20.347 -0.885 1.00 0.00 N ATOM 1206 CA ARG A 79 -3.902 20.746 -2.279 1.00 0.00 C ATOM 1207 C ARG A 79 -3.956 19.552 -3.262 1.00 0.00 C ATOM 1208 O ARG A 79 -3.116 19.436 -4.159 1.00 0.00 O ATOM 1209 CB ARG A 79 -2.548 21.485 -2.329 1.00 0.00 C ATOM 1210 CG ARG A 79 -2.480 22.737 -1.434 1.00 0.00 C ATOM 1211 CD ARG A 79 -1.079 23.369 -1.436 1.00 0.00 C ATOM 1212 NE ARG A 79 -0.727 23.959 -2.740 1.00 0.00 N ATOM 1213 CZ ARG A 79 -1.013 25.187 -3.163 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -1.697 26.041 -2.427 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -0.607 25.579 -4.350 1.00 0.00 N ATOM 0 H ARG A 79 -3.287 20.148 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.697 21.414 -2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.759 20.795 -2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.344 21.777 -3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.209 23.470 -1.779 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.756 22.469 -0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.031 24.140 -0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.342 22.611 -1.173 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.210 23.363 -3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.025 25.767 -1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.898 26.975 -2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.075 24.942 -4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.824 26.520 -4.678 1.00 0.00 H new ATOM 1229 N CYS A 80 -4.915 18.635 -3.089 1.00 0.00 N ATOM 1230 CA CYS A 80 -5.066 17.401 -3.883 1.00 0.00 C ATOM 1231 C CYS A 80 -6.538 16.956 -4.009 1.00 0.00 C ATOM 1232 O CYS A 80 -7.425 17.539 -3.378 1.00 0.00 O ATOM 1233 CB CYS A 80 -4.164 16.308 -3.277 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.806 15.807 -1.656 1.00 0.00 S ATOM 0 H CYS A 80 -5.633 18.731 -2.370 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.745 17.595 -4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.123 15.447 -3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.145 16.681 -3.175 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.350 16.610 -0.741 1.00 0.00 H new ATOM 1240 N GLN A 81 -6.803 15.924 -4.818 1.00 0.00 N ATOM 1241 CA GLN A 81 -8.161 15.470 -5.162 1.00 0.00 C ATOM 1242 C GLN A 81 -8.971 15.006 -3.935 1.00 0.00 C ATOM 1243 O GLN A 81 -10.179 15.245 -3.867 1.00 0.00 O ATOM 1244 CB GLN A 81 -8.055 14.333 -6.197 1.00 0.00 C ATOM 1245 CG GLN A 81 -9.399 14.016 -6.881 1.00 0.00 C ATOM 1246 CD GLN A 81 -9.368 12.697 -7.655 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -10.067 11.746 -7.332 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -8.558 12.579 -8.686 1.00 0.00 N ATOM 0 H GLN A 81 -6.070 15.370 -5.261 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.702 16.320 -5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.323 14.607 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.683 13.434 -5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.185 13.972 -6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.656 14.827 -7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.970 13.364 -8.965 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.518 11.702 -9.206 1.00 0.00 H new ATOM 1257 N THR A 82 -8.309 14.367 -2.961 1.00 0.00 N ATOM 1258 CA THR A 82 -8.930 13.808 -1.747 1.00 0.00 C ATOM 1259 C THR A 82 -9.000 14.795 -0.585 1.00 0.00 C ATOM 1260 O THR A 82 -9.620 14.480 0.432 1.00 0.00 O ATOM 1261 CB THR A 82 -8.159 12.562 -1.293 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.791 12.884 -1.154 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.283 11.424 -2.304 1.00 0.00 C ATOM 0 H THR A 82 -7.300 14.219 -2.994 1.00 0.00 H new ATOM 0 HA THR A 82 -9.955 13.558 -2.020 1.00 0.00 H new ATOM 0 HB THR A 82 -8.584 12.236 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.451 12.513 -0.313 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.724 10.559 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.333 11.155 -2.422 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.881 11.746 -3.265 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.361 15.961 -0.703 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.152 16.883 0.413 1.00 0.00 C ATOM 1273 C GLY A 83 -7.135 16.333 1.421 1.00 0.00 C ATOM 1274 O GLY A 83 -6.472 15.321 1.187 1.00 0.00 O ATOM 0 H GLY A 83 -7.971 16.294 -1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.804 17.843 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.101 17.066 0.917 1.00 0.00 H new ATOM 1278 N GLN A 84 -7.010 17.021 2.556 1.00 0.00 N ATOM 1279 CA GLN A 84 -6.050 16.677 3.607 1.00 0.00 C ATOM 1280 C GLN A 84 -6.386 15.320 4.251 1.00 0.00 C ATOM 1281 O GLN A 84 -7.538 15.069 4.616 1.00 0.00 O ATOM 1282 CB GLN A 84 -6.031 17.806 4.651 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.865 17.663 5.644 1.00 0.00 C ATOM 1284 CD GLN A 84 -4.826 18.769 6.705 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -5.809 19.432 7.017 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -3.679 19.019 7.304 1.00 0.00 N ATOM 0 H GLN A 84 -7.577 17.840 2.774 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.057 16.576 3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.956 18.767 4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.974 17.808 5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.938 16.696 6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.925 17.667 5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.848 18.480 7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.622 19.752 8.011 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.380 14.451 4.415 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.549 13.146 5.064 1.00 0.00 C ATOM 1297 C GLY A 85 -4.300 12.264 5.085 1.00 0.00 C ATOM 1298 O GLY A 85 -3.313 12.528 4.395 1.00 0.00 O ATOM 0 H GLY A 85 -4.427 14.634 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.877 13.308 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.348 12.606 4.556 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.378 11.189 5.873 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.400 10.090 5.927 1.00 0.00 C ATOM 1304 C ILE A 86 -4.059 8.849 5.315 1.00 0.00 C ATOM 1305 O ILE A 86 -5.092 8.398 5.813 1.00 0.00 O ATOM 1306 CB ILE A 86 -2.948 9.817 7.382 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.293 11.057 8.032 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -1.980 8.617 7.421 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.055 10.915 9.542 1.00 0.00 C ATOM 0 H ILE A 86 -5.155 11.051 6.519 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.505 10.357 5.365 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.840 9.581 7.962 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.340 11.252 7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.927 11.926 7.854 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.669 8.434 8.449 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.482 7.732 7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.104 8.836 6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.593 11.825 9.925 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.007 10.752 10.047 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.396 10.067 9.728 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.466 8.302 4.255 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.028 7.215 3.450 1.00 0.00 C ATOM 1323 C PHE A 87 -3.107 5.991 3.510 1.00 0.00 C ATOM 1324 O PHE A 87 -1.910 6.102 3.234 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.210 7.706 2.004 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.084 8.939 1.868 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.484 8.806 1.825 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.500 10.220 1.810 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.299 9.945 1.722 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.316 11.361 1.724 1.00 0.00 C ATOM 1331 CZ PHE A 87 -6.714 11.224 1.686 1.00 0.00 C ATOM 0 H PHE A 87 -2.553 8.611 3.921 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.000 6.920 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.229 7.922 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.644 6.901 1.411 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.933 7.825 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.425 10.325 1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.373 9.839 1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.869 12.343 1.687 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.340 12.102 1.629 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.671 4.828 3.860 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.926 3.598 4.124 1.00 0.00 C ATOM 1343 C ALA A 88 -3.488 2.394 3.357 1.00 0.00 C ATOM 1344 O ALA A 88 -4.707 2.194 3.254 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.908 3.339 5.632 1.00 0.00 C ATOM 0 H ALA A 88 -4.679 4.717 3.969 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.906 3.731 3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.354 2.423 5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.427 4.175 6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.930 3.234 5.995 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.561 1.588 2.839 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.821 0.499 1.899 1.00 0.00 C ATOM 1353 C PHE A 89 -1.993 -0.747 2.237 1.00 0.00 C ATOM 1354 O PHE A 89 -0.810 -0.649 2.565 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.479 0.966 0.470 1.00 0.00 C ATOM 1356 CG PHE A 89 -3.153 2.244 0.002 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.616 3.494 0.369 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.297 2.194 -0.817 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.249 4.683 -0.030 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.922 3.386 -1.224 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.407 4.630 -0.820 1.00 0.00 C ATOM 0 H PHE A 89 -1.572 1.680 3.072 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.876 0.235 1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.400 1.104 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.741 0.167 -0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.713 3.538 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.694 1.241 -1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.844 5.638 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.801 3.346 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.902 5.543 -1.117 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.594 -1.931 2.105 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.898 -3.214 2.176 1.00 0.00 C ATOM 1373 C LYS A 90 -1.279 -3.553 0.815 1.00 0.00 C ATOM 1374 O LYS A 90 -1.949 -3.466 -0.220 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.872 -4.314 2.628 1.00 0.00 C ATOM 1376 CG LYS A 90 -3.093 -4.278 4.145 1.00 0.00 C ATOM 1377 CD LYS A 90 -4.123 -5.341 4.560 1.00 0.00 C ATOM 1378 CE LYS A 90 -4.398 -5.348 6.073 1.00 0.00 C ATOM 1379 NZ LYS A 90 -3.260 -5.894 6.860 1.00 0.00 N ATOM 0 H LYS A 90 -3.597 -2.025 1.943 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.093 -3.147 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.827 -4.189 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.481 -5.289 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.149 -4.455 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.440 -3.289 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.057 -5.163 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.765 -6.325 4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.609 -4.331 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.291 -5.941 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.498 -5.876 7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.073 -6.874 6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.413 -5.315 6.693 1.00 0.00 H new ATOM 1393 N CYS A 91 -0.010 -3.958 0.847 1.00 0.00 N ATOM 1394 CA CYS A 91 0.797 -4.366 -0.308 1.00 0.00 C ATOM 1395 C CYS A 91 2.149 -4.952 0.141 1.00 0.00 C ATOM 1396 O CYS A 91 2.844 -4.362 0.967 1.00 0.00 O ATOM 1397 CB CYS A 91 0.980 -3.181 -1.279 1.00 0.00 C ATOM 1398 SG CYS A 91 1.663 -1.727 -0.428 1.00 0.00 S ATOM 0 H CYS A 91 0.511 -4.014 1.722 1.00 0.00 H new ATOM 0 HA CYS A 91 0.268 -5.156 -0.841 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.644 -3.474 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 91 0.020 -2.925 -1.728 1.00 0.00 H new ATOM 0 HG CYS A 91 1.417 -0.659 -1.128 1.00 0.00 H new ATOM 1404 N SER A 92 2.558 -6.097 -0.407 1.00 0.00 N ATOM 1405 CA SER A 92 3.799 -6.775 0.021 1.00 0.00 C ATOM 1406 C SER A 92 5.079 -6.020 -0.398 1.00 0.00 C ATOM 1407 O SER A 92 6.075 -6.021 0.330 1.00 0.00 O ATOM 1408 CB SER A 92 3.793 -8.217 -0.513 1.00 0.00 C ATOM 1409 OG SER A 92 4.849 -9.001 0.022 1.00 0.00 O ATOM 0 H SER A 92 2.053 -6.581 -1.149 1.00 0.00 H new ATOM 0 HA SER A 92 3.817 -6.787 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.839 -8.686 -0.272 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.874 -8.199 -1.600 1.00 0.00 H new ATOM 0 HG SER A 92 4.802 -9.908 -0.346 1.00 0.00 H new ATOM 1415 N ARG A 93 5.034 -5.287 -1.522 1.00 0.00 N ATOM 1416 CA ARG A 93 6.164 -4.502 -2.052 1.00 0.00 C ATOM 1417 C ARG A 93 6.256 -3.078 -1.466 1.00 0.00 C ATOM 1418 O ARG A 93 6.910 -2.221 -2.056 1.00 0.00 O ATOM 1419 CB ARG A 93 6.142 -4.486 -3.595 1.00 0.00 C ATOM 1420 CG ARG A 93 6.174 -5.893 -4.221 1.00 0.00 C ATOM 1421 CD ARG A 93 6.523 -5.861 -5.718 1.00 0.00 C ATOM 1422 NE ARG A 93 7.976 -5.692 -5.947 1.00 0.00 N ATOM 1423 CZ ARG A 93 8.882 -6.663 -6.034 1.00 0.00 C ATOM 1424 NH1 ARG A 93 8.553 -7.933 -6.025 1.00 0.00 N ATOM 1425 NH2 ARG A 93 10.158 -6.366 -6.145 1.00 0.00 N ATOM 0 H ARG A 93 4.196 -5.221 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 93 7.072 -5.007 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.246 -3.966 -3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.997 -3.915 -3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.905 -6.506 -3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.203 -6.369 -4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.187 -6.785 -6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.983 -5.045 -6.198 1.00 0.00 H new ATOM 0 HE ARG A 93 8.317 -4.736 -6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.573 -8.205 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.277 -8.648 -6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.455 -5.390 -6.165 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.851 -7.111 -6.212 1.00 0.00 H new ATOM 1439 N ALA A 94 5.632 -2.792 -0.316 1.00 0.00 N ATOM 1440 CA ALA A 94 5.583 -1.459 0.308 1.00 0.00 C ATOM 1441 C ALA A 94 6.950 -0.753 0.448 1.00 0.00 C ATOM 1442 O ALA A 94 7.024 0.463 0.275 1.00 0.00 O ATOM 1443 CB ALA A 94 4.923 -1.613 1.682 1.00 0.00 C ATOM 0 H ALA A 94 5.133 -3.500 0.223 1.00 0.00 H new ATOM 0 HA ALA A 94 5.009 -0.813 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.871 -0.641 2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.916 -2.011 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.512 -2.297 2.294 1.00 0.00 H new ATOM 1449 N GLU A 95 8.028 -1.505 0.690 1.00 0.00 N ATOM 1450 CA GLU A 95 9.403 -0.988 0.748 1.00 0.00 C ATOM 1451 C GLU A 95 9.896 -0.445 -0.609 1.00 0.00 C ATOM 1452 O GLU A 95 10.600 0.564 -0.654 1.00 0.00 O ATOM 1453 CB GLU A 95 10.326 -2.111 1.250 1.00 0.00 C ATOM 1454 CG GLU A 95 11.766 -1.653 1.515 1.00 0.00 C ATOM 1455 CD GLU A 95 12.563 -2.768 2.211 1.00 0.00 C ATOM 1456 OE1 GLU A 95 13.065 -3.677 1.509 1.00 0.00 O ATOM 1457 OE2 GLU A 95 12.667 -2.756 3.461 1.00 0.00 O ATOM 0 H GLU A 95 7.971 -2.510 0.855 1.00 0.00 H new ATOM 0 HA GLU A 95 9.421 -0.142 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.911 -2.527 2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.339 -2.915 0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.248 -1.385 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.761 -0.758 2.137 1.00 0.00 H new ATOM 1464 N GLU A 96 9.489 -1.069 -1.720 1.00 0.00 N ATOM 1465 CA GLU A 96 9.804 -0.608 -3.076 1.00 0.00 C ATOM 1466 C GLU A 96 9.040 0.681 -3.396 1.00 0.00 C ATOM 1467 O GLU A 96 9.609 1.592 -3.993 1.00 0.00 O ATOM 1468 CB GLU A 96 9.435 -1.674 -4.120 1.00 0.00 C ATOM 1469 CG GLU A 96 10.204 -2.995 -3.976 1.00 0.00 C ATOM 1470 CD GLU A 96 11.343 -3.100 -4.999 1.00 0.00 C ATOM 1471 OE1 GLU A 96 12.441 -2.546 -4.759 1.00 0.00 O ATOM 1472 OE2 GLU A 96 11.127 -3.751 -6.049 1.00 0.00 O ATOM 0 H GLU A 96 8.925 -1.919 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 96 10.877 -0.420 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.367 -1.880 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.617 -1.269 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.611 -3.071 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.518 -3.832 -4.107 1.00 0.00 H new ATOM 1479 N ILE A 97 7.775 0.788 -2.958 1.00 0.00 N ATOM 1480 CA ILE A 97 6.973 2.012 -3.129 1.00 0.00 C ATOM 1481 C ILE A 97 7.597 3.167 -2.336 1.00 0.00 C ATOM 1482 O ILE A 97 7.790 4.247 -2.892 1.00 0.00 O ATOM 1483 CB ILE A 97 5.484 1.819 -2.739 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.894 0.494 -3.270 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.677 3.022 -3.272 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.405 0.278 -2.969 1.00 0.00 C ATOM 0 H ILE A 97 7.282 0.035 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 97 6.983 2.255 -4.192 1.00 0.00 H new ATOM 0 HB ILE A 97 5.420 1.766 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.040 0.456 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.459 -0.334 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.627 2.902 -3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.060 3.942 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.773 3.073 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.085 -0.679 -3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.248 0.278 -1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.822 1.081 -3.421 1.00 0.00 H new ATOM 1498 N PHE A 98 7.976 2.932 -1.073 1.00 0.00 N ATOM 1499 CA PHE A 98 8.655 3.908 -0.228 1.00 0.00 C ATOM 1500 C PHE A 98 9.976 4.399 -0.840 1.00 0.00 C ATOM 1501 O PHE A 98 10.188 5.610 -0.947 1.00 0.00 O ATOM 1502 CB PHE A 98 8.871 3.244 1.133 1.00 0.00 C ATOM 1503 CG PHE A 98 9.632 4.089 2.129 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.950 5.045 2.902 1.00 0.00 C ATOM 1505 CD2 PHE A 98 11.015 3.897 2.306 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.651 5.796 3.861 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.713 4.651 3.264 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.030 5.597 4.046 1.00 0.00 C ATOM 0 H PHE A 98 7.814 2.040 -0.606 1.00 0.00 H new ATOM 0 HA PHE A 98 8.043 4.804 -0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.900 2.991 1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.408 2.307 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.891 5.202 2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.540 3.169 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.128 6.529 4.458 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.774 4.503 3.399 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.564 6.171 4.789 1.00 0.00 H new ATOM 1518 N ASN A 99 10.840 3.480 -1.288 1.00 0.00 N ATOM 1519 CA ASN A 99 12.110 3.820 -1.932 1.00 0.00 C ATOM 1520 C ASN A 99 11.898 4.603 -3.238 1.00 0.00 C ATOM 1521 O ASN A 99 12.509 5.656 -3.425 1.00 0.00 O ATOM 1522 CB ASN A 99 12.921 2.541 -2.208 1.00 0.00 C ATOM 1523 CG ASN A 99 13.575 1.930 -0.968 1.00 0.00 C ATOM 1524 OD1 ASN A 99 13.794 2.584 0.046 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.952 0.666 -1.044 1.00 0.00 N ATOM 0 H ASN A 99 10.675 2.476 -1.213 1.00 0.00 H new ATOM 0 HA ASN A 99 12.665 4.463 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.264 1.799 -2.661 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.697 2.768 -2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.429 0.228 -0.256 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.766 0.128 -1.891 1.00 0.00 H new ATOM 1532 N LEU A 100 11.000 4.144 -4.117 1.00 0.00 N ATOM 1533 CA LEU A 100 10.703 4.810 -5.387 1.00 0.00 C ATOM 1534 C LEU A 100 10.115 6.211 -5.165 1.00 0.00 C ATOM 1535 O LEU A 100 10.537 7.154 -5.829 1.00 0.00 O ATOM 1536 CB LEU A 100 9.766 3.896 -6.196 1.00 0.00 C ATOM 1537 CG LEU A 100 9.374 4.438 -7.582 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.592 4.613 -8.504 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.370 3.484 -8.237 1.00 0.00 C ATOM 0 H LEU A 100 10.456 3.295 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 100 11.621 4.969 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.248 2.927 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.858 3.727 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 100 8.927 5.421 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.265 4.998 -9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.292 5.315 -8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.083 3.650 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.092 3.867 -9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.823 2.499 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.480 3.407 -7.612 1.00 0.00 H new ATOM 1551 N LEU A 101 9.205 6.372 -4.197 1.00 0.00 N ATOM 1552 CA LEU A 101 8.627 7.667 -3.841 1.00 0.00 C ATOM 1553 C LEU A 101 9.701 8.690 -3.470 1.00 0.00 C ATOM 1554 O LEU A 101 9.710 9.777 -4.047 1.00 0.00 O ATOM 1555 CB LEU A 101 7.609 7.471 -2.698 1.00 0.00 C ATOM 1556 CG LEU A 101 6.892 8.761 -2.254 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.047 9.346 -3.393 1.00 0.00 C ATOM 1558 CD2 LEU A 101 5.992 8.474 -1.046 1.00 0.00 C ATOM 0 H LEU A 101 8.848 5.599 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 101 8.111 8.071 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.861 6.745 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.125 7.042 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 101 7.654 9.490 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.553 10.255 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.691 9.581 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.295 8.618 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.490 9.392 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.247 7.726 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.598 8.100 -0.221 1.00 0.00 H new ATOM 1570 N GLN A 102 10.608 8.350 -2.545 1.00 0.00 N ATOM 1571 CA GLN A 102 11.661 9.271 -2.119 1.00 0.00 C ATOM 1572 C GLN A 102 12.703 9.516 -3.223 1.00 0.00 C ATOM 1573 O GLN A 102 13.167 10.645 -3.379 1.00 0.00 O ATOM 1574 CB GLN A 102 12.290 8.823 -0.793 1.00 0.00 C ATOM 1575 CG GLN A 102 13.084 7.511 -0.812 1.00 0.00 C ATOM 1576 CD GLN A 102 13.623 7.119 0.566 1.00 0.00 C ATOM 1577 OE1 GLN A 102 13.027 7.376 1.607 1.00 0.00 O ATOM 1578 NE2 GLN A 102 14.779 6.492 0.637 1.00 0.00 N ATOM 0 H GLN A 102 10.631 7.443 -2.079 1.00 0.00 H new ATOM 0 HA GLN A 102 11.195 10.239 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.953 9.616 -0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.494 8.727 -0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.445 6.711 -1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.917 7.607 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.291 6.269 -0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.162 6.230 1.545 1.00 0.00 H new ATOM 1587 N ASP A 103 13.016 8.501 -4.037 1.00 0.00 N ATOM 1588 CA ASP A 103 13.945 8.604 -5.167 1.00 0.00 C ATOM 1589 C ASP A 103 13.452 9.598 -6.235 1.00 0.00 C ATOM 1590 O ASP A 103 14.235 10.409 -6.739 1.00 0.00 O ATOM 1591 CB ASP A 103 14.159 7.216 -5.806 1.00 0.00 C ATOM 1592 CG ASP A 103 15.109 6.287 -5.027 1.00 0.00 C ATOM 1593 OD1 ASP A 103 15.970 6.777 -4.262 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.029 5.054 -5.247 1.00 0.00 O ATOM 0 H ASP A 103 12.622 7.567 -3.926 1.00 0.00 H new ATOM 0 HA ASP A 103 14.890 8.980 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.192 6.724 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.552 7.352 -6.814 1.00 0.00 H new ATOM 1599 N LEU A 104 12.153 9.565 -6.556 1.00 0.00 N ATOM 1600 CA LEU A 104 11.546 10.434 -7.567 1.00 0.00 C ATOM 1601 C LEU A 104 11.404 11.889 -7.098 1.00 0.00 C ATOM 1602 O LEU A 104 11.505 12.793 -7.928 1.00 0.00 O ATOM 1603 CB LEU A 104 10.181 9.862 -7.981 1.00 0.00 C ATOM 1604 CG LEU A 104 10.257 8.524 -8.745 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.868 7.888 -8.820 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.822 8.690 -10.165 1.00 0.00 C ATOM 0 H LEU A 104 11.489 8.928 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 104 12.216 10.455 -8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.573 9.722 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.668 10.594 -8.605 1.00 0.00 H new ATOM 0 HG LEU A 104 10.939 7.877 -8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.929 6.944 -9.361 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.496 7.705 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.187 8.561 -9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.854 7.719 -10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.184 9.366 -10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.829 9.103 -10.110 1.00 0.00 H new ATOM 1618 N MET A 105 11.210 12.131 -5.795 1.00 0.00 N ATOM 1619 CA MET A 105 11.120 13.495 -5.245 1.00 0.00 C ATOM 1620 C MET A 105 12.485 14.132 -4.944 1.00 0.00 C ATOM 1621 O MET A 105 12.584 15.359 -4.989 1.00 0.00 O ATOM 1622 CB MET A 105 10.185 13.547 -4.027 1.00 0.00 C ATOM 1623 CG MET A 105 10.700 12.782 -2.814 1.00 0.00 C ATOM 1624 SD MET A 105 9.797 13.034 -1.263 1.00 0.00 S ATOM 1625 CE MET A 105 8.064 12.883 -1.776 1.00 0.00 C ATOM 0 H MET A 105 11.111 11.395 -5.095 1.00 0.00 H new ATOM 0 HA MET A 105 10.683 14.107 -6.034 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.029 14.589 -3.747 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.213 13.144 -4.311 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.686 11.718 -3.049 1.00 0.00 H new ATOM 0 HG3 MET A 105 11.742 13.059 -2.652 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.469 12.508 -0.943 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.688 13.860 -2.080 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.992 12.190 -2.614 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.026 5.752 2.933 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.050 5.974 4.380 1.00 0.00 C ATOM 2021 C PHE A 136 -8.957 6.966 4.811 1.00 0.00 C ATOM 2022 O PHE A 136 -7.786 6.796 4.459 1.00 0.00 O ATOM 2023 CB PHE A 136 -9.927 4.635 5.129 1.00 0.00 C ATOM 2024 CG PHE A 136 -10.399 4.703 6.573 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -9.601 5.310 7.565 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -11.648 4.161 6.934 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.073 5.416 8.886 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.110 4.255 8.257 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.326 4.889 9.234 1.00 0.00 C ATOM 0 HA PHE A 136 -11.009 6.421 4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -10.506 3.878 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -8.886 4.311 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -8.625 5.695 7.310 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.255 3.670 6.188 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.468 5.905 9.635 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.070 3.839 8.523 1.00 0.00 H new ATOM 0 HZ PHE A 136 -11.686 4.971 10.249 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.350 7.976 5.599 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.465 9.000 6.167 1.00 0.00 C ATOM 2041 C ARG A 137 -8.195 8.687 7.644 1.00 0.00 C ATOM 2042 O ARG A 137 -9.088 8.828 8.485 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.095 10.396 6.006 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.193 10.823 4.535 1.00 0.00 C ATOM 2045 CD ARG A 137 -9.959 12.145 4.386 1.00 0.00 C ATOM 2046 NE ARG A 137 -10.259 12.461 2.977 1.00 0.00 N ATOM 2047 CZ ARG A 137 -11.237 11.943 2.237 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -12.013 10.970 2.666 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -11.450 12.420 1.033 1.00 0.00 N ATOM 0 H ARG A 137 -10.325 8.106 5.867 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.516 8.995 5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.091 10.396 6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.501 11.126 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.192 10.932 4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -9.694 10.044 3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.890 12.089 4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -9.372 12.954 4.821 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.655 13.147 2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.877 10.583 3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.751 10.603 2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -10.870 13.178 0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.196 12.032 0.455 1.00 0.00 H new ATOM 2063 N LEU A 138 -6.975 8.252 7.968 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.545 7.972 9.345 1.00 0.00 C ATOM 2065 C LEU A 138 -6.290 9.282 10.111 1.00 0.00 C ATOM 2066 O LEU A 138 -5.803 10.260 9.539 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.279 7.087 9.337 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.414 5.704 8.669 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.034 5.038 8.626 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.371 4.782 9.433 1.00 0.00 C ATOM 0 H LEU A 138 -6.247 8.081 7.274 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.342 7.432 9.856 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.483 7.634 8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -4.959 6.939 10.368 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.817 5.858 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.117 4.058 8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.348 5.660 8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.654 4.922 9.641 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.433 3.820 8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.000 4.633 10.447 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.361 5.237 9.472 1.00 0.00 H new ATOM 2082 N ARG A 139 -6.594 9.288 11.415 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.310 10.416 12.325 1.00 0.00 C ATOM 2084 C ARG A 139 -4.852 10.444 12.811 1.00 0.00 C ATOM 2085 O ARG A 139 -4.306 11.512 13.088 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.250 10.352 13.536 1.00 0.00 C ATOM 2087 CG ARG A 139 -8.696 10.715 13.159 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.590 10.794 14.403 1.00 0.00 C ATOM 2089 NE ARG A 139 -10.980 11.131 14.042 1.00 0.00 N ATOM 2090 CZ ARG A 139 -11.962 10.284 13.753 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.789 8.978 13.757 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -13.155 10.749 13.447 1.00 0.00 N ATOM 0 H ARG A 139 -7.050 8.502 11.878 1.00 0.00 H new ATOM 0 HA ARG A 139 -6.477 11.331 11.756 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.227 9.349 13.961 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -6.894 11.034 14.308 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -8.709 11.672 12.637 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.093 9.970 12.469 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.570 9.840 14.930 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.198 11.545 15.089 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.213 12.124 14.011 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.876 8.585 13.988 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.568 8.360 13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.322 11.755 13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -13.912 10.103 13.224 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.225 9.272 12.893 1.00 0.00 N ATOM 2107 CA HIS A 140 -2.835 9.052 13.316 1.00 0.00 C ATOM 2108 C HIS A 140 -2.059 8.189 12.299 1.00 0.00 C ATOM 2109 O HIS A 140 -2.634 7.333 11.620 1.00 0.00 O ATOM 2110 CB HIS A 140 -2.838 8.401 14.709 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.369 9.302 15.792 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.631 10.282 16.458 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.644 9.295 16.282 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -3.481 10.841 17.337 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -4.696 10.269 17.252 1.00 0.00 N ATOM 0 H HIS A 140 -4.696 8.399 12.654 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.322 10.013 13.363 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -3.440 7.493 14.676 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -1.821 8.101 14.963 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.453 8.651 15.969 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.224 11.639 18.018 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.514 10.515 17.810 1.00 0.00 H new ATOM 2123 N PHE A 141 -0.748 8.420 12.183 1.00 0.00 N ATOM 2124 CA PHE A 141 0.103 7.778 11.179 1.00 0.00 C ATOM 2125 C PHE A 141 0.467 6.330 11.593 1.00 0.00 C ATOM 2126 O PHE A 141 0.958 6.145 12.712 1.00 0.00 O ATOM 2127 CB PHE A 141 1.334 8.668 10.955 1.00 0.00 C ATOM 2128 CG PHE A 141 2.041 8.380 9.652 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.559 8.947 8.458 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.168 7.541 9.625 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.190 8.661 7.237 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.809 7.267 8.405 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.311 7.816 7.210 1.00 0.00 C ATOM 0 H PHE A 141 -0.243 9.065 12.791 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.431 7.680 10.234 1.00 0.00 H new ATOM 0 HB2 PHE A 141 1.027 9.714 10.972 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.032 8.527 11.780 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.702 9.604 8.481 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.541 7.107 10.541 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.814 9.090 6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.684 6.635 8.385 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.791 7.587 6.270 1.00 0.00 H new ATOM 2143 N PRO A 142 0.227 5.304 10.743 1.00 0.00 N ATOM 2144 CA PRO A 142 0.322 3.898 11.144 1.00 0.00 C ATOM 2145 C PRO A 142 1.724 3.280 10.998 1.00 0.00 C ATOM 2146 O PRO A 142 2.049 2.352 11.738 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.677 3.175 10.237 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.577 3.962 8.933 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.387 5.400 9.423 1.00 0.00 C ATOM 0 HA PRO A 142 0.108 3.803 12.208 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.413 2.127 10.098 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.687 3.198 10.647 1.00 0.00 H new ATOM 0 HG2 PRO A 142 0.261 3.628 8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.476 3.856 8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 142 0.248 5.963 8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.342 5.923 9.475 1.00 0.00 H new ATOM 2157 N CYS A 143 2.553 3.766 10.065 1.00 0.00 N ATOM 2158 CA CYS A 143 3.857 3.176 9.744 1.00 0.00 C ATOM 2159 C CYS A 143 4.981 3.758 10.617 1.00 0.00 C ATOM 2160 O CYS A 143 5.052 4.973 10.813 1.00 0.00 O ATOM 2161 CB CYS A 143 4.151 3.399 8.252 1.00 0.00 C ATOM 2162 SG CYS A 143 2.954 2.512 7.211 1.00 0.00 S ATOM 0 H CYS A 143 2.333 4.590 9.506 1.00 0.00 H new ATOM 0 HA CYS A 143 3.819 2.108 9.956 1.00 0.00 H new ATOM 0 HB2 CYS A 143 4.115 4.465 8.026 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.161 3.058 8.022 1.00 0.00 H new ATOM 0 HG CYS A 143 3.229 2.723 5.958 1.00 0.00 H new ATOM 2168 N GLY A 144 5.899 2.910 11.097 1.00 0.00 N ATOM 2169 CA GLY A 144 7.029 3.338 11.936 1.00 0.00 C ATOM 2170 C GLY A 144 8.125 4.075 11.161 1.00 0.00 C ATOM 2171 O GLY A 144 8.701 5.042 11.661 1.00 0.00 O ATOM 0 H GLY A 144 5.881 1.906 10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.657 3.988 12.728 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.463 2.463 12.419 1.00 0.00 H new ATOM 2175 N ASN A 145 8.402 3.665 9.920 1.00 0.00 N ATOM 2176 CA ASN A 145 9.515 4.184 9.112 1.00 0.00 C ATOM 2177 C ASN A 145 9.166 5.503 8.389 1.00 0.00 C ATOM 2178 O ASN A 145 9.152 5.580 7.162 1.00 0.00 O ATOM 2179 CB ASN A 145 9.989 3.109 8.132 1.00 0.00 C ATOM 2180 CG ASN A 145 10.467 1.838 8.825 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.492 1.821 9.496 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.736 0.744 8.693 1.00 0.00 N ATOM 0 H ASN A 145 7.853 2.953 9.439 1.00 0.00 H new ATOM 0 HA ASN A 145 10.332 4.429 9.791 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.174 2.861 7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.800 3.511 7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 145 10.024 -0.120 9.151 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.884 0.765 8.133 1.00 0.00 H new ATOM 2189 N VAL A 146 8.861 6.541 9.165 1.00 0.00 N ATOM 2190 CA VAL A 146 8.543 7.898 8.674 1.00 0.00 C ATOM 2191 C VAL A 146 9.780 8.559 8.050 1.00 0.00 C ATOM 2192 O VAL A 146 10.870 8.544 8.625 1.00 0.00 O ATOM 2193 CB VAL A 146 7.966 8.801 9.796 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.857 10.286 9.402 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.561 8.336 10.190 1.00 0.00 C ATOM 0 H VAL A 146 8.825 6.469 10.182 1.00 0.00 H new ATOM 0 HA VAL A 146 7.776 7.787 7.907 1.00 0.00 H new ATOM 0 HB VAL A 146 8.671 8.711 10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.446 10.855 10.236 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.846 10.670 9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.202 10.386 8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.172 8.981 10.978 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.904 8.387 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.606 7.308 10.551 1.00 0.00 H new ATOM 2205 N ASN A 147 9.571 9.193 6.897 1.00 0.00 N ATOM 2206 CA ASN A 147 10.509 10.079 6.208 1.00 0.00 C ATOM 2207 C ASN A 147 9.750 11.287 5.609 1.00 0.00 C ATOM 2208 O ASN A 147 8.536 11.237 5.389 1.00 0.00 O ATOM 2209 CB ASN A 147 11.308 9.265 5.170 1.00 0.00 C ATOM 2210 CG ASN A 147 12.510 10.011 4.585 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.981 11.009 5.117 1.00 0.00 O ATOM 2212 ND2 ASN A 147 13.063 9.540 3.481 1.00 0.00 N ATOM 0 H ASN A 147 8.692 9.097 6.389 1.00 0.00 H new ATOM 0 HA ASN A 147 11.235 10.497 6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.657 8.344 5.637 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.641 8.978 4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.876 10.007 3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.677 8.710 3.032 1.00 0.00 H new ATOM 2219 N TYR A 148 10.457 12.399 5.389 1.00 0.00 N ATOM 2220 CA TYR A 148 9.890 13.710 5.043 1.00 0.00 C ATOM 2221 C TYR A 148 10.236 14.141 3.606 1.00 0.00 C ATOM 2222 O TYR A 148 11.356 13.924 3.132 1.00 0.00 O ATOM 2223 CB TYR A 148 10.384 14.752 6.061 1.00 0.00 C ATOM 2224 CG TYR A 148 10.209 14.354 7.518 1.00 0.00 C ATOM 2225 CD1 TYR A 148 8.932 14.023 8.011 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.326 14.286 8.374 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.769 13.604 9.347 1.00 0.00 C ATOM 2228 CE2 TYR A 148 11.168 13.883 9.714 1.00 0.00 C ATOM 2229 CZ TYR A 148 9.889 13.537 10.204 1.00 0.00 C ATOM 2230 OH TYR A 148 9.742 13.142 11.501 1.00 0.00 O ATOM 0 H TYR A 148 11.475 12.414 5.448 1.00 0.00 H new ATOM 0 HA TYR A 148 8.803 13.634 5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.441 14.947 5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 148 9.853 15.688 5.888 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.072 14.091 7.361 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.306 14.544 8.001 1.00 0.00 H new ATOM 0 HE1 TYR A 148 7.790 13.335 9.714 1.00 0.00 H new ATOM 0 HE2 TYR A 148 12.026 13.838 10.368 1.00 0.00 H new ATOM 0 HH TYR A 148 10.615 13.152 11.947 1.00 0.00 H new